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#!/usr/bin/env python import os import re import sys import time import pysam import align import random import argparse import logging import subprocess import itertools import traceback import cPickle as pickle import multiprocessing as mp import numpy as np import scipy.stats as ss from uuid import uuid4 from string import maketrans from operator import itemgetter from collections import Counter from collections import OrderedDict as od from collections import defaultdict as dd from bx.intervals.intersection import Intersecter, Interval # pip install bx-python import profile ####################################### ## Classes ## ####################################### class Genome: def __init__(self, gfn): ''' gfn = genome file name (.fai or chrom, length tsv) ''' self.chrlen = {} # length of each chromosome self.chrmap = [] # used for picking chromosomes self.bp = 0 bins = 100000 with open(gfn, 'r') as g: for line in g: if not line.startswith('#'): chrom, length = line.strip().split()[:2] self.chrlen[chrom] = int(length) self.bp += int(length) for chrom, length in self.chrlen.iteritems(): self.chrmap += [chrom] * int(float(length) / float(self.bp) * bins) def pick(self): ''' return a random chromosome and position ''' rchrom = random.choice(self.chrmap) rpos = int(random.uniform(1, self.chrlen[rchrom])) return rchrom, rpos def addpad(self, interval, pad): ''' pad interval such that it doesn't go out of bounds ''' chrom, start, end = interval start = int(start) - int(pad) end = int(end) + int(pad) assert chrom in self.chrlen, "error padding interval %s, %s not a known chromosome" % (str(interval), chrom) if start < 0: start = 0 if end > self.chrlen[chrom]: end = self.chrlen[chrom] return (chrom, start, end) def chunk(self, n, seed=None, sorted=False, pad=0): ''' break genome into n evenly-sized chunks, return n lists of (chrom, start, end) ''' chunklen = int(self.bp/n) chunks = [] intervals = [] chunkleft = chunklen # track how much genome needs to go into each chunk chromlist = self.chrlen.keys() if sorted: chromlist.sort() else: if seed is not None: random.seed(seed) random.shuffle(chromlist) for chrom in chromlist: length = self.chrlen[chrom] lenleft = length if length <= chunkleft: chunkleft -= length lenleft -= length intervals.append( self.addpad((chrom, 0, length), pad) ) assert lenleft == 0 if chunkleft == 0: chunkleft = chunklen chunks.append(intervals) intervals = [] else: while lenleft > 0: if lenleft >= chunkleft: intervals.append( self.addpad((chrom, length-lenleft, length-lenleft+chunkleft), pad) ) lenleft -= chunkleft chunkleft = chunklen chunks.append(intervals) intervals = [] else: # lenleft < chunkleft intervals.append( self.addpad((chrom, length-lenleft, length), pad) ) chunkleft -= lenleft lenleft -= lenleft return list(itertools.chain.from_iterable(chunks)) # flatten list class LASTResult: def __init__(self, res): self.raw = res self.score = int(res[0].split()[1].replace('score=', '')) self.target_id = res[1].split()[1] self.target_start = int(res[1].split()[2]) self.target_alnsize = int(res[1].split()[3]) self.target_end = self.target_start + self.target_alnsize self.target_strand = res[1].split()[4] self.target_seqsize = int(res[1].split()[5]) self.target_align = res[1].split()[6] self.query_id = res[2].split()[1] self.query_distnum = 0 if '|' in self.query_id: self.query_id = res[2].split()[1].split('|')[0] self.query_distnum = int(res[2].split()[1].split('|')[-1]) # track which distal read this came from self.query_start = int(res[2].split()[2]) self.query_alnsize = int(res[2].split()[3]) self.query_end = self.query_start + self.query_alnsize self.query_strand = res[2].split()[4] self.query_seqsize = int(res[2].split()[5]) self.query_align = res[2].split()[6] def pct_match(self): return float(sum([a.upper()==b.upper() for a,b in zip(list(self.query_align), list(self.target_align))])) / float(self.query_alnsize) def __lt__(self, other): return self.score > other.score def __gt__(self, other): return self.score < other.score def __str__(self): return "\n".join(self.raw) class SortableRead: def __init__(self, read): self.read = read self.seq = read.seq self.seqstart = read.reference_start-read.query_alignment_start def __gt__(self, other): if self.read.tid == other.read.tid: return self.seqstart > other.seqstart else: return self.read.tid > other.read.tid class SplitRead: ''' store information about split read alignment ''' def __init__(self, chrom, read, bamfn): self.uuid = str(uuid4()) self.chrom = chrom self.read = read self.bamfn = os.path.basename(bamfn) self.cliplen = len(read.seq) - len(read.query_alignment_sequence) self.breakleft = False self.breakright = False self.breakpos = None if read.qstart < read.rlen - read.qend: self.breakpos = read.get_reference_positions()[-1] # breakpoint on right self.breakright = True else: self.breakpos = read.get_reference_positions()[0] # breakpoint on left self.breakleft = True assert self.breakpos is not None assert self.breakleft != self.breakright def getRG(self): ''' return read group from RG aux tag ''' for tag, val in self.read.tags: if tag == 'RG': return val return None def __gt__(self, other): ''' enables sorting of SplitRead objects ''' if self.chrom == other.chrom: return self.breakpos > other.breakpos else: return self.chrom > other.chrom def __str__(self): dir = 'left' if self.breakright: dir='right' return ' '.join(map(str, ('SplitRead:', self.chrom, self.breakpos, self.cliplen, self.read.qname, dir))) class DiscoRead: ''' store information about discordant pair alignment ''' def __init__(self, chrom, read, bamfn, mate_chrom=None): self.chrom = chrom self.read = read self.bamfn = os.path.basename(bamfn) self.mate_chrom = mate_chrom # can be None self.mate_read = None # set later def mate_mapped(self): return self.mate_read is not None and not self.mate_read.is_unmapped def getRG(self): ''' return read group from RG aux tag ''' for tag, val in self.read.tags: if tag == 'RG': return val return None def __gt__(self, other): if self.mate_mapped() and other.mate_mapped(): return self.mate_read.get_reference_positions()[0] > other.mate_read.get_reference_positions()[0] else: return self.read.get_reference_positions()[0] > other.read.get_reference_positions()[0] def __str__(self): return ' '.join(map(str, (self.chrom, self.read, self.mate_chrom, self.mate_start))) class ReadCluster: ''' parent class for read clusters ''' def __init__(self, firstread=None): self.uuid = str(uuid4()) self.reads = [] self.start = 0 self.end = 0 self.median = 0 self.chrom = None if firstread is not None: self.add_read(firstread) def add_read(self, r): ''' add a read and update ''' self.reads.append(r) if self.chrom is None: self.chrom = r.chrom assert self.chrom == r.chrom # clusters can't include > 1 chromosome ''' update statistics ''' positions = [] positions += [pos for r in self.reads for pos in r.read.positions] self.reads.sort() self.start = max(positions) self.end = min(positions) self.median = int(np.median(positions)) def readgroups(self): c = Counter([r.getRG() for r in self.reads]) return [str(k[0]) + '|' + str(k[1]) for k in zip(c.keys(), c.values())] def bamfiles(self): c = Counter([r.bamfn for r in self.reads]) return [str(k[0]) + '|' + str(k[1]) for k in zip(c.keys(), c.values())] def find_extrema(self): ''' return leftmost and rightmost aligned positions in cluster vs. reference ''' positions = [] positions += [pos for r in self.reads for pos in r.read.positions] return min(positions), max(positions) def avg_matchpct(self): return np.mean([read_matchpct(r.read) for r in self.reads]) def __len__(self): return len(self.reads) class SplitCluster(ReadCluster): ''' store and manipulate groups of SplitRead objects ''' def add_splitread(self, sr): ''' add a SplitRead and update ''' self.reads.append(sr) if self.chrom is None: self.chrom = sr.chrom assert self.chrom == sr.chrom # clusters can't include > 1 chromosome ''' update statistics ''' self.reads.sort() self.start = self.reads[0].breakpos self.end = self.reads[-1].breakpos self.median = self.reads[len(self)/2].breakpos def subcluster_by_breakend(self, breakends, direction='both'): ''' return a new cluster containing only reads with breakpoints in passed list ''' new = SplitCluster() assert direction in ('both', 'left', 'right') if direction == 'both': [new.add_splitread(sr) for sr in self.reads if sr.breakpos in breakends] if direction == 'left': [new.add_splitread(sr) for sr in self.reads if sr.breakpos in breakends and sr.breakleft] if direction == 'right': [new.add_splitread(sr) for sr in self.reads if sr.breakpos in breakends and sr.breakright] return new def consensus(self, minscore = 0.9): ''' build consensus from sorted aligned reads iteratively ''' S = -np.ones((256, 256)) + 2 * np.identity(256) S = S.astype(np.int16) sortable_reads = [SortableRead(sr.read) for sr in self.reads] seqs = [sorted_read.seq for sorted_read in sorted(sortable_reads)] cons = seqs[0] scores = [] for seq in seqs[1:]: s1 = align.string_to_alignment(cons) s2 = align.string_to_alignment(seq) (s, a1, a2) = align.align(s1, s2, -2, -2, S, local=True) a1 = align.alignment_to_string(a1) a2 = ''.join([b for b in list(align.alignment_to_string(a2)) if b != '-']) score = float(len(a1) - (len(a1)-s)) / float(len(a1)) scores.append(score) # print('%s\n%s\nScore: %f' % (a1, a2, score)) if score < minscore and len(cons) == len(seq): cons = seq if score >= minscore: align_end = locate_subseq(seq, a2)[1] cons += seq[align_end:] return cons, np.mean(score) def all_breakpoints(self): ''' returns uniquified list of breakpoints ''' return list(set([read.breakpos for read in self.reads])) def median_D(self): return np.median([splitqual(sr.read) for sr in self.reads]) def min_cliplen(self): return min([sr.cliplen for sr in self.reads]) def max_cliplen(self): return max([sr.cliplen for sr in self.reads]) def __str__(self): break_count = Counter([read.breakpos for read in self.reads]) return '\t'.join(map(str, ('SplitCluster:', self.chrom, self.start, self.end, len(self.reads), break_count))) class DiscoCluster(ReadCluster): ''' store and manipulate groups of DiscoRead objects ''' def overlap_insertion(self, insertion): iv_ins = [insertion.min_supporting_base(), insertion.max_supporting_base()] iv_dsc = self.find_extrema() return min(iv_ins[1], iv_dsc[1]) - max(iv_ins[0], iv_dsc[0]) > 0 def find_mate_extrema(self): ''' return leftmost and rightmost aligned positions in cluster vs. reference ''' positions = [] for r in self.reads: if r.mate_mapped(): positions += [pos for pos in r.mate_read.positions] if len(positions) == 0: return -1, -1 return min(positions), max(positions) def summary_tuple(self): return (self.reads[0].mate_chrom, self.find_mate_extrema()[0], self.find_mate_extrema()[1], self.readgroups(), self.bamfiles()) class BreakEnd: ''' coallate information about a breakend ''' def __init__(self, chrom, breakpos, cluster, consensus, score, direction): self.uuid = str(uuid4()) self.cluster = cluster self.chrom = chrom self.breakpos = breakpos self.consensus = consensus self.consscore = score self.direction = direction self.mappings = [] def microhomology(self): pass # placeholder def proximal_subread(self): ''' return mapping(s) containing breakpoint ''' return [read for read in self.mappings if self.breakpos in read.get_reference_positions()] def distal_subread(self): ''' return mapping(s) not containing breakpoint ''' return [read for read in self.mappings if not read.is_unmapped and self.breakpos not in read.get_reference_positions()] def unmapped_subread(self): ''' returns list of intervals and corresponding subseqs ''' covered_bases = [] for subseq in map(lambda x : x.query_alignment_sequence, self.mappings): subseq = orient_subseq(self.consensus, subseq) covered_bases += range(*locate_subseq(self.consensus, subseq)) subseqs = [] intervals = [] interval = [] subseq = [] for p, b in enumerate(list(self.consensus)): if p not in covered_bases: if len(interval) > 0 and interval[-1]+1 < p: intervals.append( (min(interval), max(interval)) ) subseqs.append(''.join(subseq)) interval = [] subseq = [] else: interval.append(p) subseq.append(b) if len(interval) > 0: intervals.append( (min(interval), max(interval)) ) subseqs.append(''.join(subseq)) return intervals, subseqs def __len__(self): return len(self.cluster) def __str__(self): return '%s:%d:%s:%s' % (self.chrom, self.breakpos, self.consensus, self.direction) class Insertion: ''' store and compile information about an insertion with 1 or 2 breakpoints ''' def __init__(self, be1=None, be2=None): self.uuid = str(uuid4()) self.be1 = None self.be2 = None if be1 is not None: self.be1 = be1 if be2 is not None: self.be2 = be2 self.be1_alt = None self.be2_alt = None self.be1_improved_cons = False self.be2_improved_cons = False if self.paired(): if self.be1.breakpos > self.be2.breakpos: self.be1, self.be2 = self.be2, self.be1 # keep breakends in position order self.info = od() # set with self.compile_info() self.discoreads = [] #self.dr_clusters = [] self.fastqrecs = [] self.mappability = None def __len__(self): ''' return total number of reads (sr+dr) associated with insertion ''' return self.num_sr() + len(self.discoreads) def num_sr(self): ''' return number of split reads supporting insertion ''' l = 0 if self.be1 is not None: l += len(self.be1.cluster) if self.be2 is not None: l += len(self.be2.cluster) return l def paired(self): return None not in (self.be1, self.be2) def breakend_overlap(self): if not self.paired(): return None if len(self.be1.proximal_subread()) == 0 or len(self.be2.proximal_subread()) == 0: return None return ref_dist(self.be1.proximal_subread()[0], self.be2.proximal_subread()[0]) def min_supporting_base(self): ''' return leftmost supporting reference position covered ''' sites = [] for be in (self.be1, self.be2): if be is not None: if len(be.proximal_subread()) > 0: for proxread in be.proximal_subread(): sites += proxread.get_reference_positions() if len(sites) == 0: return None return min(sites) def max_supporting_base(self): ''' return rightmost supporting reference position covered ''' sites = [] for be in (self.be1, self.be2): if be is not None: if len(be.proximal_subread()) > 0: for proxread in be.proximal_subread(): sites += proxread.get_reference_positions() if len(sites) == 0: return None return max(sites) def tsd(self, be1_use_prox=0, be2_use_prox=0): ''' target site duplication ''' if not self.paired(): return None if self.breakend_overlap() > 0: return None else: if len(self.be1.proximal_subread()) == 0 or len(self.be2.proximal_subread()) == 0: return None junc1 = self.be1.proximal_subread()[be1_use_prox] junc2 = self.be2.proximal_subread()[be2_use_prox] tsd_ref_interval = ref_overlap(junc1, junc2) if tsd_ref_interval is None: return None tsd_ref_interval[1] += 1 tsdseq1 = '' tsdseq2 = '' #for (qrypos, refpos) in junc1.get_aligned_pairs(): # broken by pysam 8.3 for qrypos, refpos in enumerate(junc1.get_reference_positions()): if refpos in range(*tsd_ref_interval): if qrypos is not None: tsdseq1 += junc1.seq[qrypos+junc1.qstart] #for (qrypos, refpos) in junc2.get_aligned_pairs(): # broken by pysam 8.3 for qrypos, refpos in enumerate(junc2.get_reference_positions()): if refpos in range(*tsd_ref_interval): if qrypos is not None: tsdseq2 += junc2.seq[qrypos+junc2.qstart] return tsdseq1, tsdseq2 def fetch_discordant_reads(self, bams, isize=10000): ''' Return list of DiscoRead objects ''' chrom = self.be1.chrom start = self.min_supporting_base() end = self.max_supporting_base() if None in (start, end): return [] assert start < end, 'fetch_discordant_reads: start > end' mapped = {} unmapped = {} for bam in bams: for read in bam.fetch(chrom, start, end): if read.is_paired and not read.is_unmapped and not read.is_duplicate: chrom = str(bam.getrname(read.tid)) if read.mate_is_unmapped: unmapped[read.qname] = DiscoRead(chrom, read, bam.filename) else: pair_dist = abs(read.reference_start - read.next_reference_start) if read.tid != read.next_reference_id or pair_dist > isize: mate_chrom = str(bam.getrname(read.next_reference_id)) mapped[read.qname] = DiscoRead(chrom, read, bam.filename, mate_chrom) # get mate info # mate mapped for qname, dr in mapped.iteritems(): for read in bam.fetch(dr.mate_chrom, dr.read.next_reference_start, dr.read.next_reference_start+1): if read.qname == qname and not read.is_secondary and not is_supplementary(read): if read.seq != mapped[qname].read.seq: mapped[qname].mate_read = read # mate unmapped for read in bam.fetch(chrom, start, end): if read.is_unmapped and read.qname in unmapped: if not read.is_secondary and not is_supplementary(read): unmapped[read.qname].mate_read = read self.discoreads = mapped.values() + unmapped.values() def align_filter(self, insref_fa, tmpdir='/tmp'): ''' check whether insertion consensus aligns to ''' if not os.path.exists(insref_fa + '.tis'): build_last_db(insref_fa) out_fa = '%s/tebreak.align_filter.%s.fa' % (tmpdir, str(uuid4())) d1, d2, u1, u2 = (None, None, None, None) if self.be1 is not None: d1 = self.be1.distal_subread() # pysam.AlignedSegment or None u1 = self.be1.unmapped_subread()[1] # seq strings or None if d1 is not None: d1 = map(lambda x: x.seq, d1) if self.be2 is not None: d2 = self.be2.distal_subread() u2 = self.be2.unmapped_subread()[1] if d2 is not None: d2 = map(lambda x: x.seq, d2) seqsizes = [20] with open(out_fa, 'w') as fa: for seqlist in (d1, d2, u1, u2): if seqlist is not None: for seq in seqlist: if len(seq) >= 10: seqsizes.append(len(seq)) fa.write('>%s\n%s\n' % (str(uuid4()), seq)) la_results = align_last(out_fa, insref_fa, e=min(seqsizes)-2) os.remove(out_fa) if len(la_results) == 0: return True return False def improve_consensus(self, ctg_fa, bwaref, tmpdir='/tmp'): ''' attempt to use assembly of all supporting reads to build a better consensus ''' cons_fasta = self.consensus_fasta(tmpdir) ctg_falib = load_falib(ctg_fa) build_last_db(ctg_fa) la_results = align_last(cons_fasta, ctg_fa, e=20) if self.be1 is not None: # find corresponding contig, if possible for res in la_results: if res.query_id == self.be1.uuid: # criteria for deciding the new consensus is better if res.target_seqsize > len(self.be1.consensus) and len(self.be1.consensus) - res.query_alnsize < 10 and res.pct_match() > 0.95: self.be1_alt = self.be1 self.be1.consensus = ctg_falib[res.target_id] self.be1_improved_cons = True if self.be2 is not None: # find corresponding contig, if possible for res in la_results: if res.query_id == self.be2.uuid: # criteria for deciding the new consensus is better if res.target_seqsize > len(self.be2.consensus) and len(self.be2.consensus) - res.query_alnsize < 10 and res.pct_match() > 0.95: self.be2_alt = self.be2 self.be2.consensus = ctg_falib[res.target_id] self.be2_improved_cons = True for ext in ('','.amb','.ann','.bck','.bwt','.des','.fai','.pac','.prj','.sa','.sds','.ssp','.suf','.tis'): if os.path.exists(ctg_fa+ext): os.remove(ctg_fa+ext) if os.path.exists(cons_fasta): os.remove(cons_fasta) return self.be1_improved_cons, self.be2_improved_cons def supportreads_fastq(self, outdir, min_readlen=50, limit=1000): ''' discordant support reads marked DR, split support reads marked SR ''' assert os.path.exists(outdir) outreads = od() usedreads = {} out_fastq = outdir + '/' + '.'.join(('supportreads', self.be1.chrom, str(self.be1.breakpos), 'fq')) with open(out_fastq, 'w') as out: for readstore in (self.be1, self.be2, self.discoreads): if readstore: try: rtype = 'SR' readlist = readstore.cluster.reads except: rtype = 'DR' readlist = readstore for r in readlist: read = r.read name = read.qname unseen = True if read.is_read1: if name + '/1' in usedreads: unseen = False usedreads[name + '/1'] = True name += '.%s/1' % rtype if read.is_read2: if name + '/2' in usedreads: unseen = False usedreads[name + '/2'] = True name += '.%s/2' % rtype if len(read.seq) > min_readlen and unseen: outreads[name] = read.seq + '\n+\n' + read.qual if rtype == 'DR' and r.mate_read is not None: # get discordant mates read = r.mate_read unseen = True if read.is_read1: if name + '/1' in usedreads: unseen = False usedreads[name + '/1'] = True name += '.%s/1' % rtype if read.is_read2: if name + '/2' in usedreads: unseen = False usedreads[name + '/2'] = True name += '.%s/2' % rtype if len(read.seq) > min_readlen and unseen: outreads[name] = read.seq + '\n+\n' + read.qual if len(outreads) >= limit or len(outreads) == 0: return None for name, data in outreads.iteritems(): out.write('@%s\n%s\n' % (name, data)) self.fastqrecs.append('@%s\n%s\n' % (name, data)) return out_fastq def consensus_fasta(self, tmpdir='/tmp'): assert os.path.exists(tmpdir) out_fasta = tmpdir + '/' + '.'.join(('consensus', self.be1.chrom, str(self.be1.breakpos), str(uuid4()), 'fa')) with open(out_fasta, 'w') as out: out.write('>%s\n%s\n' % (self.be1.uuid, self.be1.consensus)) if self.be2 is not None: out.write('>%s\n%s\n' % (self.be2.uuid, self.be2.consensus)) return out_fasta def compile_info(self, bams): ''' fill self.info with summary info, needs original bam for chromosome lookup ''' if self.be1 == None and self.be2 == None: return None self.info['ins_uuid'] = self.uuid self.info['chrom'] = self.be1.chrom self.info['min_supporting_base'] = self.min_supporting_base() self.info['max_supporting_base'] = self.max_supporting_base() self.info['mappability'] = self.mappability self.info['be1_breakpos'] = self.be1.breakpos self.info['be1_obj_uuid'] = self.be1.uuid #seqs self.info['be1_cons_seq'] = self.be1.consensus self.info['be1_prox_seq'] = ','.join(map(lambda x : x.query_alignment_sequence, self.be1.proximal_subread())) self.info['be1_dist_seq'] = ','.join(map(lambda x : x.query_alignment_sequence, self.be1.distal_subread())) self.info['be1_umap_seq'] = ','.join(self.be1.unmapped_subread()[1]) if self.be1.proximal_subread() and self.be1.proximal_subread()[0].is_reverse: self.info['be1_prox_str'] = '-' else: self.info['be1_prox_str'] = '+' self.info['be1_prox_loc'] = [] for subseq in self.info['be1_prox_seq'].split(','): self.info['be1_prox_loc'].append(locate_subseq(self.be1.consensus, orient_subseq(self.be1.consensus, subseq))) # stats self.info['be1_sr_count'] = len(self.be1) self.info['be1_num_maps'] = len(self.be1.mappings) self.info['be1_cons_scr'] = self.be1.consscore self.info['be1_median_D'] = self.be1.cluster.median_D() self.info['be1_avgmatch'] = self.be1.cluster.avg_matchpct() self.info['be1_rg_count'] = self.be1.cluster.readgroups() self.info['be1_bf_count'] = self.be1.cluster.bamfiles() self.info['be1_prox_mpq'] = ','.join(map(lambda x : str(x.mapq), self.be1.proximal_subread())) self.info['be1_improved'] = self.be1_improved_cons if self.info['be1_dist_seq'] == '': self.info['be1_dist_seq'] = None else: self.info['be1_dist_chr'] = ','.join(map(lambda x : bams[0].getrname(x.tid), self.be1.distal_subread())) self.info['be1_dist_pos'] = ','.join(map(lambda x : str(x.get_reference_positions()[0]), self.be1.distal_subread())) self.info['be1_dist_end'] = ','.join(map(lambda x : str(x.get_reference_positions()[-1]), self.be1.distal_subread())) self.info['be1_dist_mpq'] = ','.join(map(lambda x : str(x.mapq), self.be1.distal_subread())) if self.info['be1_umap_seq'] == '': self.info['be1_umap_seq'] = None if self.be2 is not None: self.info['be2_breakpos'] = self.be2.breakpos self.info['be2_obj_uuid'] = self.be2.uuid self.info['be2_cons_seq'] = self.be2.consensus self.info['be2_prox_seq'] = ','.join(map(lambda x : x.query_alignment_sequence, self.be2.proximal_subread())) self.info['be2_dist_seq'] = ','.join(map(lambda x : x.query_alignment_sequence, self.be2.distal_subread())) self.info['be2_umap_seq'] = ','.join(self.be2.unmapped_subread()[1]) if self.be2.proximal_subread() and self.be2.proximal_subread()[0].is_reverse: self.info['be2_prox_str'] = '-' else: self.info['be2_prox_str'] = '+' self.info['be2_prox_loc'] = [] for subseq in self.info['be2_prox_seq'].split(','): self.info['be2_prox_loc'].append(locate_subseq(self.be2.consensus, orient_subseq(self.be2.consensus, subseq))) # stats self.info['be2_sr_count'] = len(self.be2) self.info['be2_num_maps'] = len(self.be2.mappings) self.info['be2_cons_scr'] = self.be2.consscore self.info['be2_median_D'] = self.be2.cluster.median_D() self.info['be2_avgmatch'] = self.be2.cluster.avg_matchpct() self.info['be2_rg_count'] = self.be2.cluster.readgroups() self.info['be2_bf_count'] = self.be2.cluster.bamfiles() self.info['be2_prox_mpq'] = ','.join(map(lambda x : str(x.mapq), self.be2.proximal_subread())) self.info['be2_improved'] = self.be2_improved_cons if self.info['be2_dist_seq'] == '': self.info['be2_dist_seq'] = None else: self.info['be2_dist_chr'] = ','.join(map(lambda x: bams[0].getrname(x.tid), self.be2.distal_subread())) self.info['be2_dist_pos'] = ','.join(map(lambda x: str(x.get_reference_positions()[0]), self.be2.distal_subread())) self.info['be2_dist_end'] = ','.join(map(lambda x: str(x.get_reference_positions()[-1]), self.be2.distal_subread())) self.info['be2_dist_mpq'] = ','.join(map(lambda x : str(x.mapq), self.be2.distal_subread())) if self.info['be2_umap_seq'] == '': self.info['be2_umap_seq'] = None self.info['be1_use_prox'] = 0 self.info['be2_use_prox'] = 0 if self.info['be1_prox_loc'] == self.info['be2_prox_loc']: # insertion may be completely assembled if len(self.info['be1_prox_loc']) > 1: self.info['be1_use_prox'] = 1 elif len(self.info['be2_prox_loc']) > 1: self.info['be2_use_prox'] = 1 tsdpair = self.tsd(be1_use_prox=self.info['be1_use_prox'], be2_use_prox=self.info['be2_use_prox']) if tsdpair is not None: self.info['be1_end_over'], self.info['be2_end_over'] = tsdpair if 'be2_breakpos' not in self.info: self.info['be2_breakpos'] = self.info['be1_breakpos'] if 'be2_sr_count' not in self.info: self.info['be2_sr_count'] = 0 self.info['dr_count'] = len(self.discoreads) self.info['dr_unmapped_mates'] = len([dr for dr in self.discoreads if dr.mate_read is not None and dr.mate_read.is_unmapped]) ####################################### ## Functions ## ####################################### def rc(dna): ''' reverse complement ''' complements = maketrans('acgtrymkbdhvACGTRYMKBDHV', 'tgcayrkmvhdbTGCAYRKMVHDB') return dna.translate(complements)[::-1] def read_matchpct(read): ''' return number of mismatches / aligned length of read ''' nm = [value for (tag, value) in read.tags if tag == 'NM'][0] return 1.0 - (float(nm)/float(read.alen)) def ref_overlap(read1, read2): ''' return overlapping interval in ref. coords (not chrom), none otherwise ''' if read1 is None or read2 is None: return None if read1.is_unmapped or read2.is_unmapped: return None iv1 = sorted((read1.get_reference_positions()[0], read1.get_reference_positions()[-1])) iv2 = sorted((read2.get_reference_positions()[0], read2.get_reference_positions()[-1])) if min(iv1[1], iv2[1]) - max(iv1[0], iv2[0]) > 0: # is there overlap? return [max(iv1[0], iv2[0]), min(iv1[1], iv2[1])] return None def ref_dist(read1, read2): ''' return distance between intervals in ref., overlapping = negative values ''' if read1 is None or read2 is None: return None iv1 = sorted((read1.get_reference_positions()[0], read1.get_reference_positions()[-1])) iv2 = sorted((read2.get_reference_positions()[0], read2.get_reference_positions()[-1])) return max(iv1[0], iv2[0]) - min(iv1[1], iv2[1]) def orient_subseq(longseq, shortseq): ''' return shortseq in same orientation as longseq ''' assert len(longseq) >= len(shortseq), 'orient_subseq: %s < %s' % (longseq, shortseq) if re.search(shortseq, longseq): return shortseq else: assert re.search(rc(shortseq), longseq), "orient_subseq: %s not a subseq of %s" %(shortseq, longseq) return rc(shortseq) def locate_subseq(longseq, shortseq): ''' return (start, end) of shortseq in longseq ''' assert len(longseq) >= len(shortseq), 'orient_subseq: %s < %s' % (longseq, shortseq) match = re.search(shortseq, longseq) if match is not None: return sorted((match.start(0), match.end(0))) return None def is_primary(read): ''' not included in pysam ''' return not (read.is_secondary or is_supplementary(read)) def is_supplementary(read): ''' pysam does not currently include a check for this flag ''' return bin(read.flag & 2048) == bin(2048) def fetch_clipped_reads(bams, chrom, start, end, filters): ''' Return list of SplitRead objects ''' assert filters['min_minclip'] > 2 splitreads = [] start = int(start) end = int(end) assert start < end for bam in bams: for read in bam.fetch(chrom, start, end): masked = False if filters['genome_mask'] is not None and chrom in filters['genome_mask']: if filters['genome_mask'][chrom].find(read.pos, read.pos+1): masked = True if not masked and not read.is_unmapped and not read.is_duplicate: #and read.mapq > 0: if read.rlen - read.alen >= int(filters['min_minclip']): # 'soft' clipped? # length of 'minor' clip altclip = min(read.qstart, read.rlen-read.qend) # junk bases N_count = 0 if 'N' in read.seq: N_count = Counter(read.seq)['N'] if altclip <= 2: # could add as a filter if N_count <= filters['max_N_consensus'] and splitqual(read) <= filters['max_D_score']: chrom = str(bam.getrname(read.tid)) if len(read.get_reference_positions()) > 0: splitreads.append(SplitRead(chrom, read, bam.filename)) return splitreads def splitqual(read): ''' return KS-test D value for clipped vs. unclipped bases''' breakpos = None breakpos = read.get_aligned_pairs()[-1][0] # breakpoint on right q1 = map(ord, list(read.qual[:breakpos])) q2 = map(ord, list(read.qual[breakpos:])) return ss.ks_2samp(q1, q2)[0] def load_falib(infa): seqdict = {} with open(infa, 'r') as fa: seqid = '' seq = '' for line in fa: if line.startswith('>'): if seq != '': seqdict[seqid] = seq seqid = line.lstrip('>').strip().split()[0] seq = '' else: assert seqid != '' seq = seq + line.strip() if seqid not in seqdict and seq != '': seqdict[seqid] = seq return seqdict def build_sr_clusters(splitreads, searchdist=100): # TODO PARAM, ''' cluster SplitRead objects into Cluster objects and return a list of them ''' clusters = [] for sr in splitreads: if len(clusters) == 0: clusters.append(SplitCluster(sr)) elif clusters[-1].chrom != sr.chrom: clusters.append(SplitCluster(sr)) else: if abs(clusters[-1].median - sr.breakpos) > searchdist: clusters.append(SplitCluster(sr)) else: clusters[-1].add_splitread(sr) return clusters def build_breakends(cluster, filters, tmpdir='/tmp'): ''' returns list of breakends from cluster ''' breakends = [] for breakpos in cluster.all_breakpoints(): for dir in ('left', 'right'): subcluster = cluster.subcluster_by_breakend([breakpos], direction=dir) if len(subcluster) >= filters['min_sr_per_break'] and subcluster.max_cliplen() >= filters['min_maxclip']: seq = subcluster.reads[0].read.seq score = 1.0 if len(subcluster) > 1: seq, score = subcluster.consensus() N_count = 0 if 'N' in seq: N_count = Counter(seq)['N'] if seq != '' and score >= filters['min_consensus_score'] and N_count <= filters['max_N_consensus']: breakends.append(BreakEnd(cluster.chrom, breakpos, subcluster, seq, score, dir)) return breakends def map_breakends(breakends, db, tmpdir='/tmp'): ''' remap consensus sequences stored in BreakEnd objects ''' tmp_fa = tmpdir + '/' + '.'.join(('tebreak', str(uuid4()), 'be.fa')) breakdict = {} # for faster lookup with open(tmp_fa, 'w') as out: for be in breakends: be.mappings = [] breakdict[be.uuid] = be qual = 'I' * len(be.consensus) out.write('>%s\n%s\n+\n%s\n' % (be.uuid, be.consensus, qual)) tmp_sam = '.'.join(tmp_fa.split('.')[:-1]) + '.sam' FNULL = open(os.devnull, 'w') with open(tmp_sam, 'w') as out: sam_cmd = ['bwa', 'mem', '-k', '10', '-w', '500', '-M', '-v', '0', db, tmp_fa] p = subprocess.Popen(sam_cmd, stdout=subprocess.PIPE, stderr=FNULL) for line in p.stdout: out.write(line) sam = pysam.AlignmentFile(tmp_sam) passed_parse = False # rarely, pysam will fail to parse the bwa-mem generated SAM and I haven't worked out why... workaround for now while not passed_parse: try: for i, read in enumerate(sam.fetch(until_eof=True)): breakdict[read.qname].mappings.append(read) passed_parse = True except IOError as e: sys.stderr.write("warning: pysam failed parse at read %d, modifying file and re-try...\n" % i) sam.close() lines = [] with open(tmp_sam, 'r') as sam: lines = [line for line in sam] with open(tmp_sam, 'w') as sam: for n, line in enumerate(lines): if line.startswith('@'): n -= 1 # header if n < i: sam.write(line) sam = pysam.AlignmentFile(tmp_sam) sam.close() os.remove(tmp_fa) os.remove(tmp_sam) return breakdict.values() def build_last_db(fa): ''' make db for LAST alignments ''' subprocess.call(['lastdb', '-s', '4G', fa, fa]) assert os.path.exists(fa + '.tis'), 'could not lastdb -4G %s %s' % (fa, fa) def align_last(fa, db, e=20): ''' returns list of LASTResult objects ''' assert os.path.exists(db + '.tis'), 'not a lastdb: %s' % db last_cmd = ['lastal', '-e', str(e), db, fa] la_lines = [] la_results = [] p = subprocess.Popen(last_cmd, stdout=subprocess.PIPE) for line in p.stdout: if not line.startswith('#'): if line.strip() != '': la_lines.append(line.strip()) else: la_results.append(LASTResult(la_lines)) la_lines = [] return la_results def score_breakend_pair(be1, be2, k=2.5, s=3.0): ''' assign a score to a breakend, higher is "better" ''' prox1 = be1.proximal_subread() prox2 = be2.proximal_subread() if prox1 and prox2: prox1 = prox1[0] prox2 = prox2[0] overlap = abs(min(0, ref_dist(prox1, prox2))) # overlap = negative distance between proximal read mappings i.e. potential TSD weighted_overlap = ss.gamma(k, scale=s).pdf(overlap) * float(overlap)**2 # TSD length distribution taken into account distance_penalty = 0 if overlap > 0: distance_penalty = abs(abs(be1.breakpos-be2.breakpos) - overlap) # disagreement in TSD length if overlap == 0: distance_penalty = abs(be1.breakpos-be2.breakpos) # no TSD score = weighted_overlap - distance_penalty + len(be1) + len(be2) return score return None def checkref(ref_fasta): assert os.path.exists(ref_fasta), 'reference not found: %s' % ref_fasta assert os.path.exists(ref_fasta + '.fai'), 'please run samtools faidx on %s' % ref_fasta assert os.path.exists(ref_fasta + '.bwt'), 'please run bwa index on %s' % ref_fasta def build_insertions(breakends, maxdist=100): ''' return list of Insertion objects ''' insertions = [] be_dict = dict([(be.uuid, be) for be in breakends]) be_itree = Intersecter() # interval tree for be in breakends: be_itree.add_interval(Interval(be.breakpos-maxdist, be.breakpos+maxdist, value=be.uuid)) pair_scores = [] checked_pairs = {} for be1 in breakends: for be2_coords in be_itree.find(be1.breakpos, be1.breakpos+1): be2 = be_dict[be2_coords.value] pair_name = '-'.join(sorted((be1.uuid, be2.uuid))) if be1.uuid != be2.uuid and be1.direction != be2.direction and pair_name not in checked_pairs: if abs(be1.breakpos-be2.breakpos) <= maxdist: pair_scores.append((be1.uuid, be2.uuid, score_breakend_pair(be1, be2))) checked_pairs[pair_name] = True # sort breakends by score, descending pair_scores = [score for score in pair_scores if score[2] is not None] pair_scores.sort(key=itemgetter(2),reverse=True) used = {} # each breakend can only be used once for be1_uuid, be2_uuid, score in pair_scores: if be1_uuid not in used and be2_uuid not in used: insertions.append(Insertion(be_dict[be1_uuid], be_dict[be2_uuid])) #print "debug:, insertion: %s and %s" % (be_dict[be1_uuid], be_dict[be2_uuid]) used[be1_uuid] = True used[be2_uuid] = True # single-end detections for be in breakends: if be.uuid not in used: insertions.append(Insertion(be)) used[be.uuid] = True return insertions def minia(fq, tmpdir='/tmp'): ''' sequence assembly ''' # minia temp files don't seem to be compatabile with concurrency, workaround w/ temp cwd oldcwd = os.getcwd() tmpcwd = '%s/%s' % (tmpdir, 'tebreak.'+str(uuid4())) os.mkdir(tmpcwd) assert os.path.exists(tmpcwd), 'cannot create temp dir: %s' % tmpcwd os.chdir(tmpcwd) if not os.path.exists(fq): fq = oldcwd + '/' + fq ctgbase = tmpdir + '/tebreak.minia.%s' % str(uuid4()) cmd = ['minia', '-in', fq, '-abundance-min', '1', '-no-length-cutoff', '-verbose', '0', '-nb-cores', '1', '-out', ctgbase] FNULL = open(os.devnull, 'w') p = subprocess.Popen(cmd, stdout=subprocess.PIPE, stderr=FNULL) for line in p.stdout: pass if os.path.exists(ctgbase + '.h5'): os.remove(ctgbase + '.h5') os.chdir(oldcwd) os.rmdir(tmpcwd) return ctgbase + '.contigs.fa' def build_mask(bedfile): ''' return a dictionary of interval trees ''' forest = dd(Intersecter) with open(bedfile, 'r') as bed: for line in bed: chrom, start, end = line.strip().split()[:3] start = int(start) end = int(end) forest[chrom].add_interval(Interval(start, end)) return forest def avgmap(maptabix, chrom, start, end): ''' return average mappability across chrom:start-end region; maptabix = pysam.Tabixfile''' scores = [] if None in (start, end): return None if chrom in maptabix.contigs: for rec in maptabix.fetch(chrom, int(start), int(end)): mchrom, mstart, mend, mscore = rec.strip().split() mstart, mend = int(mstart), int(mend) mscore = float(mscore) while mstart < mend and mstart: mstart += 1 if mstart >= int(start) and mstart <= int(end): scores.append(mscore) if len(scores) > 0: return sum(scores) / float(len(scores)) else: return 0.0 else: return 0.0 def summarise_insertion(ins): ''' returns a pickleable version of the insertion information ''' pi = dd(dict) pi['INFO'] = ins.info pi['READSTORE'] = ins.fastqrecs return pi def filter_insertions(insertions, filters, tmpdir='/tmp'): filtered = [] for ins in insertions: exclude = False mapq = map(lambda x : str(x.mapq), ins.be1.proximal_subread()) rgs = [rg.split('|')[0] for rg in ins.be1.cluster.readgroups()] bams = [bam.split('|')[0] for bam in ins.be1.cluster.bamfiles()] if ins.be2 is not None and len(ins.be2.proximal_subread()) > 0: mapq += map(lambda x : str(x.mapq), ins.be2.proximal_subread()) rgs += [rg.split('|')[0] for rg in ins.be2.cluster.readgroups()] bams += [bam.split('|')[0] for bam in ins.be2.cluster.bamfiles()] bams = list(set(bams)) # uniqify if len(ins) >= filters['max_ins_reads']: exclude = True if max(mapq) < filters['min_prox_mapq']: exclude = True if ins.num_sr() < filters['min_split_reads']: exclude = True if filters['exclude_bam']: for bam in bams: if bam in filters['exclude_bam']: exclude = True if filters['exclude_readgroup']: for rg in rgs: if rg in filters['exclude_rg']: exclude = True if filters['max_bam_count'] > 0: if len(bams) > filters['max_bam_count']: exclude = True if filters['insertion_library'] is not None and not exclude: if ins.align_filter(filters['insertion_library'], tmpdir=tmpdir): exclude = True if filters['map_tabix'] is not None and not exclude: if ins.be1.chrom in filters['map_tabix'].contigs: ins.mappability = avgmap(filters['map_tabix'], ins.be1.chrom, ins.min_supporting_base(), ins.max_supporting_base()) else: ins.mappability = 0.0 if ins.mappability < filters['min_mappability']: exclude = True if not exclude: filtered.append(ins) return filtered def postprocess_insertions(insertions, filters, bwaref, bams, tmpdir='/tmp'): for ins in insertions: support_fq = ins.supportreads_fastq(tmpdir, limit=filters['max_ins_reads']) if support_fq is None: return insertions cwd = os.getcwd() support_asm = minia(support_fq, tmpdir=tmpdir) retry_counter = 0 # minia might not be the most reliable option... while not os.path.exists(support_asm) and retry_counter < 10: retry_counter += 1 sys.stderr.write('***Assembly retry: %s:%d\n' % (ins.be1.chrom, ins.be1.breakpos)) support_asm = minia(support_fq, tmpdir=tmpdir) if not os.path.exists(support_asm): sys.stderr.write('***Assembly failed!: %s:%d\n' % (ins.be1.chrom, ins.be1.breakpos)) else: #sys.stderr.write('Assembled: %s:%d, filename: %s\n' % (ins.be1.chrom, ins.be1.breakpos, support_asm)) ins.improve_consensus(support_asm, bwaref, tmpdir=tmpdir) if os.path.exists(support_fq): os.remove(support_fq) if os.path.exists(support_asm): os.remove(support_asm) if os.getcwd() != cwd: os.chdir(cwd) # collect altered breakends alt_be_list = [] for ins in insertions: if ins.be1_improved_cons: alt_be_list.append(ins.be1) if ins.be2_improved_cons: alt_be_list.append(ins.be2) remap_be_dict = {} for be in map_breakends(alt_be_list, bwaref, tmpdir=tmpdir): remap_be_dict[be.uuid] = be for ins in insertions: # use previous mapping if new consensus did not map if ins.be1_improved_cons: if ins.be1.uuid in remap_be_dict: if len(remap_be_dict[ins.be1.uuid].proximal_subread()) > 0: ins.be1 = remap_be_dict[ins.be1.uuid] else: ins.be1 = ins.be1_alt ins.be1_improved_cons = False if ins.be2_improved_cons: if ins.be2.uuid in remap_be_dict: if len(remap_be_dict[ins.be2.uuid].proximal_subread()) > 0: ins.be2 = remap_be_dict[ins.be2.uuid] else: ins.be2 = ins.be2_alt ins.be2_improved_cons = False if ins.be1_improved_cons or ins.be2_improved_cons: ins.compile_info(bams) return insertions def run_chunk(args, exp_rpkm, chrom, start, end): logger = logging.getLogger(__name__) logger.setLevel(logging.DEBUG) chunkname = '%s:%d-%d' % (chrom, start, end) try: bams = [pysam.AlignmentFile(bam, 'rb') for bam in args.bam.split(',')] # would do this outside but can't pass a non-pickleable object if args.mask is not None: args.mask = build_mask(args.mask) if args.map_tabix is not None: args.map_tabix = pysam.Tabixfile(args.map_tabix) start = int(start) end = int(end) filters = { 'min_maxclip': int(args.min_maxclip), 'min_minclip': int(args.min_minclip), 'min_sr_per_break': int(args.min_sr_per_break), 'min_consensus_score': int(args.min_consensus_score), 'max_D_score': float(args.maxD), 'max_ins_reads': int(args.max_ins_reads), 'min_split_reads': int(args.min_split_reads), #'min_discordant_reads': int(args.min_discordant_reads), 'min_prox_mapq': int(args.min_prox_mapq), 'max_N_consensus': int(args.max_N_consensus), 'max_rpkm': int(args.max_fold_rpkm)*exp_rpkm, 'exclude_bam': [], 'exclude_readgroup': [], 'max_bam_count': int(args.max_bam_count), 'insertion_library': args.insertion_library, 'genome_mask': args.mask, 'map_tabix': args.map_tabix, 'min_mappability': float(args.min_mappability) } if args.exclude_bam is not None: filters['exclude_bam'] = map(os.path.basename, args.exclude_bam.split(',')) if args.exclude_readgroup is not None: filters['exclude_readgroup'] = args.exclude_readgroup.split(',') insertions = [] logger.debug('Processing chunk: %s ...' % chunkname) logger.debug('Chunk %s: Parsing split reads from bam(s): %s ...' % (chunkname, args.bam)) sr = fetch_clipped_reads(bams, chrom, start, end, filters) sr.sort() logger.debug('Chunk %s: Building clusters from %d split reads ...' % (chunkname, len(sr))) clusters = build_sr_clusters(sr) logger.debug('Chunk %s: Building breakends...' % chunkname) breakends = [] for cluster in clusters: cl_readcount = 0 cl_min, cl_max = cluster.find_extrema() for bam in bams: cl_readcount += sum([not read.is_unmapped for read in bam.fetch(cluster.chrom, cl_min, cl_max)]) rpkm = cl_readcount/((cl_max-cl_min)/1000.) if filters['max_rpkm'] == 0 or rpkm < filters['max_rpkm']: breakends += build_breakends(cluster, filters, tmpdir=args.tmpdir) else: logger.debug('Chunk %s, cluster %d-%d over max RPKM with %f' % (chunkname, cl_min, cl_max, rpkm)) logger.debug('Chunk %s: Mapping %d breakends ...' % (chunkname, len(breakends))) if len(breakends) > 0: breakends = map_breakends(breakends, args.bwaref, tmpdir=args.tmpdir) logger.debug('Chunk %s: Building insertions...' % chunkname) insertions = build_insertions(breakends) insertions = [ins for ins in insertions if len(ins.be1.proximal_subread()) > 0] # remove bogus insertions logger.debug('Chunk %s: Processing and filtering %d potential insertions ...' % (chunkname, len(insertions))) insertions = filter_insertions(insertions, filters, tmpdir=args.tmpdir) for ins in insertions: ins.fetch_discordant_reads(bams) ins.compile_info(bams) logger.debug('Chunk %s: Postprocessing %d filtered insertions, trying to improve consensus breakend sequences ...' % (chunkname, len(insertions))) processed_insertions = postprocess_insertions(insertions, filters, args.bwaref, bams, tmpdir=args.tmpdir) logger.debug('Chunk %s: Summarising insertions ...' % chunkname) summarised_insertions = [summarise_insertion(ins) for ins in processed_insertions] logger.debug('Finished chunk: %s' % chunkname) for bam in bams: bam.close() return summarised_insertions else: for bam in bams: bam.close() return [] except Exception, e: sys.stderr.write('*'*60 + '\tencountered error in chunk: %s\n' % chunkname) traceback.print_exc(file=sys.stderr) sys.stderr.write("*"*60 + "\n") return [] def resolve_duplicates(insertions): ''' resolve instances where breakpoints occur > 1x in the insertion list ''' ''' this can happen if intervals overlap, e.g. in genome chunking ''' insdict = od() # --> index in insertions for n, ins in enumerate(insertions): be1 = ins['INFO']['chrom'] + ':' + str(ins['INFO']['be1_breakpos']) be2 = ins['INFO']['chrom'] + ':' + str(ins['INFO']['be2_breakpos']) if be1 not in insdict: insdict[be1] = n insdict[be2] = n else: if prefer_insertion(ins, insertions[insdict[be1]]): insdict[be1] = n insdict[be2] = n return [insertions[n] for n in list(set(insdict.values()))] def prefer_insertion(ins1, ins2): ''' return true if ins1 has more evidence than ins2, false otherwise ''' # prefer two-end support over one end if ins1['INFO']['be1_breakpos'] != ins1['INFO']['be2_breakpos'] and ins2['INFO']['be1_breakpos'] == ins2['INFO']['be2_breakpos']: return True # prefer higher split read count if ins1['INFO']['be1_sr_count'] + ins1['INFO']['be2_sr_count'] > ins2['INFO']['be1_sr_count'] + ins2['INFO']['be2_sr_count']: return True # prefer higher discordant read count if ins1['INFO']['dr_count'] > ins2['INFO']['dr_count']: return True return False def text_summary(insertions, outfile='tebreak.out'): with open(outfile, 'w') as out: for ins in insertions: if ins is not None: out.write('#BEGIN\n') for label, value in ins['INFO'].iteritems(): out.write('%s: %s\n' % (label, str(value))) out.write('#END\n') out.write('\n') def expected_rpkm(bam_files, genome, intervals=None): ''' expected reads per kilobase mapped ''' bams = [pysam.AlignmentFile(bam_file, 'rb') for bam_file in bam_files] total_mapped_reads = sum([bam.mapped for bam in bams]) km = genome.bp/1000. if intervals is not None: total_length = 0 total_mapped_reads = 0 with open(intervals, 'r') as bed: for line in bed: chrom, start, end = line.strip().split()[:3] start = int(start) end = int(end) total_length += end - start for bam in bams: total_mapped_reads += sum([not read.is_unmapped for read in bam.fetch(chrom, start, end)]) km = total_length/1000. for bam in bams: bam.close() return total_mapped_reads/km def main(args): ''' housekeeping ''' logger = logging.getLogger(__name__) logger.setLevel(logging.DEBUG) logger.debug("commandline: %s" % ' '.join(sys.argv)) checkref(args.bwaref) if not args.no_shared_mem: logger.debug("loading bwa index %s into shared memory ..." % args.bwaref) p = subprocess.Popen(['bwa', 'shm', args.bwaref], stdout=subprocess.PIPE, stderr=subprocess.PIPE) for line in p.stdout: pass # wait for bwa to load logger.debug("loaded.") ''' Chunk genome or use input BED ''' procs = int(args.processes) chunk_count = int(args.chunks) if chunk_count < procs: chunks = procs pool = mp.Pool(processes=procs) genome = Genome(args.bwaref + '.fai') chunks = [] exp_rpkm = 0 if args.interval_bed is None or args.wg_rpkm: if args.interval_bed is None: chunks = genome.chunk(chunk_count, sorted=True, pad=5000) if not args.no_rpkm: if args.rpkm_bam: exp_rpkm = expected_rpkm(args.rpkm_bam.split(','), genome) else: exp_rpkm = expected_rpkm(args.bam.split(','), genome) else: if args.rpkm_bam: exp_rpkm = expected_rpkm(args.rpkm_bam.split(','), genome, intervals=args.interval_bed) else: exp_rpkm = expected_rpkm(args.bam.split(','), genome, intervals=args.interval_bed) if args.interval_bed is not None: with open(args.interval_bed, 'r') as bed: chunks = [(line.strip().split()[0], int(line.strip().split()[1]), int(line.strip().split()[2])) for line in bed] logger.debug("chunk count: %d" % len(chunks)) if not args.no_rpkm and exp_rpkm < 10: sys.stderr.write("expected RPKM is less than 10, ignoring high RPKM cutoffs...\n") exp_rpkm = 0 reslist = [] for chunk in chunks: # run_chunk(args, exp_rpkm, chunk[0], chunk[1], chunk[2]) # uncomment for mp debug res = pool.apply_async(run_chunk, [args, exp_rpkm, chunk[0], chunk[1], chunk[2]]) reslist.append(res) insertions = [] for res in reslist: insertions += res.get() insertions = resolve_duplicates(insertions) text_summary(insertions, outfile=args.detail_out) pickoutfn = re.sub('.bam$', '.tebreak.pickle', os.path.basename(args.bam)) if args.pickle is not None: pickoutfn = args.pickle with open(pickoutfn, 'w') as pickout: pickle.dump(insertions, pickout) #if not args.no_shared_mem: # sys.stderr.write("unloading bwa index %s from shared memory ...\n" % args.bwaref) # p = subprocess.Popen(['bwa', 'shm', '-d'], stdout=subprocess.PIPE, stderr=subprocess.PIPE) # for line in p.stdout: pass # wait for bwa to unload logger.debug('Pickled to %s' % pickoutfn) if __name__ == '__main__': # set up logger FORMAT = '%(asctime)s %(message)s' logging.basicConfig(format=FORMAT) parser = argparse.ArgumentParser(description='Find inserted sequences vs. reference') parser.add_argument('-b', '--bam', required=True, help='target BAM(s): can be comma-delimited list') parser.add_argument('-r', '--bwaref', required=True, help='bwa/samtools indexed reference genome') parser.add_argument('-p', '--processes', default=1, help='split work across multiple processes') parser.add_argument('-c', '--chunks', default=1, help='split genome into chunks (default = # processes), helps control memory usage') parser.add_argument('-i', '--interval_bed', default=None, help='BED file with intervals to scan') parser.add_argument('-D', '--maxD', default=0.8, help='maximum value of KS D statistic for split qualities (default = 0.8)') parser.add_argument('--min_minclip', default=3, help='min. shortest clipped bases per cluster (default = 3)') parser.add_argument('--min_maxclip', default=10, help='min. longest clipped bases per cluster (default = 10)') parser.add_argument('--min_sr_per_break', default=1, help='minimum split reads per breakend (default = 1)') parser.add_argument('--min_consensus_score', default=0.95, help='quality of consensus alignment (default = 0.95)') parser.add_argument('-m', '--mask', default=None, help='BED file of masked regions') parser.add_argument('--rpkm_bam', default=None, help='use alternate BAM(s) for RPKM calculation: use original BAMs if using reduced BAM(s) for -b/--bam') parser.add_argument('--max_fold_rpkm', default=10, help='ignore insertions supported by rpkm*max_fold_rpkm reads (default = 10)') parser.add_argument('--max_ins_reads', default=1000, help='maximum number of reads per insertion call (default = 1000)') parser.add_argument('--min_split_reads', default=4, help='minimum total split reads per insertion call (default = 4)') #parser.add_argument('--min_discordant_reads', default=4, help='minimum discordant read count (default = 4)') parser.add_argument('--min_prox_mapq', default=10, help='minimum map quality for proximal subread (default = 10)') parser.add_argument('--max_N_consensus', default=4, help='exclude breakend seqs with > this number of N bases (default = 4)') parser.add_argument('--exclude_bam', default=None, help='may be comma delimited') parser.add_argument('--exclude_readgroup', default=None, help='may be comma delimited') parser.add_argument('--max_bam_count', default=0, help='maximum number of bams supporting per insertion') parser.add_argument('--insertion_library', default=None, help='for pre-selecting insertion types') parser.add_argument('--map_tabix', default=None, help='tabix-indexed BED of mappability scores') parser.add_argument('--min_mappability', default=0.5, help='minimum mappability (default = 0.5; only matters with --map_tabix)') parser.add_argument('--tmpdir', default='/tmp', help='temporary directory (default = /tmp)') parser.add_argument('--pickle', default=None, help='pickle output name') parser.add_argument('--detail_out', default='tebreak.out', help='file to write detailed output') parser.add_argument('--wg_rpkm', default=False, action='store_true', help='force calculate rpkm over whole genome') parser.add_argument('--no_rpkm', default=False, action='store_true', help='do not filter sites by rpkm') parser.add_argument('--no_shared_mem', default=False, action='store_true') args = parser.parse_args() main(args)
ValentinaPeona/tebreak
tebreak/tebreak.py
Python
mit
65,229
[ "BWA", "pysam" ]
a6c13c8390811d9959ed894184ae7a60c9af3fac7a2ee29583cf9264d95e95a9
# # Copyright (C) 2013-2018 The ESPResSo project # # This file is part of ESPResSo. # # ESPResSo is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later version. # # ESPResSo is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # # You should have received a copy of the GNU General Public License # along with this program. If not, see <http://www.gnu.org/licenses/>. # from __future__ import print_function import numpy as np import espressomd required_features = ["ELECTROSTATICS", "LENNARD_JONES"] espressomd.assert_features(required_features) from espressomd import thermostat from espressomd import electrostatics from espressomd import electrostatic_extensions print(""" ======================================================= = p3m.py = ======================================================= Program Information:""") print(espressomd.features()) # System parameters ############################################################# # 10 000 Particles box_l = 10 density = 0.3 # Interaction parameters (repulsive Lennard Jones) ############################################################# lj_eps = 10.0 lj_sig = 1.0 lj_cut = 1.12246 lj_cap = 20 # Integration parameters ############################################################# system = espressomd.System(box_l=[box_l] * 3) system.set_random_state_PRNG() #system.seed = system.cell_system.get_state()['n_nodes'] * [1234] np.random.seed(seed=system.seed) system.time_step = 0.01 system.cell_system.skin = 0.4 thermostat.Thermostat().set_langevin(1.0, 1.0) # warmup integration (with capped LJ potential) warm_steps = 100 warm_n_times = 30 # do the warmup until the particles have at least the distance min_dist min_dist = 0.7 # integration int_steps = 1000 int_n_times = 10 ############################################################# # Setup System # ############################################################# # Interaction setup ############################################################# system.non_bonded_inter[0, 0].lennard_jones.set_params( epsilon=lj_eps, sigma=lj_sig, cutoff=lj_cut, shift="auto") system.force_cap = lj_cap print("LJ-parameters:") print(system.non_bonded_inter[0, 0].lennard_jones.get_params()) # Particle setup ############################################################# volume = box_l * box_l * box_l n_part = int(volume * density) for i in range(n_part): system.part.add(id=i, pos=np.random.random(3) * system.box_l) system.analysis.dist_to(0) print("Simulate {} particles in a cubic simulation box {} at density {}." .format(n_part, box_l, density).strip()) print("Interactions:\n") act_min_dist = system.analysis.min_dist() print("Start with minimal distance {}".format(act_min_dist)) system.cell_system.max_num_cells = 2744 # Assingn charge to particles for i in range(n_part // 2 - 1): system.part[2 * i].q = -1.0 system.part[2 * i + 1].q = 1.0 # P3M setup after charge assigned ############################################################# print("\nSCRIPT--->Create p3m\n") #p3m = electrostatics.P3M_GPU(prefactor=2.0, accuracy=1e-2) p3m = electrostatics.P3M(prefactor=1.0, accuracy=1e-2) print("\nSCRIPT--->Add actor\n") system.actors.add(p3m) print("\nSCRIPT--->P3M parameter:\n") p3m_params = p3m.get_params() for key in list(p3m_params.keys()): print("{} = {}".format(key, p3m_params[key])) print("\nSCRIPT--->Explicit tune call\n") p3m.tune(accuracy=1e3) print("\nSCRIPT--->P3M parameter:\n") p3m_params = p3m.get_params() for key in list(p3m_params.keys()): print("{} = {}".format(key, p3m_params[key])) # elc=electrostatic_extensions.ELC(maxPWerror=1.0,gap_size=1.0) # system.actors.add(elc) print(system.actors) ############################################################# # Warmup Integration # ############################################################# # open Observable file obs_file = open("pylj_liquid.obs", "w") obs_file.write("# Time\tE_tot\tE_kin\tE_pot\n") print(""" Start warmup integration: At maximum {} times {} steps Stop if minimal distance is larger than {} """.strip().format(warm_n_times, warm_steps, min_dist)) # set LJ cap lj_cap = 20 system.force_cap = lj_cap print(system.non_bonded_inter[0, 0].lennard_jones) # Warmup Integration Loop i = 0 while (i < warm_n_times or act_min_dist < min_dist): system.integrator.run(warm_steps) # Warmup criterion act_min_dist = system.analysis.min_dist() i += 1 print( "i =", i, "system.analysis.min_dist() = ", system.analysis.min_dist(), "lj_cap = ", lj_cap) # Increase LJ cap lj_cap += 20 system.force_cap = lj_cap # Just to see what else we may get from the c code import pprint pprint.pprint(system.cell_system.get_state(), width=1) # pprint.pprint(system.part.__getstate__(), width=1) pprint.pprint(system.__getstate__()) # write parameter file set_file = open("pylj_liquid.set", "w") set_file.write("box_l %s\ntime_step %s\nskin %s\n" % (box_l, system.time_step, system.cell_system.skin)) ############################################################# # Integration # ############################################################# print("\nStart integration: run %d times %d steps" % (int_n_times, int_steps)) # remove force capping lj_cap = 0 system.force_cap = lj_cap print(system.non_bonded_inter[0, 0].lennard_jones) # print(initial energies) energies = system.analysis.energy() print(energies) j = 0 for i in range(0, int_n_times): print("run %d at time=%f " % (i, system.time)) system.integrator.run(int_steps) energies = system.analysis.energy() print(energies) obs_file.write('{ time %s } %s\n' % (system.time, energies)) # write end configuration end_file = open("pylj_liquid.end", "w") end_file.write("{ time %f } \n { box_l %f }\n" % (system.time, box_l)) end_file.write("{ particles {id pos type} }") for i in range(n_part): end_file.write("%s\n" % system.part[i].pos) obs_file.close() set_file.close() end_file.close() # terminate program print("\nFinished.")
hmenke/espresso
samples/p3m.py
Python
gpl-3.0
6,556
[ "ESPResSo" ]
2853ac103adaf74fb8b3fef7283aeca193fdb87b9312e7c9bddb67cd477acc88
#!/usr/bin/env python from __future__ import division """Variational Bayes model to fuse DESCRIPTION """ __author__ = "Nick Sweet" __copyright__ = "Copyright 2015, Cohrint" __credits__ = ["Nick Sweet", "Nisar Ahmed"] __license__ = "GPL" __version__ = "1.0.0" __maintainer__ = "Nick Sweet" __email__ = "nick.sweet@colorado.edu" __status__ = "Development" import logging import itertools import numpy as np from numpy.linalg import inv, det import matplotlib.pyplot as plt import matplotlib.animation as animation from descartes.patch import PolygonPatch from cops_and_robots.fusion.softmax import (speed_model, intrinsic_space_model, binary_speed_model, range_model, binary_range_model, camera_model_2D) from cops_and_robots.fusion.gaussian_mixture import (GaussianMixture, fleming_prior, uniform_prior ) from cops_and_robots.map_tools.map_elements import MapObject from numba import jit class VariationalBayes(object): """short description of VariationalBayes long description of VariationalBayes Parameters ---------- param : param_type, optional param_description Attributes ---------- attr : attr_type attr_description Methods ---------- attr : attr_type attr_description """ def __init__(self, num_EM_convergence_loops=15, EM_convergence_tolerance=10 ** -3, max_EM_steps=250, num_importance_samples=500, num_mixand_samples=500, weight_threshold=None, mix_sm_corr_thresh=0.98, max_num_mixands=50): self.num_EM_convergence_loops = num_EM_convergence_loops self.EM_convergence_tolerance = EM_convergence_tolerance self.max_EM_steps = max_EM_steps self.num_importance_samples = num_importance_samples self.num_mixand_samples = num_mixand_samples if weight_threshold is None: weight_threshold = np.finfo(float).eps # Machine precision self.weight_threshold = weight_threshold self.mix_sm_corr_thresh = mix_sm_corr_thresh self.max_num_mixands = max_num_mixands @jit(cache=True) def vb_update(self, measurement, likelihood, prior, init_mean=0, init_var=1, init_alpha=0.5, init_xi=1): """Variational bayes update for Gaussian and Softmax. """ # Likelihood values if hasattr(likelihood, 'subclasses'): m = likelihood.num_subclasses j = likelihood.subclasses[measurement].id init_xi = np.ones(likelihood.num_subclasses) else: m = likelihood.num_classes j = likelihood.classes[measurement].id init_xi = np.ones(likelihood.num_classes) w = likelihood.weights b = likelihood.biases xis, alpha, mu_hat, var_hat, prior_mean, prior_var = \ self._check_inputs(likelihood, init_mean, init_var, init_alpha, init_xi, prior) dummy_weights = np.zeros((w.shape[0], prior.means[0].shape[0]-w.shape[1])) w = np.hstack((w, dummy_weights)) converged = False EM_step = 0 while not converged and EM_step < self.max_EM_steps: ################################################################ # STEP 1 - EXPECTATION ################################################################ # PART A ####################################################### # find g_j sum1 = 0 for c in range(m): if c != j: sum1 += b[c] sum2 = 0 for c in range(m): sum2 = xis[c] / 2 \ + self._lambda(xis[c]) * (xis[c] ** 2 - (b[c] - alpha) ** 2) \ - np.log(1 + np.exp(xis[c])) g_j = 0.5 * (b[j] - sum1) + alpha * (m / 2 - 1) + sum2 # find h_j sum1 = 0 for c in range(m): if c != j: sum1 += w[c] sum2 = 0 for c in range(m): sum2 += self._lambda(xis[c]) * (alpha - b[c]) * w[c] h_j = 0.5 * (w[j] - sum1) + 2 * sum2 # find K_j sum1 = 0 for c in range(m): sum1 += self._lambda(xis[c]) * np.outer(w[c], (w[c])) K_j = 2 * sum1 K_p = inv(prior_var) g_p = -0.5 * (np.log(np.linalg.det(2 * np.pi * prior_var))) \ + prior_mean.T .dot (K_p) .dot (prior_var) h_p = K_p .dot (prior_mean) g_l = g_p + g_j h_l = h_p + h_j K_l = K_p + K_j mu_hat = inv(K_l) .dot (h_l) var_hat = inv(K_l) # PART B ####################################################### y_cs = np.zeros(m) y_cs_squared = np.zeros(m) for c in range(m): y_cs[c] = w[c].T .dot (mu_hat) + b[c] y_cs_squared[c] = w[c].T .dot \ (var_hat + np.outer(mu_hat, mu_hat.T)) .dot (w[c]) \ + 2 * w[c].T .dot (mu_hat) * b[c] + b[c] ** 2 ################################################################ # STEP 2 - MAXIMIZATION ################################################################ for i in range(self.num_EM_convergence_loops): # n_{lc} # PART A ###################################################### # Find xis for c in range(m): xis[c] = np.sqrt(y_cs_squared[c] + alpha ** 2 - 2 * alpha * y_cs[c]) # PART B ###################################################### # Find alpha num_sum = 0 den_sum = 0 for c in range(m): num_sum += self._lambda(xis[c]) * y_cs[c] den_sum += self._lambda(xis[c]) alpha = ((m - 2) / 4 + num_sum) / den_sum ################################################################ # STEP 3 - CONVERGENCE CHECK ################################################################ if EM_step == 0: prev_log_c_hat = -1000 # Arbitrary value KLD = 0.5 * (np.log(det(prior_var) / det(var_hat)) + np.trace(inv(prior_var) .dot (var_hat)) + (prior_mean - mu_hat).T .dot (inv(prior_var)) .dot (prior_mean - mu_hat)) sum1 = 0 for c in range(m): sum1 += 0.5 * (alpha + xis[c] - y_cs[c]) \ - self._lambda(xis[c]) * (y_cs_squared[c] - 2 * alpha * y_cs[c] + alpha ** 2 - xis[c] ** 2) \ - np.log(1 + np.exp(xis[c])) # <>TODO: don't forget Mun - unobserved parents! # <>CHECK - WHY DO WE ADD +1 HERE?? log_c_hat = y_cs[j] - alpha + sum1 - KLD + 1 if np.abs(log_c_hat - prev_log_c_hat) < self.EM_convergence_tolerance: logging.debug('Convergence reached at step {} with log_c_hat {}' .format(EM_step, log_c_hat)) break prev_log_c_hat = log_c_hat EM_step += 1 # Resize parameters if mu_hat.size == 1: mu_post = mu_hat[0] else: mu_post = mu_hat if var_hat.size == 1: var_post = var_hat[0][0] else: var_post = var_hat logging.debug('VB update found mean of {} and variance of {}.' .format(mu_post, var_post)) return mu_post, var_post, log_c_hat def lwis_update(self, prior): """ clustering: pairwise greedy merging - compare means, weights & variances salmond's method and runnals' method (better) """ prior_mean = np.asarray(prior.means[0]) prior_var = np.asarray(prior.covariances[0]) # Importance distribution q = GaussianMixture(1, prior_mean, prior_var) # Importance sampling correction w = np.zeros(num_samples) # Importance weights x = q.rvs(size=num_samples) # Sampled points x = np.asarray(x) if hasattr(likelihood, 'subclasses'): measurement_class = likelihood.subclasses[measurement] else: measurement_class = likelihood.classes[measurement] for i in range(num_samples): w[i] = prior.pdf(x[i]) \ * measurement_class.probability(state=x[i])\ / q.pdf(x[i]) w /= np.sum(w) # Normalize weights mu_hat = np.zeros_like(np.asarray(mu_VB)) for i in range(num_samples): x_i = np.asarray(x[i]) mu_hat = mu_hat + x_i .dot (w[i]) var_hat = np.zeros_like(np.asarray(var_VB)) for i in range(num_samples): x_i = np.asarray(x[i]) var_hat = var_hat + w[i] * np.outer(x_i, x_i) var_hat -= np.outer(mu_hat, mu_hat) if mu_hat.size == 1 and mu_hat.ndim > 0: mu_lwis = mu_hat[0] else: mu_lwis = mu_hat if var_hat.size == 1: var_lwis = var_hat[0][0] else: var_lwis = var_hat logging.debug('LWIS update found mean of {} and variance of {}.' .format(mu_lwis, var_lwis)) return mu_lwis, var_lwis, log_c_hat def vbis_update(self, measurement, likelihood, prior, exact_likelihoods=None, exact_measurements=None, init_mean=0, init_var=1, init_alpha=0.5, init_xi=1, num_samples=None, use_LWIS=False): """VB update with importance sampling for Gaussian and Softmax. """ if num_samples is None: num_samples = self.num_importance_samples logging.debug('use_LWIS: {}'.format(use_LWIS)) if use_LWIS: q_mu = np.asarray(prior.means[0]) log_c_hat = np.nan else: # Use VB update q_mu, var_VB, log_c_hat = self.vb_update(measurement, likelihood, prior, init_mean, init_var, init_alpha, init_xi) q_var = np.asarray(prior.covariances[0]) # Importance distribution q = GaussianMixture(1, q_mu, q_var) logging.debug('q mean = {}'.format(q.means)) # Importance sampling correction w = np.zeros(num_samples) # Importance weights x = q.rvs(size=num_samples) # Sampled points x = np.asarray(x) if hasattr(likelihood, 'subclasses'): measurement_class = likelihood.subclasses[measurement] else: measurement_class = likelihood.classes[measurement] # Sample from all the exact classes in all the sm models from the sm product # sample each parent of the joint measurement from the distribution generated by the vb update # take the product of the prior pdf at x and all the parent likelihoods at sample points x if exact_likelihoods is None: likelihood_at_x = measurement_class.probability(state=x) else: for i, exact_likelihood in enumerate(exact_likelihoods): if hasattr(exact_likelihood, 'subclasses'): exact_measurement_class = exact_likelihood.subclasses[exact_measurements[i]] else: exact_measurement_class = exact_likelihood.classes[exact_measurements[i]] if i == 0: likelihood_at_x = np.ones_like(exact_measurement_class.probability(state=x)) else: likelihood_at_x *= exact_measurement_class.probability(state=x) # Compute parameters using samples w = prior.pdf(x) * likelihood_at_x / q.pdf(x) w /= np.sum(w) # Normalize weights mu_hat = np.sum(x.T * w, axis=-1) # <>TODO: optimize this var_hat = np.zeros_like(np.asarray(q_var)) for i in range(num_samples): x_i = np.asarray(x[i]) var_hat = var_hat + w[i] * np.outer(x_i, x_i) var_hat -= np.outer(mu_hat, mu_hat) # Ensure properly formatted output if mu_hat.size == 1 and mu_hat.ndim > 0: mu_post_vbis = mu_hat[0] else: mu_post_vbis = mu_hat if var_hat.size == 1: var_post_vbis = var_hat[0][0] else: var_post_vbis = var_hat logging.debug('VBIS update found mean of {} and variance of {}.' .format(mu_post_vbis, var_post_vbis)) return mu_post_vbis, var_post_vbis, log_c_hat def update(self, measurement, likelihood, prior, use_LWIS=False, poly=None, num_std=1, get_raw_beta=False, exact_likelihoods=None, exact_measurements=None,): """VB update using Gaussian mixtures and multimodal softmax. This uses Variational Bayes with Importance Sampling (VBIS) for each mixand-softmax pair available. """ # If we have a polygon, update only the mixands intersecting with it if poly is None: update_intersections_only = False else: update_intersections_only = True h = 0 if likelihood.classes[measurement].has_subclasses: relevant_subclasses = likelihood.classes[measurement].subclasses else: relevant_subclasses = {measurement: likelihood.classes[measurement]} num_relevant_subclasses = len(relevant_subclasses) # Use intersecting priors only if update_intersections_only and hasattr(prior, 'std_ellipses'): other_priors = prior.copy() weights = [] means = [] covariances = [] mixand_ids = [] ellipses = prior.std_ellipses(num_std) any_intersection = False for i, ellipse in enumerate(ellipses): try: has_intersection = poly.intersects(ellipse) except ValueError: logging.warn('Null geometry error! Defaulting to true.') has_intersection = True if has_intersection: # Get parameters for intersecting priors mixand_ids.append(i) weights.append(prior.weights[i]) means.append(prior.means[i]) covariances.append(prior.covariances[i]) any_intersection = True if not any_intersection: logging.debug('No intersection with any ellipse.') mu_hat = other_priors.means var_hat = other_priors.covariances beta_hat = other_priors.weights return mu_hat, var_hat, beta_hat # Remove these from the other priors other_priors.weights = \ np.delete(other_priors.weights, mixand_ids, axis=0) other_priors.means = \ np.delete(other_priors.means, mixand_ids, axis=0) other_priors.covariances = \ np.delete(other_priors.covariances, mixand_ids, axis=0) # Retain total weight of intersection weights for renormalization max_intersection_weight = sum(weights) # Create new prior prior = GaussianMixture(weights, means, covariances) logging.debug('Using only mixands {} for VBIS fusion. Total weight {}' .format(mixand_ids, max_intersection_weight)) # Parameters for all new mixands K = num_relevant_subclasses * prior.weights.size mu_hat = np.zeros((K, prior.means.shape[1])) var_hat = np.zeros((K, prior.covariances.shape[1], prior.covariances.shape[2])) log_beta_hat = np.zeros(K) # Weight estimates for u, mixand_weight in enumerate(prior.weights): mix_sm_corr = 0 # Check to see if the mixand is completely contained within # the softmax class (i.e. doesn't need an update) mixand = GaussianMixture(1, prior.means[u], prior.covariances[u]) logging.debug('prior.means[u]: {}'.format(prior.means[u])) logging.debug('prior.covariances[u]: {}'.format(prior.covariances[u])) logging.debug('mixand.means: {}'.format(mixand.means)) logging.debug('mixand.covariances: {}'.format(mixand.covariances)) logging.debug('type means: {}'.format(type(prior.means[u]))) mixand_samples = mixand.rvs(self.num_mixand_samples) p_hat_ru_samples = likelihood.classes[measurement].probability(state=mixand_samples[:,0:2]) # logging.debug('p_hat_ru_samples: {}'.format(p_hat_ru_samples)) mix_sm_corr = np.sum(p_hat_ru_samples) / self.num_mixand_samples logging.debug('gm and softmax correlation: {}, threshold: {}' .format(mix_sm_corr, self.mix_sm_corr_thresh)) if mix_sm_corr > self.mix_sm_corr_thresh: logging.debug('Mixand {}\'s correspondence with {} was {},' 'above the threshold of {}, so VBIS was skipped.' .format(u, measurement, mix_sm_corr, self.mix_sm_corr_thresh)) # Append the prior's parameters to the mixand parameter lists mu_hat[h, :] = prior.means[u] var_hat[h, :] = prior.covariances[u] log_beta_hat[h] = np.log(mixand_weight) h +=1 continue # Otherwise complete the full VBIS update ordered_subclasses = iter(sorted(relevant_subclasses.iteritems())) for label, subclass in ordered_subclasses: # print label # Compute \hat{P}_s(r|u) mixand_samples = mixand.rvs(self.num_mixand_samples) p_hat_ru_samples = subclass.probability(state=mixand_samples) p_hat_ru_sampled = np.sum(p_hat_ru_samples) / self.num_mixand_samples logging.debug('Starting vbis_update') logging.debug('mixand.means: {}'.format(mixand.means)) logging.debug('mixand.covariances: {}'.format(mixand.covariances)) mu_vbis, var_vbis, log_c_hat = \ self.vbis_update(label, subclass.softmax_collection, mixand, use_LWIS=use_LWIS, exact_likelihoods=exact_likelihoods, exact_measurements=exact_measurements, ) logging.debug('Finished vbis_update') # Compute log odds of r given u if np.isnan(log_c_hat): # from LWIS update log_p_hat_ru = np.log(p_hat_ru_sampled) else: log_p_hat_ru = np.max((log_c_hat, np.log(p_hat_ru_sampled))) # Find log of P(u,r|D_k) \approxequal \hat{B}_{ur} log_beta_vbis = np.log(mixand_weight) + log_p_hat_ru # Symmetrize var_vbis var_vbis = 0.5 * (var_vbis.T + var_vbis) # Update estimate values log_beta_hat[h] = log_beta_vbis mu_hat[h,:] = mu_vbis var_hat[h,:] = var_vbis h += 1 # Renormalize and truncate (based on weight threshold) raw_beta_hats = np.exp(log_beta_hat) log_beta_hat = log_beta_hat - np.max(log_beta_hat) unnormalized_beta_hats = np.exp(log_beta_hat) beta_hat = np.exp(log_beta_hat) / np.sum(np.exp(log_beta_hat)) # Reattach untouched prior values if update_intersections_only: beta_hat = unnormalized_beta_hats * max_intersection_weight beta_hat = np.hstack((other_priors.weights, beta_hat)) mu_hat = np.vstack((other_priors.means, mu_hat)) var_hat = np.concatenate((other_priors.covariances, var_hat)) # Shrink mu, var and beta if necessary h += other_priors.weights.size beta_hat = beta_hat[:h] mu_hat = mu_hat[:h] var_hat = var_hat[:h] beta_hat /= beta_hat.sum() else: # Shrink mu, var and beta if necessary beta_hat = beta_hat[:h] mu_hat = mu_hat[:h] var_hat = var_hat[:h] # Threshold based on weights mu_hat = mu_hat[beta_hat > self.weight_threshold, :] var_hat = var_hat[beta_hat > self.weight_threshold, :] beta_hat = beta_hat[beta_hat > self.weight_threshold] # Check if covariances are positive semidefinite for i, var in enumerate(var_hat): try: assert np.all(np.linalg.det(var) > 0) except AssertionError, e: logging.warn('Following variance is not positive ' 'semidefinite: \n{}'.format(var)) var_hat[i] = np.eye(var.shape[0]) * 10 ** -3 # Renormalize beta_hat beta_hat /= beta_hat.sum() if get_raw_beta: beta_hat = raw_beta_hats return mu_hat, var_hat, beta_hat def _lambda(self, xi_c): return 1 / (2 * xi_c) * ( (1 / (1 + np.exp(-xi_c))) - 0.5) def _check_inputs(self, likelihood, init_mean, init_var, init_alpha, init_xi, prior): # Make sure inputs are numpy arrays init_mean = np.asarray(init_mean) init_var = np.asarray(init_var) init_alpha = np.asarray(init_alpha) init_xi = np.asarray(init_xi) if init_xi.ndim != 1: try: m = likelihood.num_subclasses assert init_xi.size == m except AssertionError: logging.exception('Initial xi was not the right size.') raise init_xi = np.reshape(init_xi, (1, -1)) logging.debug("Initial xi is not the right shape. Reshaping.") # Preparation xis = init_xi alpha = init_alpha mu_hat = init_mean var_hat = init_var # <>EXTEND prior_mean = prior.means[0] prior_var = prior.covariances[0] return xis, alpha, mu_hat, var_hat, prior_mean, prior_var def comparison_1d(): # Define prior prior_mean, prior_var = 0.3, 0.01 min_x, max_x = -5, 5 res = 10000 prior = GaussianMixture(1, prior_mean, prior_var) x_space = np.linspace(min_x, max_x, res) # Define sensor likelihood sm = speed_model() measurement = 'Slow' measurement_i = sm.class_labels.index(measurement) # Do a VB update init_mean, init_var = 0, 1 init_alpha, init_xi = 0.5, np.ones(4) vb = VariationalBayes() vb_mean, vb_var, _ = vb.vb_update(measurement, sm, prior, init_mean, init_var, init_alpha, init_xi) vb_posterior = GaussianMixture(1, vb_mean, vb_var) nisar_vb_mean = 0.131005297841171 nisar_vb_var = 6.43335516254277e-05 diff_vb_mean = vb_mean - nisar_vb_mean diff_vb_var = vb_var - nisar_vb_var logging.info('Nisar\'s VB update had mean difference {} and var difference {}\n' .format(diff_vb_mean, diff_vb_var)) # Do a VBIS update vbis_mean, vbis_var, _ = vb.vbis_update(measurement, sm, prior, init_mean, init_var, init_alpha, init_xi) vbis_posterior = GaussianMixture(1, vbis_mean, vbis_var) nisar_vbis_mean = 0.154223416817080 nisar_vbis_var = 0.00346064073274943 diff_vbis_mean = vbis_mean - nisar_vbis_mean diff_vbis_var = vbis_var - nisar_vbis_var logging.info('Nisar\'s VBIS update had mean difference {} and var difference {}\n' .format(diff_vbis_mean, diff_vbis_var)) # Plot results likelihood_label = 'Likelihood of \'{}\''.format(measurement) fig = plt.figure() ax = fig.add_subplot(111) sm.classes[measurement].plot(ax=ax, fill_between=False, label=likelihood_label, ls='--') ax.plot(x_space, prior.pdf(x_space), lw=1, label='prior pdf', c='grey', ls='--') ax.plot(x_space, vb_posterior.pdf(x_space), lw=2, label='VB posterior', c='r') ax.fill_between(x_space, 0, vb_posterior.pdf(x_space), alpha=0.2, facecolor='r') ax.plot(x_space, vbis_posterior.pdf(x_space), lw=2, label='VBIS Posterior', c='g') ax.fill_between(x_space, 0, vbis_posterior.pdf(x_space), alpha=0.2, facecolor='g') ax.set_title('VBIS Update') ax.legend() ax.set_xlim([0, 0.4]) ax.set_ylim([0, 7]) plt.show() def comparison_2d(): # Define prior prior_mean = np.array([2.3, 1.2]) prior_var = np.array([[2, 0.6], [0.6, 2]]) prior = GaussianMixture(1, prior_mean, prior_var) # Define sensor likelihood sm = intrinsic_space_model() measurement = 'Front' measurement_i = sm.classes[measurement].id # Do a VB update init_mean = np.zeros((1,2)) init_var = np.eye(2) init_alpha = 0.5 init_xi = np.ones(5) vb = VariationalBayes() vb_mean, vb_var, _ = vb.vb_update(measurement, sm, prior, init_mean, init_var, init_alpha, init_xi) nisar_vb_mean = np.array([1.795546121012238, 2.512627005425541]) nisar_vb_var = np.array([[0.755723395661314, 0.091742424424428], [0.091742424424428, 0.747611340151417]]) diff_vb_mean = vb_mean - nisar_vb_mean diff_vb_var = vb_var - nisar_vb_var logging.info('Nisar\'s VB update had mean difference: \n {}\n and var difference: \n {}\n' .format(diff_vb_mean, diff_vb_var)) vb_mean, vb_var, _ = vb.vbis_update(measurement, sm, prior, init_mean, init_var, init_alpha, init_xi) vb_posterior = GaussianMixture(1, vb_mean, vb_var) # Define gridded space for graphing min_x, max_x = -5, 5 min_y, max_y = -5, 5 res = 200 x_space, y_space = np.mgrid[min_x:max_x:1/res, min_y:max_y:1/res] pos = np.empty(x_space.shape + (2,)) pos[:, :, 0] = x_space; pos[:, :, 1] = y_space; levels_res = 30 max_prior = np.max(prior.pdf(pos)) prior_levels = np.linspace(0, max_prior, levels_res) sm.probability() max_lh = np.max(sm.probs) lh_levels = np.linspace(0, max_lh, levels_res) max_post = np.max(vb_posterior.pdf(pos)) post_levels = np.linspace(0, max_post, levels_res) # Plot results fig = plt.figure() likelihood_label = 'Likelihood of \'{}\''.format(measurement) prior_ax = plt.subplot2grid((2,32), (0,0), colspan=14) prior_cax = plt.subplot2grid((2,32), (0,14), colspan=1) prior_c = prior_ax.contourf(x_space, y_space, prior.pdf(pos), levels=prior_levels) cbar = plt.colorbar(prior_c, cax=prior_cax) prior_ax.set_xlabel('x1') prior_ax.set_ylabel('x2') prior_ax.set_title('Prior Distribution') lh_ax = plt.subplot2grid((2,32), (0,17), colspan=14) lh_cax = plt.subplot2grid((2,32), (0,31), colspan=1) sm.classes[measurement].plot(ax=lh_ax, label=likelihood_label, plot_3D=False, levels=lh_levels) # plt.colorbar(sm.probs, cax=lh_cax) lh_ax.set_title(likelihood_label) posterior_ax = plt.subplot2grid((2,32), (1,0), colspan=31) posterior_cax = plt.subplot2grid((2,32), (1,31), colspan=1) posterior_c = posterior_ax.contourf(x_space, y_space, vb_posterior.pdf(pos), levels=post_levels) plt.colorbar(posterior_c, cax=posterior_cax) posterior_ax.set_xlabel('x1') posterior_ax.set_ylabel('x2') posterior_ax.set_title('VB Posterior Distribution') plt.show() def gmm_sm_test(measurement='Outside'): # Define prior # prior = GaussianMixture(weights=[1, 4, 5], # means=[[0.5, 1.3], # GM1 mean # [-0.7, -0.6], # GM2 mean # [0.2, -3], # GM3 mean # ], # covariances=[[[0.4, 0.3], # GM1 mean # [0.3, 0.4] # ], # [[0.3, 0.1], # GM2 mean # [0.1, 0.3] # ], # [[0.5, 0.4], # GM3 mean # [0.4, 0.5]], # ]) prior = GaussianMixture(weights=[1, 1, 1, 1, 1], means=[[-2, -4], # GM1 mean [-1, -2], # GM2 mean [0, 0], # GM3 mean [1, -2], # GM4 mean [2, -4], # GM5 mean ], covariances=[[[0.1, 0], # GM1 mean [0, 0.1] ], [[0.2, 0], # GM2 mean [0, 0.2] ], [[0.3, 0], # GM3 mean [0, 0.3] ], [[0.2, 0], # GM4 mean [0, 0.2] ], [[0.1, 0], # GM5 mean [0, 0.1]], ]) # prior = GaussianMixture(weights=[1], # means=[[-2, -4], # GM1 mean # ], # covariances=[[[0.1, 0], # GM1 mean # [0, 0.1] # ], # ]) # Define sensor likelihood brm = range_model() # Do a VBIS update logging.info('Starting VB update...') vb = VariationalBayes() mu_hat, var_hat, beta_hat = vb.update(measurement, brm, prior, use_LWIS=True) vbis_posterior = GaussianMixture(weights=beta_hat, means=mu_hat, covariances=var_hat) # Define gridded space for graphing min_x, max_x = -5, 5 min_y, max_y = -5, 5 res = 100 x_space, y_space = np.mgrid[min_x:max_x:1/res, min_y:max_y:1/res] pos = np.empty(x_space.shape + (2,)) pos[:, :, 0] = x_space; pos[:, :, 1] = y_space; levels_res = 50 max_prior = np.max(prior.pdf(pos)) prior_levels = np.linspace(0, max_prior, levels_res) brm.probability() max_lh = np.max(brm.probs) lh_levels = np.linspace(0, max_lh, levels_res) max_post = np.max(vbis_posterior.pdf(pos)) post_levels = np.linspace(0, max_post, levels_res) # Plot results fig = plt.figure() likelihood_label = 'Likelihood of \'{}\''.format(measurement) prior_ax = plt.subplot2grid((2,32), (0,0), colspan=14) prior_cax = plt.subplot2grid((2,32), (0,14), colspan=1) prior_c = prior_ax.contourf(x_space, y_space, prior.pdf(pos), levels=prior_levels) cbar = plt.colorbar(prior_c, cax=prior_cax) prior_ax.set_xlabel('x1') prior_ax.set_ylabel('x2') prior_ax.set_title('Prior Distribution') lh_ax = plt.subplot2grid((2,32), (0,17), colspan=14) lh_cax = plt.subplot2grid((2,32), (0,31), colspan=1) brm.classes[measurement].plot(ax=lh_ax, label=likelihood_label, ls='--', levels=lh_levels, show_plot=False, plot_3D=False) # plt.colorbar(sm.probs, cax=lh_cax) lh_ax.set_title(likelihood_label) posterior_ax = plt.subplot2grid((2,32), (1,0), colspan=31) posterior_cax = plt.subplot2grid((2,32), (1,31), colspan=1) posterior_c = posterior_ax.contourf(x_space, y_space, vbis_posterior.pdf(pos), levels=post_levels) plt.colorbar(posterior_c, cax=posterior_cax) posterior_ax.set_xlabel('x1') posterior_ax.set_ylabel('x2') posterior_ax.set_title('VBIS Posterior Distribution') logging.info('Prior Weights: \n {} \n Means: \n {} \n Variances: \n {} \n'.format(prior.weights,prior.means,prior.covariances)) logging.info('Posterior Weights: \n {} \n Means: \n {} \n Variances: \n {} \n'.format(vbis_posterior.weights,vbis_posterior.means,vbis_posterior.covariances)) plt.show() def compare_to_matlab(measurement='Near'): prior = GaussianMixture(weights=[1, 1, 1, 1, 1], means=[[-2, -4], # GM1 mean [-1, -2], # GM2 mean [0, 0], # GM3 mean [1, -2], # GM4 mean [2, -4], # GM5 mean ], covariances=[[[0.1, 0], # GM1 mean [0, 0.1] ], [[0.2, 0], # GM2 mean [0, 0.2] ], [[0.3, 0], # GM3 mean [0, 0.3] ], [[0.2, 0], # GM4 mean [0, 0.2] ], [[0.1, 0], # GM5 mean [0, 0.1]], ]) # prior = GaussianMixture(weights=[1], # means=[[-2, -4], # GM1 mean # ], # covariances=[[[0.1, 0], # GM1 mean # [0, 0.1] # ], # ]) # Define sensor likelihood brm = range_model() file_ =open('/Users/nick/Downloads/VBIS GM Fusion/nick_output.csv', 'w') for i in range(30): # Do a VBIS update logging.info('Starting VB update...') vb = VariationalBayes() mu_hat, var_hat, beta_hat = vb.update(measurement, brm, prior) # Flatten values flat = np.hstack((beta_hat, mu_hat.flatten(), var_hat.flatten())) # Save Flattened values np.savetxt(file_, np.atleast_2d(flat), delimiter=',') file_.close() def camera_test(num_std=1, time_interval=1): # prior = fleming_prior() # prior = uniform_prior() # prior = GaussianMixture(1, np.zeros(2), np.eye(2)) prior = GaussianMixture([1, 1, 1], np.array([[-7, 0], [-3, 0], [1,0], ]), np.eye(2)[None,:].repeat(3, axis=0) ) bounds = [-12.5, -3.5, 2.5, 3.5] min_view_dist = 0.3 # [m] max_view_dist = 1.0 # [m] detection_model = camera_model_2D(min_view_dist, max_view_dist) trajectory = np.zeros((20,2)) ls = np.linspace(-10, 3, 20) trajectory = np.hstack((ls[:, None], trajectory)) class camera_tester(object): """docstring for merged_gm""" def __init__(self, prior, detection_model, trajectory, num_std=1, bounds=None): self.fig = plt.figure(figsize=(16,8)) self.gm = prior self.detection_model = detection_model self.trajectory = itertools.cycle(trajectory) self.vb = VariationalBayes() self.num_std = num_std if bounds is None: self.bounds = [-5, -5, 5, 5] else: self.bounds = bounds def update(self,i=0): self.camera_pose = next(self.trajectory) logging.info('Moving to pose {}.'.format(self.camera_pose)) self.detection_model.move(self.camera_pose) # Do a VBIS update mu, sigma, beta = self.vb.update(measurement='No Detection', likelihood=detection_model, prior=self.gm, use_LWIS=True, poly=detection_model.poly, num_std=self.num_std ) self.gm = GaussianMixture(weights=beta, means=mu, covariances=sigma) # Log what's going on logging.info(self.gm) logging.info('Weight sum: {}'.format(beta.sum())) self.remove() self.plot() def plot(self): levels_res = 50 self.levels = np.linspace(0, np.max(self.gm.pdf(self.pos)), levels_res) self.contourf = self.ax.contourf(self.xx, self.yy, self.gm.pdf(self.pos), levels=self.levels, cmap=plt.get_cmap('jet') ) # Plot camera self.cam_patch = PolygonPatch(self.detection_model.poly, facecolor='none', linewidth=2, edgecolor='white') self.ax.add_patch(self.cam_patch) # Plot ellipses self.ellipse_patches = self.gm.plot_ellipses(poly=self.detection_model.poly) def plot_setup(self): # Define gridded space for graphing min_x, max_x = self.bounds[0], self.bounds[2] min_y, max_y = self.bounds[1], self.bounds[3] res = 30 self.xx, self.yy = np.mgrid[min_x:max_x:1/res, min_y:max_y:1/res] pos = np.empty(self.xx.shape + (2,)) pos[:, :, 0] = self.xx; pos[:, :, 1] = self.yy; self.pos = pos # Plot setup self.ax = self.fig.add_subplot(111) self.ax.set_title('VBIS with camera detection test') plt.axis('scaled') self.ax.set_xlim([min_x, max_x]) self.ax.set_ylim([min_y, max_y]) levels_res = 50 self.levels = np.linspace(0, np.max(self.gm.pdf(self.pos)), levels_res) cax = self.contourf = self.ax.contourf(self.xx, self.yy, self.gm.pdf(self.pos), levels=self.levels, cmap=plt.get_cmap('jet') ) self.fig.colorbar(cax) def remove(self): if hasattr(self, 'cam_patch'): self.cam_patch.remove() del self.cam_patch if hasattr(self, 'ellipse_patches'): for patch in self.ellipse_patches: patch.remove() del self.ellipse_patches if hasattr(self,'contourf'): for collection in self.contourf.collections: collection.remove() del self.contourf gm = camera_tester(prior, detection_model, trajectory, num_std, bounds) logging.info('Initial GM:') logging.info(prior) ani = animation.FuncAnimation(gm.fig, gm.update, interval=time_interval, repeat=True, blit=False, init_func=gm.plot_setup ) plt.show() if __name__ == '__main__': logger_format = '[%(levelname)-7s] %(funcName)-30s %(message)s' logging.basicConfig(format=logger_format, level=logging.DEBUG) np.set_printoptions(precision=10, suppress=True) # comparison_1d() # comparison_2d() # gmm_sm_test('Near') # compare_to_matlab() camera_test(num_std=1, time_interval=1000) #[ms]
COHRINT/cops_and_robots
src/cops_and_robots/fusion/variational_bayes.py
Python
apache-2.0
40,903
[ "Gaussian" ]
93ac0a38fd61952b2bfabf658007dfcf1ec4cd55a8ccc007d145950e2505df14
import numpy as np np.set_printoptions(precision=14) npoints = 5 keys = ["V", "V_RHO_A", "V_RHO_B", "V_GAMMA_AA", "V_GAMMA_AB", "V_GAMMA_BB"] funcs = [ ["S_X", "XC_LDA_X"], ["B88_X", "XC_GGA_X_B88"], ["B86B_X", "XC_GGA_X_B86_MGC"], ["PW86_X", "XC_GGA_X_PW86"], ["PBE_X", "XC_GGA_X_PBE"], #["RPBE_X", "XC_GGA_X_RPBE"], #["SOGGA_X", "XC_GGA_X_SOGGA"], ["PW91_X", "XC_GGA_X_PW91"], ["FT97B_X", "XC_GGA_X_FT97_B"], ["PW92_C", "XC_LDA_C_PW"], #["B_C" #["M_C" ["LYP_C", "XC_GGA_C_LYP"], ["PZ81_C", "XC_LDA_C_PZ"], ["P86_C", "XC_GGA_C_P86"], ["PW91_C", "XC_GGA_C_PW91"], ["PBE_C", "XC_GGA_C_PBE"], ["FT97_C", "XC_GGA_C_FT97"], ["VWN3_C", "XC_LDA_C_VWN_3"], ["VWN5_C", "XC_LDA_C_VWN"], ["PW92A_C", "XC_LDA_C_PW_MOD"]] #keys = ["V", "V_RHO_A", "V_GAMMA_AA", "V_GAMMA_AB", "V_GAMMA_BB", "V_RHO_B"] rho_a = psi4.core.Vector.from_array(np.linspace(0.5, 0.99, npoints)) rho_b = psi4.core.Vector.from_array(np.linspace(0.5, 0.99, npoints)) sigma = psi4.core.Vector.from_array(np.ones((npoints)) * 0.3) zeros = psi4.core.Vector.from_array(np.zeros((npoints))) def build_in(): inp = { 'RHO_A' : rho_a, 'RHO_B' : rho_b, 'GAMMA_AA' : sigma, 'GAMMA_AB' : sigma, 'GAMMA_BB' : sigma, } return inp def build_out(): ret = {} for k in keys: ret[k] = psi4.core.Vector(npoints) return ret for psi_func_name, xc_func_name in funcs: print("Building functional %s/%s" % (psi_func_name, xc_func_name)) psi_fun = core.Functional.build_base(psi_func_name) if "GGA" in xc_func_name: psi_fun.set_gga(True) print_out("Psi4 functional\n") psi_fun.print_out() xc_fun = core.Functional.build_base(xc_func_name) print_out("XC functional\n") xc_fun.print_out() psi_out = build_out() psi_inp = build_in() psi_fun.compute_functional(psi_inp, psi_out, npoints, 1, 1.0) #psi_out["V_RHO_A"].np[:] *= 2 # print("Called psi fun\n") xc_out = build_out() xc_inp = build_in() #xc_inp["GAMMA_AA"].np[:] *= 3 # print("Called XC fun\n") xc_fun.compute_functional(xc_inp, xc_out, npoints, 1, 1.0) #xc_out["V"].np[:] *= (rho_b.np[:] + rho_a.np[:]) # print('Here') for k in keys: if not np.allclose(psi_out[k].np, xc_out[k].np, atol=1.e-5): print(" Allclose failed for key %s" % k) print psi_out[k].np print xc_out[k].np print np.linalg.norm(psi_out[k].np - xc_out[k].np) raise Exception("Test failed")
rmcgibbo/psi4public
tests/libxc/devl/point_test.py
Python
lgpl-3.0
2,508
[ "Psi4" ]
f794d90335d5dbef0e437199b56b67f1ae9738d0bb1d6d1ece43d4b572dab796
# -*- coding: utf-8 -*- # Simple GUI example from javax.swing import * from java.awt import * import optparse import sys ## does summation of echoes using external python script import sys import os import os.path import subprocess """ import argparse parser = argparse.ArgumentParser(description='Add echoes in a qcpmg bruker experiment') parser.add_argument('-l','--lb',type=float, help='Lorentzian broadening applied to the decaying echo',default=0) parser.add_argument('-g','--gb',type=float, help='Gaussian broadening applied to each echo',default=0) parser.add_argument('-n',type=int, help='Number of echo to sum') parser.add_argument('-c',type=float, help='qcpmg cycle in us') parser.add_argument('infile',help='Full path of the dataset to process') """ import JTutils dataset = CURDATA() N = str(1+int(GETPARSTAT("L 22"))) LB = GETPAR("LB") GB = GETPAR("USERP1") slope = GETPAR("USERP2") cycle = float(GETPARSTAT("P 60")) if cycle < 1: # P60 is not likely to have stored the cycle time then uses historic calculation # historic qcpmg.jt cycle calculation D3 = float(GETPARSTAT("D 3"))*1e6 D6 = float(GETPARSTAT("D 6"))*1e6 P4 = float(GETPARSTAT("P 4")) cycle = 2*(D3+D6)+P4 cycle = str(cycle) print cycle fulldataPATH = JTutils.fullpath(dataset) def canceled(event): frame0.dispose() def validated(event): (GB, LB, slope, N, cycle) = [JTFgb.getText(), JTFlb.getText(), JTFslope.getText(), JTFn.getText(), JTFcycle.getText()] opt_args = " -g %s -l %s -n %s -c %s -s %s" % (GB, LB, N, cycle, slope) if echoB.isSelected(): opt_args += " -o " if aechoB.isSelected(): opt_args += " -e " JTutils.run_CpyBin_script('qcpmgadd2D_.py', opt_args.split()+[fulldataPATH]) frame0.dispose() EXEC_PYSCRIPT("RE_PATH('%s')" % (fulldataPATH, )) #PUTPAR("LB",LB) #PUTPAR("USERP1",GB) """ JLabel("GB:") LB: slope: cycle: buttonGroup : odd/even/both button_OK button_CANCEL button_HELP """ # defined a frame with 2 buttons Lgb = JLabel("GB", SwingConstants.RIGHT) JTFgb = JTextField(GB) Llb = JLabel("LB", SwingConstants.RIGHT) JTFlb = JTextField(LB) Ln = JLabel("N", SwingConstants.RIGHT) JTFn = JTextField(N) Lslope = JLabel("Slope", SwingConstants.RIGHT) JTFslope = JTextField(slope) Lcycle = JLabel("Cycle", SwingConstants.RIGHT) JTFcycle = JTextField(cycle) echoB = JRadioButton("sum odd echoes") aechoB = JRadioButton("sum even echoes") bechoB = JRadioButton("sum all echoes") button1 = JButton('OK', actionPerformed=validated) button2 = JButton('Cancel', actionPerformed=canceled) # create window with title frame0 = JFrame('TopSPin / Python GUI Example') # set window size x, y frame0.setSize(500, 300) frame0.setLayout(GridLayout(0,1)) frame1 = JPanel(GridLayout(0,2)) frame0.add(frame1) frame2 = JPanel() frame0.add(frame2) frame3 = JPanel() frame0.add(frame3) grpB = ButtonGroup() grpB.add(echoB) grpB.add(aechoB) grpB.add(bechoB) # layout manager for horizontal alignment frame1.add(Lgb) frame1.add(JTFgb) frame1.add(Llb) frame1.add(JTFlb) frame1.add(Lcycle) frame1.add(JTFcycle) frame1.add(Ln) frame1.add(JTFn) frame1.add(Lslope) frame1.add(JTFslope) frame2.add(echoB) frame2.add(aechoB) frame2.add(bechoB) frame3.add(button1) frame3.add(button2) frame0.setDefaultCloseOperation(WindowConstants.DISPOSE_ON_CLOSE) frame0.setVisible(True)
jtrebosc/JTutils
TSpy/qcpmgadd2DWin.py
Python
bsd-3-clause
3,320
[ "Gaussian" ]
3e2fb955ec60dd53b3ae15b50ad6fe764fae4c027bb39327ed8d09251eca7f72
# # This source file is part of appleseed. # Visit http://appleseedhq.net/ for additional information and resources. # # This software is released under the MIT license. # # Copyright (c) 2014-2017 The appleseedhq Organization # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # import bpy from bpy_extras.io_utils import ExportHelper from . import project_file_writer from . import util class ExportAppleseedScene(bpy.types.Operator, ExportHelper): """ Export the scene to an appleseed project on disk. """ bl_idname = "appleseed.export_scene" bl_label = "Export appleseed Scene" filename_ext = ".appleseed" filter_glob = bpy.props.StringProperty(default="*.appleseed", options={'HIDDEN'}) @classmethod def poll(cls, context): renderer = context.scene.render return renderer.engine == 'APPLESEED_RENDER' def execute(self, context): exporter = project_file_writer.Exporter() exporter.export(context.scene, util.realpath(self.filepath)) return {'FINISHED'} def menu_func_export_scene(self, context): self.layout.operator(ExportAppleseedScene.bl_idname, text="appleseed (.appleseed)") def register(): bpy.utils.register_class(ExportAppleseedScene) bpy.types.INFO_MT_file_export.append(menu_func_export_scene) def unregister(): bpy.utils.unregister_class(ExportAppleseedScene) bpy.types.INFO_MT_file_export.remove(menu_func_export_scene)
jasperges/blenderseed
export.py
Python
mit
2,457
[ "VisIt" ]
e888d19ef05d9b3e422f3a9e07f6667a22343f15f7d7055b2294756804ec2aef
#!/usr/bin/env python # -*- coding: utf-8 -*- # Copyright (c) 2019 Satpy developers # # This file is part of satpy. # # satpy is free software: you can redistribute it and/or modify it under the # terms of the GNU General Public License as published by the Free Software # Foundation, either version 3 of the License, or (at your option) any later # version. # # satpy is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR # A PARTICULAR PURPOSE. See the GNU General Public License for more details. # # You should have received a copy of the GNU General Public License along with # satpy. If not, see <http://www.gnu.org/licenses/>. """VIIRS Active Fires Tests. This module implements tests for VIIRS Active Fires NetCDF and ASCII file readers. """ import io import os import unittest from unittest import mock import dask.dataframe as dd import numpy as np import pandas as pd from satpy.readers.file_handlers import BaseFileHandler from satpy.tests.reader_tests.test_netcdf_utils import FakeNetCDF4FileHandler from satpy.tests.utils import convert_file_content_to_data_array DEFAULT_FILE_SHAPE = (1, 100) DEFAULT_LATLON_FILE_DTYPE = np.float32 DEFAULT_LATLON_FILE_DATA = np.arange(start=43, stop=45, step=0.02, dtype=DEFAULT_LATLON_FILE_DTYPE).reshape(DEFAULT_FILE_SHAPE) DEFAULT_DETECTION_FILE_DTYPE = np.uint8 DEFAULT_DETECTION_FILE_DATA = np.arange(start=60, stop=100, step=0.4, dtype=DEFAULT_DETECTION_FILE_DTYPE).reshape(DEFAULT_FILE_SHAPE) DEFAULT_M13_FILE_DTYPE = np.float32 DEFAULT_M13_FILE_DATA = np.arange(start=300, stop=340, step=0.4, dtype=DEFAULT_M13_FILE_DTYPE).reshape(DEFAULT_FILE_SHAPE) DEFAULT_POWER_FILE_DTYPE = np.float32 DEFAULT_POWER_FILE_DATA = np.arange(start=1, stop=25, step=0.24, dtype=DEFAULT_POWER_FILE_DTYPE).reshape(DEFAULT_FILE_SHAPE) class FakeModFiresNetCDF4FileHandler(FakeNetCDF4FileHandler): """Swap in CDF4 file handler.""" def get_test_content(self, filename, filename_info, filename_type): """Mimic reader input file content.""" file_content = {} file_content['/attr/data_id'] = "AFMOD" file_content['satellite_name'] = "npp" file_content['sensor'] = 'VIIRS' file_content['Fire Pixels/FP_latitude'] = DEFAULT_LATLON_FILE_DATA file_content['Fire Pixels/FP_longitude'] = DEFAULT_LATLON_FILE_DATA file_content['Fire Pixels/FP_power'] = DEFAULT_POWER_FILE_DATA file_content['Fire Pixels/FP_T13'] = DEFAULT_M13_FILE_DATA file_content['Fire Pixels/FP_T13/attr/units'] = 'kelvins' file_content['Fire Pixels/FP_confidence'] = DEFAULT_DETECTION_FILE_DATA file_content['Fire Pixels/attr/units'] = 'none' file_content['Fire Pixels/shape'] = DEFAULT_FILE_SHAPE attrs = ('FP_latitude', 'FP_longitude', 'FP_T13', 'FP_confidence') convert_file_content_to_data_array( file_content, attrs=attrs, dims=('z', 'fakeDim0', 'fakeDim1')) return file_content class FakeImgFiresNetCDF4FileHandler(FakeNetCDF4FileHandler): """Swap in CDF4 file handler.""" def get_test_content(self, filename, filename_info, filename_type): """Mimic reader input file content.""" file_content = {} file_content['/attr/data_id'] = "AFIMG" file_content['satellite_name'] = "npp" file_content['sensor'] = 'VIIRS' file_content['FP_latitude'] = DEFAULT_LATLON_FILE_DATA file_content['FP_longitude'] = DEFAULT_LATLON_FILE_DATA file_content['FP_power'] = DEFAULT_POWER_FILE_DATA file_content['FP_T4'] = DEFAULT_M13_FILE_DATA file_content['FP_T4/attr/units'] = 'kelvins' file_content['FP_confidence'] = DEFAULT_DETECTION_FILE_DATA attrs = ('FP_latitude', 'FP_longitude', 'FP_T13', 'FP_confidence') convert_file_content_to_data_array( file_content, attrs=attrs, dims=('z', 'fakeDim0', 'fakeDim1')) return file_content class FakeModFiresTextFileHandler(BaseFileHandler): """Fake file handler for text files at moderate resolution.""" def __init__(self, filename, filename_info, filetype_info, **kwargs): """Get fake file content from 'get_test_content'.""" super(FakeModFiresTextFileHandler, self).__init__(filename, filename_info, filetype_info) self.file_content = self.get_test_content() platform_key = {"NPP": "Suomi-NPP", "J01": "NOAA-20", "J02": "NOAA-21"} self.platform_name = platform_key.get(self.filename_info['satellite_name'].upper(), "unknown") def get_test_content(self): """Create fake test file content.""" fake_file = io.StringIO(u'''\n\n\n\n\n\n\n\n\n\n\n\n\n\n 24.64015007, -107.57017517, 317.38290405, 0.75, 0.75, 40, 4.28618050 25.90660477, -100.06127167, 331.17962646, 0.75, 0.75, 81, 20.61096764''') return dd.from_pandas(pd.read_csv(fake_file, skiprows=15, header=None, names=["latitude", "longitude", "T13", "Along-scan", "Along-track", "confidence_pct", "power"]), chunksize=1) class FakeImgFiresTextFileHandler(BaseFileHandler): """Fake file handler for text files at image resolution.""" def __init__(self, filename, filename_info, filetype_info, **kwargs): """Get fake file content from 'get_test_content'.""" super(FakeImgFiresTextFileHandler, self).__init__(filename, filename_info, filetype_info) self.file_content = self.get_test_content() def get_test_content(self): """Create fake test file content.""" fake_file = io.StringIO(u'''\n\n\n\n\n\n\n\n\n\n\n\n\n\n 24.64015007, -107.57017517, 317.38290405, 0.75, 0.75, 40, 4.28618050 25.90660477, -100.06127167, 331.17962646, 0.75, 0.75, 81, 20.61096764''') platform_key = {"NPP": "Suomi-NPP", "J01": "NOAA-20", "J02": "NOAA-21"} self.platform_name = platform_key.get(self.filename_info['satellite_name'].upper(), "unknown") return dd.from_pandas(pd.read_csv(fake_file, skiprows=15, header=None, names=["latitude", "longitude", "T4", "Along-scan", "Along-track", "confidence_cat", "power"]), chunksize=1) class TestModVIIRSActiveFiresNetCDF4(unittest.TestCase): """Test VIIRS Fires Reader.""" yaml_file = 'viirs_edr_active_fires.yaml' def setUp(self): """Wrap CDF4 file handler with own fake file handler.""" from satpy._config import config_search_paths from satpy.readers.viirs_edr_active_fires import VIIRSActiveFiresFileHandler self.reader_configs = config_search_paths(os.path.join('readers', self.yaml_file)) self.p = mock.patch.object(VIIRSActiveFiresFileHandler, '__bases__', (FakeModFiresNetCDF4FileHandler,)) self.fake_handler = self.p.start() self.p.is_local = True def tearDown(self): """Stop wrapping the CDF4 file handler.""" self.p.stop() def test_init(self): """Test basic init with no extra parameters.""" from satpy.readers import load_reader r = load_reader(self.reader_configs) loadables = r.select_files_from_pathnames([ 'AFMOD_j02_d20180829_t2015451_e2017093_b35434_c20180829210527716708_cspp_dev.nc' ]) self.assertEqual(len(loadables), 1) r.create_filehandlers(loadables) self.assertTrue(r.file_handlers) def test_load_dataset(self): """Test loading all datasets.""" from satpy.readers import load_reader r = load_reader(self.reader_configs) loadables = r.select_files_from_pathnames([ 'AFMOD_j02_d20180829_t2015451_e2017093_b35434_c20180829210527716708_cspp_dev.nc' ]) r.create_filehandlers(loadables) datasets = r.load(['confidence_pct']) self.assertEqual(len(datasets), 1) for v in datasets.values(): self.assertEqual(v.attrs['units'], '%') self.assertEqual(v.attrs['_FillValue'], 255) self.assertTrue(np.issubdtype(v.dtype, DEFAULT_DETECTION_FILE_DTYPE)) datasets = r.load(['T13']) self.assertEqual(len(datasets), 1) for v in datasets.values(): self.assertEqual(v.attrs['units'], 'K') datasets = r.load(['power']) self.assertEqual(len(datasets), 1) for v in datasets.values(): self.assertEqual(v.attrs['units'], 'MW') self.assertEqual(v.attrs['platform_name'], 'NOAA-21') self.assertEqual(v.attrs['sensor'], 'VIIRS') class TestImgVIIRSActiveFiresNetCDF4(unittest.TestCase): """Test VIIRS Fires Reader.""" yaml_file = 'viirs_edr_active_fires.yaml' def setUp(self): """Wrap CDF4 file handler with own fake file handler.""" from satpy._config import config_search_paths from satpy.readers.viirs_edr_active_fires import VIIRSActiveFiresFileHandler self.reader_configs = config_search_paths(os.path.join('readers', self.yaml_file)) self.p = mock.patch.object(VIIRSActiveFiresFileHandler, '__bases__', (FakeImgFiresNetCDF4FileHandler,)) self.fake_handler = self.p.start() self.p.is_local = True def tearDown(self): """Stop wrapping the CDF4 file handler.""" self.p.stop() def test_init(self): """Test basic init with no extra parameters.""" from satpy.readers import load_reader r = load_reader(self.reader_configs) loadables = r.select_files_from_pathnames([ 'AFIMG_npp_d20180829_t2015451_e2017093_b35434_c20180829210527716708_cspp_dev.nc' ]) self.assertEqual(len(loadables), 1) r.create_filehandlers(loadables) self.assertTrue(r.file_handlers) def test_load_dataset(self): """Test loading all datasets.""" from satpy.readers import load_reader r = load_reader(self.reader_configs) loadables = r.select_files_from_pathnames([ 'AFIMG_npp_d20180829_t2015451_e2017093_b35434_c20180829210527716708_cspp_dev.nc' ]) r.create_filehandlers(loadables) datasets = r.load(['confidence_cat']) self.assertEqual(len(datasets), 1) for v in datasets.values(): self.assertEqual(v.attrs['units'], '1') self.assertEqual(v.attrs['flag_meanings'], ['low', 'medium', 'high']) self.assertEqual(v.attrs['flag_values'], [7, 8, 9]) datasets = r.load(['T4']) self.assertEqual(len(datasets), 1) for v in datasets.values(): self.assertEqual(v.attrs['units'], 'K') datasets = r.load(['power']) self.assertEqual(len(datasets), 1) for v in datasets.values(): self.assertEqual(v.attrs['units'], 'MW') self.assertEqual(v.attrs['platform_name'], 'Suomi-NPP') self.assertEqual(v.attrs['sensor'], 'VIIRS') @mock.patch('satpy.readers.viirs_edr_active_fires.dd.read_csv') class TestModVIIRSActiveFiresText(unittest.TestCase): """Test VIIRS Fires Reader.""" yaml_file = 'viirs_edr_active_fires.yaml' def setUp(self): """Wrap file handler with own fake file handler.""" from satpy._config import config_search_paths from satpy.readers.viirs_edr_active_fires import VIIRSActiveFiresTextFileHandler self.reader_configs = config_search_paths(os.path.join('readers', self.yaml_file)) self.p = mock.patch.object(VIIRSActiveFiresTextFileHandler, '__bases__', (FakeModFiresTextFileHandler,)) self.fake_handler = self.p.start() self.p.is_local = True def tearDown(self): """Stop wrapping the text file handler.""" self.p.stop() def test_init(self, mock_obj): """Test basic init with no extra parameters.""" from satpy.readers import load_reader r = load_reader(self.reader_configs) loadables = r.select_files_from_pathnames([ 'AFEDR_j01_d20180829_t2015451_e2017093_b35434_c20180829210527716708_cspp_dev.txt' ]) self.assertEqual(len(loadables), 1) r.create_filehandlers(loadables) self.assertTrue(r.file_handlers) def test_load_dataset(self, csv_mock): """Test loading all datasets.""" from satpy.readers import load_reader r = load_reader(self.reader_configs) loadables = r.select_files_from_pathnames([ 'AFEDR_j01_d20180829_t2015451_e2017093_b35434_c20180829210527716708_cspp_dev.txt' ]) r.create_filehandlers(loadables) datasets = r.load(['confidence_pct']) self.assertEqual(len(datasets), 1) for v in datasets.values(): self.assertEqual(v.attrs['units'], '%') datasets = r.load(['T13']) self.assertEqual(len(datasets), 1) for v in datasets.values(): self.assertEqual(v.attrs['units'], 'K') datasets = r.load(['power']) self.assertEqual(len(datasets), 1) for v in datasets.values(): self.assertEqual(v.attrs['units'], 'MW') self.assertEqual(v.attrs['platform_name'], 'NOAA-20') self.assertEqual(v.attrs['sensor'], 'VIIRS') @mock.patch('satpy.readers.viirs_edr_active_fires.dd.read_csv') class TestImgVIIRSActiveFiresText(unittest.TestCase): """Test VIIRS Fires Reader.""" yaml_file = 'viirs_edr_active_fires.yaml' def setUp(self): """Wrap file handler with own fake file handler.""" from satpy._config import config_search_paths from satpy.readers.viirs_edr_active_fires import VIIRSActiveFiresTextFileHandler self.reader_configs = config_search_paths(os.path.join('readers', self.yaml_file)) self.p = mock.patch.object(VIIRSActiveFiresTextFileHandler, '__bases__', (FakeImgFiresTextFileHandler,)) self.fake_handler = self.p.start() self.p.is_local = True def tearDown(self): """Stop wrapping the text file handler.""" self.p.stop() def test_init(self, mock_obj): """Test basic init with no extra parameters.""" from satpy.readers import load_reader r = load_reader(self.reader_configs) loadables = r.select_files_from_pathnames([ 'AFIMG_npp_d20180829_t2015451_e2017093_b35434_c20180829210527716708_cspp_dev.txt' ]) self.assertEqual(len(loadables), 1) r.create_filehandlers(loadables) self.assertTrue(r.file_handlers) def test_load_dataset(self, mock_obj): """Test loading all datasets.""" from satpy.readers import load_reader r = load_reader(self.reader_configs) loadables = r.select_files_from_pathnames([ 'AFIMG_npp_d20180829_t2015451_e2017093_b35434_c20180829210527716708_cspp_dev.txt' ]) r.create_filehandlers(loadables) datasets = r.load(['confidence_cat']) self.assertEqual(len(datasets), 1) for v in datasets.values(): self.assertEqual(v.attrs['units'], '1') self.assertEqual(v.attrs['flag_meanings'], ['low', 'medium', 'high']) self.assertEqual(v.attrs['flag_values'], [7, 8, 9]) datasets = r.load(['T4']) self.assertEqual(len(datasets), 1) for v in datasets.values(): self.assertEqual(v.attrs['units'], 'K') datasets = r.load(['power']) self.assertEqual(len(datasets), 1) for v in datasets.values(): self.assertEqual(v.attrs['units'], 'MW') self.assertEqual(v.attrs['platform_name'], 'Suomi-NPP') self.assertEqual(v.attrs['sensor'], 'VIIRS')
pytroll/satpy
satpy/tests/reader_tests/test_viirs_edr_active_fires.py
Python
gpl-3.0
16,145
[ "NetCDF" ]
8de3ab9e2e8fcf367da7cefa128c6cc42f28f7a4c85eba226eacbe1d82e6a7fa
""" Copyright (C) 2014, Jaguar Land Rover This program is licensed under the terms and conditions of the Mozilla Public License, version 2.0. The full text of the Mozilla Public License is at https://www.mozilla.org/MPL/2.0/ Maintainer: Rudolf Streif (rstreif@jaguarlandrover.com) Author: David Thiriez (david.thiriez@p3-group.com) Log invoked services. """ import os, threading, base64, json from urlparse import urlparse import Queue from rvijsonrpc import RVIJSONRPCServer from dateutil import parser import requests, pytz import __init__ from __init__ import __RVI_LOGGER__ as rvi_logger from servicehistory.tasks import send_service_invoked_by_guest from server.utils import get_setting from django.contrib.auth.models import User from vehicles.models import Vehicle from servicehistory.models import ServiceInvokedHistory # globals package_queue = Queue.Queue() SERVER_NAME = "Log Invoked Service Server: " transaction_id = 0 # Log Invoked Service Callback Server class LogInvokedServicesServer(threading.Thread): """ RPC server thread responding to Remote callbacks from the RVI framework. i.e. record service request that occur at the vehicle/RasPi """ def __init__(self, service_edge, callback_url, service_id): self.service_edge = service_edge self.service_id = service_id self.callback_url = callback_url threading.Thread.__init__(self) url = urlparse(self.callback_url) self.localServer = RVIJSONRPCServer(addr=((url.hostname, url.port)), logRequests=False) self.register_services() def register_services(self): # register callback functions with RPC server self.localServer.register_function(log_invoked_service, self.service_id + "/report/serviceinvoked") # register services with RVI framework result = self.service_edge.register_service(service = self.service_id+'/report/serviceinvoked', network_address = self.callback_url) rvi_logger.info(SERVER_NAME + 'Registration: %s', result['service']) def run(self): self.localServer.serve_forever() def shutdown(self): self.localServer.shutdown() # Callback functions def log_invoked_service(username, vehicleVIN, service, latitude, longitude, timestamp): rvi_logger.info(SERVER_NAME + 'Create new remote request: \n' 'username: %s\n' 'vehicleVIN: %s\n' 'service: %s\n' 'latitude: %s\n' 'longitude: %s\n' 'timestamp: %s' , username, vehicleVIN, service, latitude, longitude, timestamp) t1 = threading.Thread(target=thread_log_invoked_service, args=( username, vehicleVIN, service, latitude, longitude, timestamp, )) t1.start() return {u'status': 0} # Support (thread) functions def thread_log_invoked_service(username, vehicleVIN, service, latitude, longitude, timestamp): try: serviceinvoked = validate_log_invoked_service(username, vehicleVIN, service, latitude, longitude, timestamp) except Exception: rvi_logger.exception(SERVER_NAME + 'Received data did not pass validation') serviceinvoked.save() rvi_logger.info(SERVER_NAME + 'Saved log of the following service invoked record: %s', serviceinvoked) vehicle = Vehicle.objects.get(veh_vin = vehicleVIN) owner_username = vehicle.list_account() if owner_username != username: send_service_invoked_by_guest(owner_username, username, vehicleVIN, service) # Validation functions def validate_log_invoked_service(username, vehicleVIN, service, latitude, longitude, timestamp): try: user = User.objects.get(username=username) vehicle = Vehicle.objects.get(veh_vin=vehicleVIN) service_timestamp = parser.parse(str(timestamp).replace('T', ' ').replace('0Z',' +0000')) api_key = get_setting("GOOGLE_API_KEY") if api_key: address = reverse_geocode_googleapi(latitude, longitude, api_key) else: address = str(latitude)+', '+str(longitude) except User.DoesNotExist: rvi_logger.error(SERVER_NAME + 'username does not exist: %s', username) raise except Vehicle.DoesNotExist: rvi_logger.error(SERVER_NAME + 'VIN does not exist: %s', vehicleVIN) raise except Exception as e: rvi_logger.error(SERVER_NAME + 'Generic Error: %s', e) raise return ServiceInvokedHistory( hist_user = user, hist_service = service, hist_latitude = latitude, hist_longitude = longitude, hist_address = address, hist_vehicle = vehicle, hist_timestamp = service_timestamp ) # Support functions def reverse_geocode_googleapi(latitude, longitude, api_key): # Sensor set to True since GPS coords coming from the mobile app sensor = 'true' base = "https://maps.googleapis.com/maps/api/geocode/json?" params = "latlng={lat},{lon}&sensor={sen}&key={key}".format( lat=latitude, lon=longitude, sen=sensor, key=api_key ) url = "{base}{params}".format(base=base, params=params) response = requests.get(url) # rvi_logger.info('Google Detailed Response: %s', response.content) rvi_logger.info('Google JSON Response: %s', response.json) return response.json()['results'][0]['formatted_address']
dvthiriez/rvi_backend
server/loginvokedserviceserver.py
Python
mpl-2.0
5,510
[ "Jaguar" ]
2fd3bdafeae981a4b70fcee745e08a56a22270690fc54124824ca0b17b4a6a1b
# ---------------------------------------------------------------------------- # Copyright (c) 2013--, scikit-bio development team. # # Distributed under the terms of the Modified BSD License. # # The full license is in the file COPYING.txt, distributed with this software. # ---------------------------------------------------------------------------- from unittest import TestCase, main import numpy as np import numpy.testing as npt import pandas.util.testing as pdt from numpy.random import normal import pandas as pd import scipy import copy from skbio.util import assert_data_frame_almost_equal from skbio.stats.composition import (closure, multiplicative_replacement, perturb, perturb_inv, power, inner, clr, clr_inv, ilr, ilr_inv, centralize, _holm_bonferroni, ancom) class CompositionTests(TestCase): def setUp(self): # Compositional data self.cdata1 = np.array([[2, 2, 6], [4, 4, 2]]) self.cdata2 = np.array([2, 2, 6]) self.cdata3 = np.array([[1, 2, 3, 0, 5], [1, 0, 0, 4, 5], [1, 2, 3, 4, 5]]) self.cdata4 = np.array([1, 2, 3, 0, 5]) self.cdata5 = [[2, 2, 6], [4, 4, 2]] self.cdata6 = [[1, 2, 3, 0, 5], [1, 0, 0, 4, 5], [1, 2, 3, 4, 5]] self.cdata7 = [np.exp(1), 1, 1] self.cdata8 = [np.exp(1), 1, 1, 1] # Simplicial orthonormal basis obtained from Gram-Schmidt self.ortho1 = [[0.44858053, 0.10905743, 0.22118102, 0.22118102], [0.3379924, 0.3379924, 0.0993132, 0.22470201], [0.3016453, 0.3016453, 0.3016453, 0.09506409]] # Real data self.rdata1 = [[0.70710678, -0.70710678, 0., 0.], [0.40824829, 0.40824829, -0.81649658, 0.], [0.28867513, 0.28867513, 0.28867513, -0.8660254]] # Bad datasets # negative count self.bad1 = np.array([1, 2, -1]) # zero count self.bad2 = np.array([[[1, 2, 3, 0, 5]]]) def test_closure(self): npt.assert_allclose(closure(self.cdata1), np.array([[.2, .2, .6], [.4, .4, .2]])) npt.assert_allclose(closure(self.cdata2), np.array([.2, .2, .6])) npt.assert_allclose(closure(self.cdata5), np.array([[.2, .2, .6], [.4, .4, .2]])) with self.assertRaises(ValueError): closure(self.bad1) with self.assertRaises(ValueError): closure(self.bad2) # make sure that inplace modification is not occurring closure(self.cdata2) npt.assert_allclose(self.cdata2, np.array([2, 2, 6])) def test_closure_warning(self): with self.assertRaises(ValueError): closure([0., 0., 0.]) with self.assertRaises(ValueError): closure([[0., 0., 0.], [0., 5., 5.]]) def test_perturb(self): pmat = perturb(closure(self.cdata1), closure(np.array([1, 1, 1]))) npt.assert_allclose(pmat, np.array([[.2, .2, .6], [.4, .4, .2]])) pmat = perturb(closure(self.cdata1), closure(np.array([10, 10, 20]))) npt.assert_allclose(pmat, np.array([[.125, .125, .75], [1./3, 1./3, 1./3]])) pmat = perturb(closure(self.cdata1), closure(np.array([10, 10, 20]))) npt.assert_allclose(pmat, np.array([[.125, .125, .75], [1./3, 1./3, 1./3]])) pmat = perturb(closure(self.cdata2), closure([1, 2, 1])) npt.assert_allclose(pmat, np.array([1./6, 2./6, 3./6])) pmat = perturb(closure(self.cdata5), closure(np.array([1, 1, 1]))) npt.assert_allclose(pmat, np.array([[.2, .2, .6], [.4, .4, .2]])) with self.assertRaises(ValueError): perturb(closure(self.cdata5), self.bad1) # make sure that inplace modification is not occurring perturb(self.cdata2, [1, 2, 3]) npt.assert_allclose(self.cdata2, np.array([2, 2, 6])) def test_power(self): pmat = power(closure(self.cdata1), 2) npt.assert_allclose(pmat, np.array([[.04/.44, .04/.44, .36/.44], [.16/.36, .16/.36, .04/.36]])) pmat = power(closure(self.cdata2), 2) npt.assert_allclose(pmat, np.array([.04, .04, .36])/.44) pmat = power(closure(self.cdata5), 2) npt.assert_allclose(pmat, np.array([[.04/.44, .04/.44, .36/.44], [.16/.36, .16/.36, .04/.36]])) with self.assertRaises(ValueError): power(self.bad1, 2) # make sure that inplace modification is not occurring power(self.cdata2, 4) npt.assert_allclose(self.cdata2, np.array([2, 2, 6])) def test_perturb_inv(self): pmat = perturb_inv(closure(self.cdata1), closure([.1, .1, .1])) imat = perturb(closure(self.cdata1), closure([10, 10, 10])) npt.assert_allclose(pmat, imat) pmat = perturb_inv(closure(self.cdata1), closure([1, 1, 1])) npt.assert_allclose(pmat, closure([[.2, .2, .6], [.4, .4, .2]])) pmat = perturb_inv(closure(self.cdata5), closure([.1, .1, .1])) imat = perturb(closure(self.cdata1), closure([10, 10, 10])) npt.assert_allclose(pmat, imat) with self.assertRaises(ValueError): perturb_inv(closure(self.cdata1), self.bad1) # make sure that inplace modification is not occurring perturb_inv(self.cdata2, [1, 2, 3]) npt.assert_allclose(self.cdata2, np.array([2, 2, 6])) def test_inner(self): a = inner(self.cdata5, self.cdata5) npt.assert_allclose(a, np.array([[0.80463264, -0.50766667], [-0.50766667, 0.32030201]])) b = inner(self.cdata7, self.cdata7) npt.assert_allclose(b, 0.66666666666666663) # Make sure that orthogonality holds npt.assert_allclose(inner(self.ortho1, self.ortho1), np.identity(3), rtol=1e-04, atol=1e-06) with self.assertRaises(ValueError): inner(self.cdata1, self.cdata8) # make sure that inplace modification is not occurring inner(self.cdata1, self.cdata1) npt.assert_allclose(self.cdata1, np.array([[2, 2, 6], [4, 4, 2]])) def test_multiplicative_replacement(self): amat = multiplicative_replacement(closure(self.cdata3)) npt.assert_allclose(amat, np.array([[0.087273, 0.174545, 0.261818, 0.04, 0.436364], [0.092, 0.04, 0.04, 0.368, 0.46], [0.066667, 0.133333, 0.2, 0.266667, 0.333333]]), rtol=1e-5, atol=1e-5) amat = multiplicative_replacement(closure(self.cdata4)) npt.assert_allclose(amat, np.array([0.087273, 0.174545, 0.261818, 0.04, 0.436364]), rtol=1e-5, atol=1e-5) amat = multiplicative_replacement(closure(self.cdata6)) npt.assert_allclose(amat, np.array([[0.087273, 0.174545, 0.261818, 0.04, 0.436364], [0.092, 0.04, 0.04, 0.368, 0.46], [0.066667, 0.133333, 0.2, 0.266667, 0.333333]]), rtol=1e-5, atol=1e-5) with self.assertRaises(ValueError): multiplicative_replacement(self.bad1) with self.assertRaises(ValueError): multiplicative_replacement(self.bad2) # make sure that inplace modification is not occurring multiplicative_replacement(self.cdata4) npt.assert_allclose(self.cdata4, np.array([1, 2, 3, 0, 5])) def multiplicative_replacement_warning(self): with self.assertRaises(ValueError): multiplicative_replacement([0, 1, 2], delta=1) def test_clr(self): cmat = clr(closure(self.cdata1)) A = np.array([.2, .2, .6]) B = np.array([.4, .4, .2]) npt.assert_allclose(cmat, [np.log(A / np.exp(np.log(A).mean())), np.log(B / np.exp(np.log(B).mean()))]) cmat = clr(closure(self.cdata2)) A = np.array([.2, .2, .6]) npt.assert_allclose(cmat, np.log(A / np.exp(np.log(A).mean()))) cmat = clr(closure(self.cdata5)) A = np.array([.2, .2, .6]) B = np.array([.4, .4, .2]) npt.assert_allclose(cmat, [np.log(A / np.exp(np.log(A).mean())), np.log(B / np.exp(np.log(B).mean()))]) with self.assertRaises(ValueError): clr(self.bad1) with self.assertRaises(ValueError): clr(self.bad2) # make sure that inplace modification is not occurring clr(self.cdata2) npt.assert_allclose(self.cdata2, np.array([2, 2, 6])) def test_clr_inv(self): npt.assert_allclose(clr_inv(self.rdata1), self.ortho1) npt.assert_allclose(clr(clr_inv(self.rdata1)), self.rdata1) # make sure that inplace modification is not occurring clr_inv(self.rdata1) npt.assert_allclose(self.rdata1, np.array([[0.70710678, -0.70710678, 0., 0.], [0.40824829, 0.40824829, -0.81649658, 0.], [0.28867513, 0.28867513, 0.28867513, -0.8660254]])) def test_centralize(self): cmat = centralize(closure(self.cdata1)) npt.assert_allclose(cmat, np.array([[0.22474487, 0.22474487, 0.55051026], [0.41523958, 0.41523958, 0.16952085]])) cmat = centralize(closure(self.cdata5)) npt.assert_allclose(cmat, np.array([[0.22474487, 0.22474487, 0.55051026], [0.41523958, 0.41523958, 0.16952085]])) with self.assertRaises(ValueError): centralize(self.bad1) with self.assertRaises(ValueError): centralize(self.bad2) # make sure that inplace modification is not occurring centralize(self.cdata1) npt.assert_allclose(self.cdata1, np.array([[2, 2, 6], [4, 4, 2]])) def test_ilr(self): mat = closure(self.cdata7) npt.assert_array_almost_equal(ilr(mat), np.array([0.70710678, 0.40824829])) # Should give same result as inner npt.assert_allclose(ilr(self.ortho1), np.identity(3), rtol=1e-04, atol=1e-06) with self.assertRaises(ValueError): ilr(self.cdata1, basis=self.cdata1) # make sure that inplace modification is not occurring ilr(self.cdata1) npt.assert_allclose(self.cdata1, np.array([[2, 2, 6], [4, 4, 2]])) def test_ilr_basis(self): table = np.array([[1., 10.], [1.14141414, 9.90909091], [1.28282828, 9.81818182], [1.42424242, 9.72727273], [1.56565657, 9.63636364]]) basis = np.array([[0.80442968, 0.19557032]]) res = ilr(table, basis=basis) exp = np.array([np.log(1/10)*np.sqrt(1/2), np.log(1.14141414 / 9.90909091)*np.sqrt(1/2), np.log(1.28282828 / 9.81818182)*np.sqrt(1/2), np.log(1.42424242 / 9.72727273)*np.sqrt(1/2), np.log(1.56565657 / 9.63636364)*np.sqrt(1/2)]) npt.assert_allclose(res, exp) def test_ilr_basis_one_dimension_error(self): table = np.array([[1., 10.], [1.14141414, 9.90909091], [1.28282828, 9.81818182], [1.42424242, 9.72727273], [1.56565657, 9.63636364]]) basis = np.array([0.80442968, 0.19557032]) with self.assertRaises(ValueError): ilr(table, basis=basis) def test_ilr_inv(self): mat = closure(self.cdata7) npt.assert_array_almost_equal(ilr_inv(ilr(mat)), mat) npt.assert_allclose(ilr_inv(np.identity(3)), self.ortho1, rtol=1e-04, atol=1e-06) with self.assertRaises(ValueError): ilr_inv(self.cdata1, basis=self.cdata1) # make sure that inplace modification is not occurring ilr_inv(self.cdata1) npt.assert_allclose(self.cdata1, np.array([[2, 2, 6], [4, 4, 2]])) def test_ilr_basis_isomorphism(self): # tests to make sure that the isomorphism holds # with the introduction of the basis. basis = np.array([[0.80442968, 0.19557032]]) table = np.array([[np.log(1/10)*np.sqrt(1/2), np.log(1.14141414 / 9.90909091)*np.sqrt(1/2), np.log(1.28282828 / 9.81818182)*np.sqrt(1/2), np.log(1.42424242 / 9.72727273)*np.sqrt(1/2), np.log(1.56565657 / 9.63636364)*np.sqrt(1/2)]]).T res = ilr(ilr_inv(table, basis=basis), basis=basis) npt.assert_allclose(res, table.squeeze()) table = np.array([[1., 10.], [1.14141414, 9.90909091], [1.28282828, 9.81818182], [1.42424242, 9.72727273], [1.56565657, 9.63636364]]) res = ilr_inv(np.atleast_2d(ilr(table, basis=basis)).T, basis=basis) npt.assert_allclose(res, closure(table.squeeze())) def test_ilr_inv_basis(self): exp = closure(np.array([[1., 10.], [1.14141414, 9.90909091], [1.28282828, 9.81818182], [1.42424242, 9.72727273], [1.56565657, 9.63636364]])) basis = np.array([[0.80442968, 0.19557032]]) table = np.array([[np.log(1/10)*np.sqrt(1/2), np.log(1.14141414 / 9.90909091)*np.sqrt(1/2), np.log(1.28282828 / 9.81818182)*np.sqrt(1/2), np.log(1.42424242 / 9.72727273)*np.sqrt(1/2), np.log(1.56565657 / 9.63636364)*np.sqrt(1/2)]]).T res = ilr_inv(table, basis=basis) npt.assert_allclose(res, exp) def test_ilr_inv_basis_one_dimension_error(self): basis = clr(np.array([[0.80442968, 0.19557032]])) table = np.array([[np.log(1/10)*np.sqrt(1/2), np.log(1.14141414 / 9.90909091)*np.sqrt(1/2), np.log(1.28282828 / 9.81818182)*np.sqrt(1/2), np.log(1.42424242 / 9.72727273)*np.sqrt(1/2), np.log(1.56565657 / 9.63636364)*np.sqrt(1/2)]]).T with self.assertRaises(ValueError): ilr_inv(table, basis=basis) class AncomTests(TestCase): def setUp(self): # Basic count data with 2 groupings self.table1 = pd.DataFrame([ [10, 10, 10, 20, 20, 20], [11, 12, 11, 21, 21, 21], [10, 11, 10, 10, 11, 10], [10, 11, 10, 10, 10, 9], [10, 11, 10, 10, 10, 10], [10, 11, 10, 10, 10, 11], [10, 13, 10, 10, 10, 12]]).T self.cats1 = pd.Series([0, 0, 0, 1, 1, 1]) # Real valued data with 2 groupings D, L = 40, 80 np.random.seed(0) self.table2 = np.vstack((np.concatenate((normal(10, 1, D), normal(200, 1, D))), np.concatenate((normal(20, 1, D), normal(100000, 1, D))), normal(10, 1, L), normal(10, 1, L), np.concatenate((normal(20, 1, D), normal(100000, 1, D))), normal(10, 1, L), normal(10, 1, L), normal(10, 1, L), normal(10, 1, L))) self.table2 = np.absolute(self.table2) self.table2 = pd.DataFrame(self.table2.astype(np.int).T) self.cats2 = pd.Series([0]*D + [1]*D) # Real valued data with 2 groupings and no significant difference self.table3 = pd.DataFrame([ [10, 10.5, 10, 10, 10.5, 10.3], [11, 11.5, 11, 11, 11.5, 11.3], [10, 10.5, 10, 10, 10.5, 10.2], [10, 10.5, 10, 10, 10.5, 10.3], [10, 10.5, 10, 10, 10.5, 10.1], [10, 10.5, 10, 10, 10.5, 10.6], [10, 10.5, 10, 10, 10.5, 10.4]]).T self.cats3 = pd.Series([0, 0, 0, 1, 1, 1]) # Real valued data with 3 groupings D, L = 40, 120 np.random.seed(0) self.table4 = np.vstack((np.concatenate((normal(10, 1, D), normal(200, 1, D), normal(400, 1, D))), np.concatenate((normal(20, 1, D), normal(100000, 1, D), normal(2000, 1, D))), normal(10, 1, L), normal(10, 1, L), np.concatenate((normal(20, 1, D), normal(100000, 1, D), normal(2000, 1, D))), normal(10, 1, L), normal(10, 1, L), normal(10, 1, L), normal(10, 1, L))) self.table4 = np.absolute(self.table4) self.table4 = pd.DataFrame(self.table4.astype(np.int).T) self.cats4 = pd.Series([0]*D + [1]*D + [2]*D) # Noncontiguous case self.table5 = pd.DataFrame([ [11, 12, 21, 11, 21, 21], [10, 11, 10, 10, 11, 10], [10, 11, 10, 10, 10, 9], [10, 11, 10, 10, 10, 10], [10, 11, 10, 10, 10, 11], [10, 10, 20, 9, 20, 20], [10, 13, 10, 10, 10, 12]]).T self.cats5 = pd.Series([0, 0, 1, 0, 1, 1]) # Different number of classes case self.table6 = pd.DataFrame([ [11, 12, 9, 11, 21, 21], [10, 11, 10, 10, 11, 10], [10, 11, 10, 10, 10, 9], [10, 11, 10, 10, 10, 10], [10, 11, 10, 10, 10, 11], [10, 10, 10, 9, 20, 20], [10, 13, 10, 10, 10, 12]]).T self.cats6 = pd.Series([0, 0, 0, 0, 1, 1]) # Categories are letters self.table7 = pd.DataFrame([ [11, 12, 9, 11, 21, 21], [10, 11, 10, 10, 11, 10], [10, 11, 10, 10, 10, 9], [10, 11, 10, 10, 10, 10], [10, 11, 10, 10, 10, 11], [10, 10, 10, 9, 20, 20], [10, 13, 10, 10, 10, 12]]).T self.cats7 = pd.Series(['a', 'a', 'a', 'a', 'b', 'b']) # Swap samples self.table8 = pd.DataFrame([ [10, 10, 10, 20, 20, 20], [11, 12, 11, 21, 21, 21], [10, 11, 10, 10, 11, 10], [10, 11, 10, 10, 10, 9], [10, 11, 10, 10, 10, 10], [10, 11, 10, 10, 10, 11], [10, 13, 10, 10, 10, 12]]).T self.table8.index = ['a', 'b', 'c', 'd', 'e', 'f'] self.cats8 = pd.Series([0, 0, 1, 0, 1, 1], index=['a', 'b', 'd', 'c', 'e', 'f']) # Real valued data with 3 groupings D, L = 40, 120 np.random.seed(0) self.table9 = np.vstack((np.concatenate((normal(10, 1, D), normal(200, 1, D), normal(400, 1, D))), np.concatenate((normal(200000, 1, D), normal(10, 1, D), normal(2000, 1, D))), normal(10, 10, L), normal(10, 10, L), np.concatenate((normal(2000, 1, D), normal(100000, 1, D), normal(2000, 1, D))), normal(10000, 1000, L), normal(10, 10, L), normal(10, 10, L), normal(10, 10, L), normal(10000, 1000, L), normal(10, 10, L), normal(10, 10, L), normal(10, 10, L), np.concatenate((normal(2000, 1, D), normal(100000, 1, D), normal(2000, 1, D))), normal(10000, 1000, L), normal(10, 10, L), normal(10, 10, L), normal(10, 10, L))) self.table9 = np.absolute(self.table9)+1 self.table9 = pd.DataFrame(self.table9.astype(np.int).T) self.cats9 = pd.Series([0]*D + [1]*D + [2]*D) # Real valued data with 2 groupings D, L = 40, 80 np.random.seed(0) self.table10 = np.vstack((np.concatenate((normal(10, 1, D), normal(200, 1, D))), np.concatenate((normal(10, 1, D), normal(200, 1, D))), np.concatenate((normal(20, 10, D), normal(100, 10, D))), normal(10, 1, L), np.concatenate((normal(200, 100, D), normal(100000, 100, D))), np.concatenate((normal(200000, 100, D), normal(300, 100, D))), np.concatenate((normal(200000, 100, D), normal(300, 100, D))), np.concatenate((normal(20, 20, D), normal(40, 10, D))), np.concatenate((normal(20, 20, D), normal(40, 10, D))), np.concatenate((normal(20, 20, D), normal(40, 10, D))), normal(100, 10, L), normal(100, 10, L), normal(1000, 10, L), normal(1000, 10, L), normal(10, 10, L), normal(10, 10, L), normal(10, 10, L), normal(10, 10, L))) self.table10 = np.absolute(self.table10) + 1 self.table10 = pd.DataFrame(self.table10.astype(np.int).T) self.cats10 = pd.Series([0]*D + [1]*D) # zero count self.bad1 = pd.DataFrame(np.array([ [10, 10, 10, 20, 20, 0], [11, 11, 11, 21, 21, 21], [10, 10, 10, 10, 10, 10], [10, 10, 10, 10, 10, 10], [10, 10, 10, 10, 10, 10], [10, 10, 10, 10, 10, 10], [10, 10, 10, 10, 10, 10]]).T) # negative count self.bad2 = pd.DataFrame(np.array([ [10, 10, 10, 20, 20, 1], [11, 11, 11, 21, 21, 21], [10, 10, 10, 10, 10, 10], [10, 10, 10, 10, 10, 10], [10, 10, 10, 10, 10, 10], [10, 10, 10, 10, 10, -1], [10, 10, 10, 10, 10, 10]]).T) # missing count self.bad3 = pd.DataFrame(np.array([ [10, 10, 10, 20, 20, 1], [11, 11, 11, 21, 21, 21], [10, 10, 10, 10, 10, 10], [10, 10, 10, 10, 10, 10], [10, 10, 10, 10, 10, 10], [10, 10, 10, 10, 10, np.nan], [10, 10, 10, 10, 10, 10]]).T) self.badcats1 = pd.Series([0, 0, 0, 1, np.nan, 1]) self.badcats2 = pd.Series([0, 0, 0, 0, 0, 0]) self.badcats3 = pd.Series([0, 0, 1, 1]) self.badcats4 = pd.Series(range(len(self.table1))) self.badcats5 = pd.Series([1]*len(self.table1)) def test_ancom_basic_counts(self): test_table = pd.DataFrame(self.table1) original_table = copy.deepcopy(test_table) test_cats = pd.Series(self.cats1) original_cats = copy.deepcopy(test_cats) result = ancom(test_table, test_cats, multiple_comparisons_correction=None) # Test to make sure that the input table hasn't be altered assert_data_frame_almost_equal(original_table, test_table) # Test to make sure that the input table hasn't be altered pdt.assert_series_equal(original_cats, test_cats) exp = pd.DataFrame( {'W': np.array([5, 5, 2, 2, 2, 2, 2]), 'Reject null hypothesis': np.array([True, True, False, False, False, False, False], dtype=bool)}) assert_data_frame_almost_equal(result[0], exp) def test_ancom_percentiles(self): table = pd.DataFrame([[12, 11], [9, 11], [1, 11], [22, 100], [20, 53], [23, 1]], index=['s1', 's2', 's3', 's4', 's5', 's6'], columns=['b1', 'b2']) grouping = pd.Series(['a', 'a', 'a', 'b', 'b', 'b'], index=['s1', 's2', 's3', 's4', 's5', 's6']) percentiles = [0.0, 25.0, 50.0, 75.0, 100.0] groups = ['a', 'b'] tuples = [(p, g) for g in groups for p in percentiles] exp_mi = pd.MultiIndex.from_tuples(tuples, names=['Percentile', 'Group']) exp_data = np.array( [[1.0, 11.0], [5.0, 11.0], [9.0, 11.0], [10.5, 11.0], [12.0, 11.0], [20.0, 1.0], [21.0, 27.0], [22.0, 53.0], [22.5, 76.5], [23.0, 100.0]]) exp = pd.DataFrame(exp_data.T, columns=exp_mi, index=['b1', 'b2']) result = ancom(table, grouping)[1] assert_data_frame_almost_equal(result, exp) def test_ancom_percentiles_alt_categories(self): table = pd.DataFrame([[12], [9], [1], [22], [20], [23]], index=['s1', 's2', 's3', 's4', 's5', 's6'], columns=['b1']) grouping = pd.Series(['a', 'a', 'c', 'b', 'b', 'c'], index=['s1', 's2', 's3', 's4', 's5', 's6']) percentiles = [0.0, 25.0, 50.0, 75.0, 100.0] groups = ['a', 'b', 'c'] tuples = [(p, g) for g in groups for p in percentiles] exp_mi = pd.MultiIndex.from_tuples(tuples, names=['Percentile', 'Group']) exp_data = np.array([[9.0], [9.75], [10.5], [11.25], [12.0], # a [20.0], [20.5], [21.0], [21.5], [22.0], # b [1.0], [6.5], [12.0], [17.5], [23.0]]) # c exp = pd.DataFrame(exp_data.T, columns=exp_mi, index=['b1']) result = ancom(table, grouping, percentiles=percentiles)[1] assert_data_frame_almost_equal(result, exp) def test_ancom_alt_percentiles(self): table = pd.DataFrame([[12], [9], [1], [22], [20], [23]], index=['s1', 's2', 's3', 's4', 's5', 's6'], columns=['b1']) grouping = pd.Series(['a', 'a', 'a', 'b', 'b', 'b'], index=['s1', 's2', 's3', 's4', 's5', 's6']) percentiles = [42.0, 50.0] groups = ['a', 'b'] tuples = [(p, g) for g in groups for p in percentiles] exp_mi = pd.MultiIndex.from_tuples(tuples, names=['Percentile', 'Group']) exp_data = np.array([[7.71999999], [9.0], # a [21.68], [22.0]]) # b exp = pd.DataFrame(exp_data.T, columns=exp_mi, index=['b1']) result = ancom(table, grouping, percentiles=percentiles)[1] assert_data_frame_almost_equal(result, exp) def test_ancom_percentiles_swapped(self): table = pd.DataFrame([[12], [9], [1], [22], [20], [23]], index=['s1', 's2', 's3', 's4', 's5', 's6'], columns=['b1']) grouping = pd.Series(['a', 'a', 'b', 'a', 'b', 'b'], index=['s1', 's2', 's4', 's3', 's5', 's6']) percentiles = [42.0, 50.0] groups = ['a', 'b'] tuples = [(p, g) for g in groups for p in percentiles] exp_mi = pd.MultiIndex.from_tuples(tuples, names=['Percentile', 'Group']) exp_data = np.array([[7.71999999], [9.0], # a [21.68], [22.0]]) # b exp = pd.DataFrame(exp_data.T, columns=exp_mi, index=['b1']) result = ancom(table, grouping, percentiles=percentiles)[1] assert_data_frame_almost_equal(result, exp) def test_ancom_percentile_order_unimportant(self): table = pd.DataFrame([[12], [9], [1], [22], [20], [23]], index=['s1', 's2', 's3', 's4', 's5', 's6'], columns=['b1']) grouping = pd.Series(['a', 'a', 'a', 'b', 'b', 'b'], index=['s1', 's2', 's3', 's4', 's5', 's6']) # order of percentiles in unimportant after sorting result1 = ancom(table, grouping, percentiles=[50.0, 42.0])[1] result2 = ancom(table, grouping, percentiles=[42.0, 50.0])[1] assert_data_frame_almost_equal( result1.sort_index(axis=1), result2.sort_index(axis=1)) def test_ancom_percentiles_iterator(self): table = pd.DataFrame([[12], [9], [1], [22], [20], [23]], index=['s1', 's2', 's3', 's4', 's5', 's6'], columns=['b1']) grouping = pd.Series(['a', 'a', 'a', 'b', 'b', 'b'], index=['s1', 's2', 's3', 's4', 's5', 's6']) percentiles = [42.0, 50.0] groups = ['a', 'b'] tuples = [(p, g) for g in groups for p in percentiles] exp_mi = pd.MultiIndex.from_tuples(tuples, names=['Percentile', 'Group']) exp_data = np.array([[7.71999999], [9.0], # a [21.68], [22.0]]) # b exp = pd.DataFrame(exp_data.T, columns=exp_mi, index=['b1']) result = ancom(table, grouping, percentiles=iter(percentiles))[1] assert_data_frame_almost_equal(result, exp) def test_ancom_no_percentiles(self): table = pd.DataFrame([[12], [9], [1], [22], [20], [23]], index=['s1', 's2', 's3', 's4', 's5', 's6'], columns=['b1']) grouping = pd.Series(['a', 'a', 'a', 'b', 'b', 'b'], index=['s1', 's2', 's3', 's4', 's5', 's6']) result = ancom(table, grouping, percentiles=[])[1] assert_data_frame_almost_equal(result, pd.DataFrame()) def test_ancom_percentile_out_of_range(self): table = pd.DataFrame([[12], [9], [1], [22], [20], [23]], index=['s1', 's2', 's3', 's4', 's5', 's6'], columns=['b1']) grouping = pd.Series(['a', 'a', 'a', 'b', 'b', 'b'], index=['s1', 's2', 's3', 's4', 's5', 's6']) with self.assertRaises(ValueError): ancom(table, grouping, percentiles=[-1.0]) with self.assertRaises(ValueError): ancom(table, grouping, percentiles=[100.1]) with self.assertRaises(ValueError): ancom(table, grouping, percentiles=[10.0, 3.0, 101.0, 100]) def test_ancom_duplicate_percentiles(self): table = pd.DataFrame([[12], [9], [1], [22], [20], [23]], index=['s1', 's2', 's3', 's4', 's5', 's6'], columns=['b1']) grouping = pd.Series(['a', 'a', 'a', 'b', 'b', 'b'], index=['s1', 's2', 's3', 's4', 's5', 's6']) with self.assertRaises(ValueError): ancom(table, grouping, percentiles=[10.0, 10.0]) def test_ancom_basic_proportions(self): # Converts from counts to proportions test_table = pd.DataFrame(closure(self.table1)) original_table = copy.deepcopy(test_table) test_cats = pd.Series(self.cats1) original_cats = copy.deepcopy(test_cats) result = ancom(test_table, test_cats, multiple_comparisons_correction=None) # Test to make sure that the input table hasn't be altered assert_data_frame_almost_equal(original_table, test_table) # Test to make sure that the input table hasn't be altered pdt.assert_series_equal(original_cats, test_cats) exp = pd.DataFrame( {'W': np.array([5, 5, 2, 2, 2, 2, 2]), 'Reject null hypothesis': np.array([True, True, False, False, False, False, False], dtype=bool)}) assert_data_frame_almost_equal(result[0], exp) def test_ancom_multiple_groups(self): test_table = pd.DataFrame(self.table4) original_table = copy.deepcopy(test_table) test_cats = pd.Series(self.cats4) original_cats = copy.deepcopy(test_cats) result = ancom(test_table, test_cats) # Test to make sure that the input table hasn't be altered assert_data_frame_almost_equal(original_table, test_table) # Test to make sure that the input table hasn't be altered pdt.assert_series_equal(original_cats, test_cats) exp = pd.DataFrame( {'W': np.array([8, 7, 3, 3, 7, 3, 3, 3, 3]), 'Reject null hypothesis': np.array([True, True, False, False, True, False, False, False, False], dtype=bool)}) assert_data_frame_almost_equal(result[0], exp) def test_ancom_noncontiguous(self): result = ancom(self.table5, self.cats5, multiple_comparisons_correction=None) exp = pd.DataFrame( {'W': np.array([6, 2, 2, 2, 2, 6, 2]), 'Reject null hypothesis': np.array([True, False, False, False, False, True, False], dtype=bool)}) assert_data_frame_almost_equal(result[0], exp) def test_ancom_unbalanced(self): result = ancom(self.table6, self.cats6, multiple_comparisons_correction=None) exp = pd.DataFrame( {'W': np.array([5, 3, 3, 2, 2, 5, 2]), 'Reject null hypothesis': np.array([True, False, False, False, False, True, False], dtype=bool)}) assert_data_frame_almost_equal(result[0], exp) def test_ancom_letter_categories(self): result = ancom(self.table7, self.cats7, multiple_comparisons_correction=None) exp = pd.DataFrame( {'W': np.array([5, 3, 3, 2, 2, 5, 2]), 'Reject null hypothesis': np.array([True, False, False, False, False, True, False], dtype=bool)}) assert_data_frame_almost_equal(result[0], exp) def test_ancom_multiple_comparisons(self): result = ancom(self.table1, self.cats1, multiple_comparisons_correction='holm-bonferroni', significance_test=scipy.stats.mannwhitneyu) exp = pd.DataFrame( {'W': np.array([0]*7), 'Reject null hypothesis': np.array([False]*7, dtype=bool)}) assert_data_frame_almost_equal(result[0], exp) def test_ancom_alternative_test(self): result = ancom(self.table1, self.cats1, multiple_comparisons_correction=None, significance_test=scipy.stats.ttest_ind) exp = pd.DataFrame( {'W': np.array([5, 5, 2, 2, 2, 2, 2]), 'Reject null hypothesis': np.array([True, True, False, False, False, False, False], dtype=bool)}) assert_data_frame_almost_equal(result[0], exp) def test_ancom_normal_data(self): result = ancom(self.table2, self.cats2, multiple_comparisons_correction=None, significance_test=scipy.stats.ttest_ind) exp = pd.DataFrame( {'W': np.array([8, 8, 3, 3, 8, 3, 3, 3, 3]), 'Reject null hypothesis': np.array([True, True, False, False, True, False, False, False, False], dtype=bool)}) assert_data_frame_almost_equal(result[0], exp) def test_ancom_basic_counts_swapped(self): result = ancom(self.table8, self.cats8) exp = pd.DataFrame( {'W': np.array([5, 5, 2, 2, 2, 2, 2]), 'Reject null hypothesis': np.array([True, True, False, False, False, False, False], dtype=bool)}) assert_data_frame_almost_equal(result[0], exp) def test_ancom_no_signal(self): result = ancom(self.table3, self.cats3, multiple_comparisons_correction=None) exp = pd.DataFrame( {'W': np.array([0]*7), 'Reject null hypothesis': np.array([False]*7, dtype=bool)}) assert_data_frame_almost_equal(result[0], exp) def test_ancom_tau(self): exp1 = pd.DataFrame( {'W': np.array([8, 7, 3, 3, 7, 3, 3, 3, 3]), 'Reject null hypothesis': np.array([True, False, False, False, False, False, False, False, False], dtype=bool)}) exp2 = pd.DataFrame( {'W': np.array([17, 17, 5, 6, 16, 5, 7, 5, 4, 5, 8, 4, 5, 16, 5, 11, 4, 6]), 'Reject null hypothesis': np.array([True, True, False, False, True, False, False, False, False, False, False, False, False, True, False, False, False, False], dtype=bool)}) exp3 = pd.DataFrame( {'W': np.array([16, 16, 17, 10, 17, 16, 16, 15, 15, 15, 13, 10, 10, 10, 9, 9, 9, 9]), 'Reject null hypothesis': np.array([True, True, True, False, True, True, True, True, True, True, True, False, False, False, False, False, False, False], dtype=bool)}) result1 = ancom(self.table4, self.cats4, multiple_comparisons_correction=None, tau=0.25) result2 = ancom(self.table9, self.cats9, multiple_comparisons_correction=None, tau=0.02) result3 = ancom(self.table10, self.cats10, multiple_comparisons_correction=None, tau=0.02) assert_data_frame_almost_equal(result1[0], exp1) assert_data_frame_almost_equal(result2[0], exp2) assert_data_frame_almost_equal(result3[0], exp3) def test_ancom_theta(self): result = ancom(self.table1, self.cats1, theta=0.3) exp = pd.DataFrame( {'W': np.array([5, 5, 2, 2, 2, 2, 2]), 'Reject null hypothesis': np.array([True, True, False, False, False, False, False], dtype=bool)}) assert_data_frame_almost_equal(result[0], exp) def test_ancom_alpha(self): result = ancom(self.table1, self.cats1, multiple_comparisons_correction=None, alpha=0.5) exp = pd.DataFrame( {'W': np.array([6, 6, 4, 5, 5, 4, 2]), 'Reject null hypothesis': np.array([True, True, False, True, True, False, False], dtype=bool)}) assert_data_frame_almost_equal(result[0], exp) def test_ancom_fail_type(self): with self.assertRaises(TypeError): ancom(self.table1.values, self.cats1) with self.assertRaises(TypeError): ancom(self.table1, self.cats1.values) def test_ancom_fail_zeros(self): with self.assertRaises(ValueError): ancom(self.bad1, self.cats2, multiple_comparisons_correction=None) def test_ancom_fail_negative(self): with self.assertRaises(ValueError): ancom(self.bad2, self.cats2, multiple_comparisons_correction=None) def test_ancom_fail_not_implemented_multiple_comparisons_correction(self): with self.assertRaises(ValueError): ancom(self.table2, self.cats2, multiple_comparisons_correction='fdr') def test_ancom_fail_missing(self): with self.assertRaises(ValueError): ancom(self.bad3, self.cats1) with self.assertRaises(ValueError): ancom(self.table1, self.badcats1) def test_ancom_fail_groups(self): with self.assertRaises(ValueError): ancom(self.table1, self.badcats2) def test_ancom_fail_size_mismatch(self): with self.assertRaises(ValueError): ancom(self.table1, self.badcats3) def test_ancom_fail_group_unique(self): with self.assertRaises(ValueError): ancom(self.table1, self.badcats4) def test_ancom_fail_1_group(self): with self.assertRaises(ValueError): ancom(self.table1, self.badcats5) def test_ancom_fail_tau(self): with self.assertRaises(ValueError): ancom(self.table1, self.cats1, tau=-1) with self.assertRaises(ValueError): ancom(self.table1, self.cats1, tau=1.1) def test_ancom_fail_theta(self): with self.assertRaises(ValueError): ancom(self.table1, self.cats1, theta=-1) with self.assertRaises(ValueError): ancom(self.table1, self.cats1, theta=1.1) def test_ancom_fail_alpha(self): with self.assertRaises(ValueError): ancom(self.table1, self.cats1, alpha=-1) with self.assertRaises(ValueError): ancom(self.table1, self.cats1, alpha=1.1) def test_ancom_fail_multiple_groups(self): with self.assertRaises(TypeError): ancom(self.table4, self.cats4, significance_test=scipy.stats.ttest_ind) def test_holm_bonferroni(self): p = [0.005, 0.011, 0.02, 0.04, 0.13] corrected_p = p * np.arange(1, 6)[::-1] guessed_p = _holm_bonferroni(p) for a, b in zip(corrected_p, guessed_p): self.assertAlmostEqual(a, b) if __name__ == "__main__": main()
kdmurray91/scikit-bio
skbio/stats/tests/test_composition.py
Python
bsd-3-clause
47,376
[ "scikit-bio" ]
3f22d9eddecf40e9ce616f2f3697318c8003062c2e643901deec414299d8331d
import random import math import time import re import zlib from direct.interval.IntervalGlobal import * from direct.distributed.ClockDelta import * from toontown.toonbase.ToonPythonUtil import * from direct.gui.DirectGui import * from direct.task import Task from direct.showbase import PythonUtil from direct.directnotify import DirectNotifyGlobal from direct.gui import DirectGuiGlobals from panda3d.core import * from panda3d.direct import * from otp.avatar import LocalAvatar from otp.login import LeaveToPayDialog from otp.avatar import PositionExaminer from otp.otpbase import OTPGlobals from otp.avatar import DistributedPlayer from otp.nametag.NametagConstants import * from otp.margins.WhisperPopup import * from toontown.shtiker import ShtikerBook from toontown.shtiker import InventoryPageOLD from toontown.shtiker import InventoryPageNEW from toontown.shtiker import MapPage from toontown.shtiker import OptionsPage from toontown.shtiker import ShardPage from toontown.shtiker import QuestPage from toontown.shtiker import TrackPage from toontown.shtiker import KartPage from toontown.shtiker import GardenPage from toontown.shtiker import GolfPage from toontown.shtiker import SuitPage from toontown.shtiker import DisguisePage from toontown.shtiker import PhotoAlbumPage from toontown.shtiker import FishPage from toontown.shtiker import NPCFriendPage from toontown.shtiker import EventsPage from toontown.shtiker import TIPPage from toontown.quest import Quests from toontown.quest import QuestParser from toontown.toonbase.ToontownGlobals import * from toontown.toonbase import ToontownGlobals from toontown.toonbase import TTLocalizer #from toontown.catalog import CatalogNotifyDialog from toontown.chat import ToontownChatManager from toontown.chat import TTTalkAssistant from toontown.estate import GardenGlobals from toontown.battle.BattleSounds import * from toontown.battle import Fanfare from toontown.parties import PartyGlobals from toontown.toon import ElevatorNotifier from toontown.toon import ToonDNA import DistributedToon import Toon import LaffMeter from toontown.quest import QuestMap from toontown.toon.DistributedNPCToonBase import DistributedNPCToonBase WantNewsPage = config.GetBool('want-news-page', ToontownGlobals.DefaultWantNewsPageSetting) from toontown.toontowngui import NewsPageButtonManager if WantNewsPage: from toontown.shtiker import NewsPage AdjustmentForNewsButton = -0.275 ClaraBaseXPos = 0.12 if (__debug__): import pdb class LocalToon(DistributedToon.DistributedToon, LocalAvatar.LocalAvatar): neverDisable = 1 piePowerSpeed = config.GetDouble('pie-power-speed', 0.2) piePowerExponent = config.GetDouble('pie-power-exponent', 0.75) def __init__(self, cr): try: self.LocalToon_initialized except: self.LocalToon_initialized = 1 self.numFlowers = 0 self.maxFlowerBasket = 0 DistributedToon.DistributedToon.__init__(self, cr) chatMgr = ToontownChatManager.ToontownChatManager(cr, self) talkAssistant = TTTalkAssistant.TTTalkAssistant() LocalAvatar.LocalAvatar.__init__(self, cr, chatMgr, talkAssistant, passMessagesThrough=True) self.soundRun = base.loadSfx('phase_3.5/audio/sfx/AV_footstep_runloop.ogg') self.soundWalk = base.loadSfx('phase_3.5/audio/sfx/AV_footstep_walkloop.ogg') self.soundWhisper = base.loadSfx('phase_3.5/audio/sfx/GUI_whisper_3.ogg') self.soundPhoneRing = base.loadSfx('phase_3.5/audio/sfx/telephone_ring.ogg') self.soundSystemMessage = base.loadSfx('phase_3/audio/sfx/clock03.ogg') self.positionExaminer = PositionExaminer.PositionExaminer() friendsGui = loader.loadModel('phase_3.5/models/gui/friendslist_gui') friendsButtonNormal = friendsGui.find('**/FriendsBox_Closed') friendsButtonPressed = friendsGui.find('**/FriendsBox_Rollover') friendsButtonRollover = friendsGui.find('**/FriendsBox_Rollover') newScale = oldScale = 0.8 if WantNewsPage: newScale = oldScale * ToontownGlobals.NewsPageScaleAdjust self.bFriendsList = DirectButton(image=(friendsButtonNormal, friendsButtonPressed, friendsButtonRollover), relief=None, pos=(-0.141, 0, -0.125), parent=base.a2dTopRight, scale=newScale, text=('', TTLocalizer.FriendsListLabel, TTLocalizer.FriendsListLabel), text_scale=0.09, text_fg=Vec4(1, 1, 1, 1), text_shadow=Vec4(0, 0, 0, 1), text_pos=(0, -0.18), text_font=ToontownGlobals.getInterfaceFont(), command=self.sendFriendsListEvent) self.bFriendsList.hide() self.friendsListButtonActive = 0 self.friendsListButtonObscured = 0 self.moveFurnitureButtonObscured = 0 self.clarabelleButtonObscured = 0 friendsGui.removeNode() self.__furnitureGui = None self.__lerpFurnitureButton = None self.__clarabelleButton = None self.__clarabelleFlash = None self.furnitureManager = None self.furnitureDirector = None self.gotCatalogNotify = 0 self.__catalogNotifyDialog = None self.accept('phaseComplete-5.5', self.loadPhase55Stuff) Toon.loadDialog() self.isIt = 0 self.cantLeaveGame = 0 self.tunnelX = 0.0 self.estate = None self.__pieBubble = None self.allowPies = 0 self.__pieButton = None self.__piePowerMeter = None self.__piePowerMeterSequence = None self.__pieButtonType = None self.__pieButtonCount = None self.tossPieStart = None self.__presentingPie = 0 self.__pieSequence = 0 self.wantBattles = config.GetBool('want-battles', 1) self.seeGhosts = config.GetBool('see-ghosts', 0) wantNameTagAvIds = config.GetBool('want-nametag-avids', 0) if wantNameTagAvIds: messenger.send('nameTagShowAvId', []) base.idTags = 1 self.glitchX = 0 self.glitchY = 0 self.glitchZ = 0 self.glitchCount = 0 self.ticker = 0 self.glitchOkay = 1 self.tempGreySpacing = 0 self.wantStatePrint = config.GetBool('want-statePrint', 0) self.__gardeningGui = None self.__gardeningGuiFake = None self.__shovelButton = None self.shovelRelatedDoId = 0 self.shovelAbility = '' self.plantToWater = 0 self.shovelButtonActiveCount = 0 self.wateringCanButtonActiveCount = 0 self.showingWateringCan = 0 self.showingShovel = 0 self.touchingPlantList = [] self.inGardenAction = None self.guiConflict = 0 self.lastElevatorLeft = 0 self.elevatorNotifier = ElevatorNotifier.ElevatorNotifier() self.accept(OTPGlobals.AvatarFriendAddEvent, self.sbFriendAdd) self.accept(OTPGlobals.AvatarFriendUpdateEvent, self.sbFriendUpdate) self.accept(OTPGlobals.AvatarFriendRemoveEvent, self.sbFriendRemove) self._zoneId = None self.accept('system message aknowledge', self.systemWarning) self.systemMsgAckGuiDoneEvent = 'systemMsgAckGuiDoneEvent' self.accept(self.systemMsgAckGuiDoneEvent, self.hideSystemMsgAckGui) self.systemMsgAckGui = None self.createSystemMsgAckGui() if not hasattr(base.cr, 'lastLoggedIn'): base.cr.lastLoggedIn = self.cr.toontownTimeManager.convertStrToToontownTime('') self.setLastTimeReadNews(base.cr.lastLoggedIn) self.acceptingNewFriends = True self.acceptingNonFriendWhispers = True self.physControls.event.addAgainPattern('again%in') self.oldPos = None self.questMap = None self.prevToonIdx = 0 def setDNA(self, dna): base.localAvatarStyle = dna DistributedToon.DistributedToon.setDNA(self, dna) def setName(self, name): base.localAvatarName = name DistributedToon.DistributedToon.setName(self, name) def wantLegacyLifter(self): return True def startGlitchKiller(self): if localAvatar.getZoneId() not in GlitchKillerZones: return if __dev__: self.glitchMessage = 'START GLITCH KILLER' randChoice = random.randint(0, 3) if randChoice == 0: self.glitchMessage = 'START GLITCH KILLER' elif randChoice == 1: self.glitchMessage = 'GLITCH KILLER ENGAGED' elif randChoice == 2: self.glitchMessage = 'GLITCH KILLER GO!' elif randChoice == 3: self.glitchMessage = 'GLITCH IN YO FACE FOOL!' self.notify.debug(self.glitchMessage) taskMgr.remove(self.uniqueName('glitchKiller')) taskMgr.add(self.glitchKiller, self.uniqueName('glitchKiller')) self.glitchOkay = 1 def pauseGlitchKiller(self): self.tempGreySpacing = 1 def unpauseGlitchKiller(self): self.tempGreySpacing = 0 def stopGlitchKiller(self): if __dev__ and hasattr(self, 'glitchMessage'): if self.glitchMessage == 'START GLITCH KILLER': self.notify.debug('STOP GLITCH KILLER') elif self.glitchMessage == 'GLITCH KILLER ENGAGED': self.notify.debug('GLITCH KILLER DISENGAGED') elif self.glitchMessage == 'GLITCH KILLER GO!': self.notify.debug('GLITCH KILLER NO GO!') elif self.glitchMessage == 'GLITCH IN YO FACE FOOL!': self.notify.debug('GLITCH OFF YO FACE FOOL!') taskMgr.remove(self.uniqueName('glitchKiller')) self.glitchOkay = 1 def glitchKiller(self, taskFooler = 0): if base.greySpacing or self.tempGreySpacing: return Task.cont self.ticker += 1 if not self.physControls.lifter.hasContact() and not self.glitchOkay: self.glitchCount += 1 else: self.glitchX = self.getX() self.glitchY = self.getY() self.glitchZ = self.getZ() self.glitchCount = 0 if self.physControls.lifter.hasContact(): self.glitchOkay = 0 if hasattr(self, 'physControls'): if self.ticker >= 10: self.ticker = 0 if self.glitchCount >= 7: print 'GLITCH MAXED!!! resetting pos' self.setX(self.glitchX - 1 * (self.getX() - self.glitchX)) self.setY(self.glitchY - 1 * (self.getY() - self.glitchY)) self.glitchCount = 0 return Task.cont def announceGenerate(self): self.startLookAround() DistributedToon.DistributedToon.announceGenerate(self) acceptingNewFriends = settings.get('acceptingNewFriends', {}) acceptingNonFriendWhispers = settings.get('acceptingNonFriendWhispers', {}) acceptingTeleport = settings.get('acceptingTeleport', {}) if str(self.doId) not in acceptingNewFriends: acceptingNewFriends[str(self.doId)] = True settings['acceptingNewFriends'] = acceptingNewFriends if str(self.doId) not in acceptingNonFriendWhispers: acceptingNonFriendWhispers[str(self.doId)] = True settings['acceptingNonFriendWhispers'] = acceptingNonFriendWhispers if str(self.doId) not in acceptingTeleport: acceptingTeleport[str(self.doId)] = True settings['acceptingTeleport'] = acceptingTeleport self.acceptingNewFriends = acceptingNewFriends[str(self.doId)] self.acceptingNonFriendWhispers = acceptingNonFriendWhispers[str(self.doId)] self.acceptingTeleport = acceptingTeleport[str(self.doId)] def disable(self): self.laffMeter.destroy() del self.laffMeter self.questMap.destroy() self.questMap = None if hasattr(self, 'purchaseButton'): self.purchaseButton.destroy() del self.purchaseButton self.newsButtonMgr.request('Off') self.book.unload() del self.optionsPage del self.shardPage del self.mapPage del self.invPage del self.questPage del self.suitPage del self.sosPage del self.disguisePage del self.fishPage del self.gardenPage del self.trackPage del self.book if base.wantKarts: if hasattr(self, 'kartPage'): del self.kartPage if base.wantNametags: self.nametag.unmanage(base.marginManager) self.ignoreAll() DistributedToon.DistributedToon.disable(self) taskMgr.remove(self.uniqueName('KeepAliveTimeout')) return def disableBodyCollisions(self): pass def delete(self): try: self.LocalToon_deleted except: self.LocalToon_deleted = 1 Toon.unloadDialog() QuestParser.clear() DistributedToon.DistributedToon.delete(self) LocalAvatar.LocalAvatar.delete(self) self.bFriendsList.destroy() del self.bFriendsList if self.__pieButton: self.__pieButton.destroy() self.__pieButton = None if self.__piePowerMeter: self.__piePowerMeter.destroy() self.__piePowerMeter = None taskMgr.remove('unlockGardenButtons') if self.__lerpFurnitureButton: self.__lerpFurnitureButton.finish() if self.__furnitureGui: self.__furnitureGui.destroy() del self.__furnitureGui if self.__gardeningGui: self.__gardeningGui.destroy() del self.__gardeningGui if self.__gardeningGuiFake: self.__gardeningGuiFake.destroy() del self.__gardeningGuiFake if self.__clarabelleButton: self.__clarabelleButton.destroy() del self.__clarabelleButton if self.__clarabelleFlash: self.__clarabelleFlash.finish() del self.__clarabelleFlash if self.__catalogNotifyDialog: self.__catalogNotifyDialog.cleanup() del self.__catalogNotifyDialog taskMgr.remove('KeepAliveTimeout') return def initInterface(self): self.newsButtonMgr = NewsPageButtonManager.NewsPageButtonManager() self.newsButtonMgr.request('Hidden') self.book = ShtikerBook.ShtikerBook('bookDone') self.book.load() self.book.hideButton() self.optionsPage = OptionsPage.OptionsPage() self.optionsPage.load() self.book.addPage(self.optionsPage, pageName=TTLocalizer.OptionsPageTitle) self.shardPage = ShardPage.ShardPage() self.shardPage.load() self.book.addPage(self.shardPage, pageName=TTLocalizer.ShardPageTitle) self.mapPage = MapPage.MapPage() self.mapPage.load() self.book.addPage(self.mapPage, pageName=TTLocalizer.MapPageTitle) if settings['newGui'] == True: self.invPage = InventoryPageNEW.InventoryPageNEW() self.invPage.load() else: self.invPage = InventoryPageOLD.InventoryPageOLD() self.invPage.load() self.book.addPage(self.invPage, pageName=TTLocalizer.InventoryPageTitle) self.questPage = QuestPage.QuestPage() self.questPage.load() self.book.addPage(self.questPage, pageName=TTLocalizer.QuestPageToonTasks) self.trackPage = TrackPage.TrackPage() self.trackPage.load() self.book.addPage(self.trackPage, pageName=TTLocalizer.TrackPageShortTitle) self.suitPage = SuitPage.SuitPage() self.suitPage.load() self.book.addPage(self.suitPage, pageName=TTLocalizer.SuitPageTitle) self.fishPage = FishPage.FishPage() self.fishPage.setAvatar(self) self.fishPage.load() self.book.addPage(self.fishPage, pageName=TTLocalizer.FishPageTitle) if base.wantKarts: self.addKartPage() if self.disguisePageFlag: self.loadDisguisePages() if self.sosPageFlag: self.loadSosPages() if self.gardenStarted: self.loadGardenPages() self.addGolfPage() self.photoPage = PhotoAlbumPage.PhotoAlbumPage() self.photoPage.load() self.book.addPage(self.photoPage, pageName=TTLocalizer.PhotoPageTitle) self.addEventsPage() if WantNewsPage: self.addNewsPage() self.book.setPage(self.mapPage, enterPage=False) self.laffMeter = LaffMeter.LaffMeter(self.style, self.hp, self.maxHp) self.laffMeter.setAvatar(self) self.laffMeter.setScale(0.075) self.laffMeter.reparentTo(base.a2dBottomLeft) if self.style.getAnimal() == 'monkey': self.laffMeter.setPos(0.153, 0.0, 0.13) else: self.laffMeter.setPos(0.133, 0.0, 0.13) self.laffMeter.stop() self.questMap = QuestMap.QuestMap(self) self.questMap.stop() if not base.cr.isPaid(): guiButton = loader.loadModel('phase_3/models/gui/quit_button') self.purchaseButton = DirectButton(parent=aspect2d, relief=None, image=(guiButton.find('**/QuitBtn_UP'), guiButton.find('**/QuitBtn_DN'), guiButton.find('**/QuitBtn_RLVR')), image_scale=0.9, text=TTLocalizer.OptionsPagePurchase, text_scale=0.05, text_pos=(0, -0.01), textMayChange=0, pos=(0.885, 0, -0.94), sortOrder=100, command=self.__handlePurchase) base.setCellsAvailable([base.bottomCells[4]], 0) self.accept('time-insert', self.__beginTossPie) self.accept('time-insert-up', self.__endTossPie) self.accept('time-delete', self.__beginTossPie) self.accept('time-delete-up', self.__endTossPie) self.accept('pieHit', self.__pieHit) self.accept('interrupt-pie', self.interruptPie) self.accept('InputState-jump', self.__toonMoved) self.accept('InputState-forward', self.__toonMoved) self.accept('InputState-reverse', self.__toonMoved) self.accept('InputState-turnLeft', self.__toonMoved) self.accept('InputState-turnRight', self.__toonMoved) self.accept('InputState-slide', self.__toonMoved) QuestParser.init() return def __handlePurchase(self): self.purchaseButton.hide() if (base.cr.isWebPlayToken() or __dev__): if base.cr.isPaid(): if base.cr.productName in ['DisneyOnline-UK', 'DisneyOnline-AP', 'JP', 'DE', 'BR', 'FR']: paidNoParentPassword = launcher and launcher.getParentPasswordSet() else: paidNoParentPassword = launcher and not launcher.getParentPasswordSet() else: paidNoParentPassword = 0 self.leaveToPayDialog = LeaveToPayDialog.LeaveToPayDialog(paidNoParentPassword, self.purchaseButton.show) self.leaveToPayDialog.show() else: self.notify.error('You should not get here without a PlayToken') if base.wantKarts: def addKartPage(self): if self.hasKart(): if hasattr(self, 'kartPage') and self.kartPage != None: return if not launcher.getPhaseComplete(6): self.acceptOnce('phaseComplete-6', self.addKartPage) return self.kartPage = KartPage.KartPage() self.kartPage.setAvatar(self) self.kartPage.load() self.book.addPage(self.kartPage, pageName=TTLocalizer.KartPageTitle) return def setWantBattles(self, wantBattles): self.wantBattles = wantBattles def loadDisguisePages(self): if self.disguisePage != None: return if not launcher.getPhaseComplete(9): self.acceptOnce('phaseComplete-9', self.loadDisguisePages) return self.disguisePage = DisguisePage.DisguisePage() self.disguisePage.load() self.book.addPage(self.disguisePage, pageName=TTLocalizer.DisguisePageTitle) self.loadSosPages() return def loadSosPages(self): if self.sosPage != None: return self.sosPage = NPCFriendPage.NPCFriendPage() self.sosPage.load() self.book.addPage(self.sosPage, pageName=TTLocalizer.NPCFriendPageTitle) return def loadGardenPages(self): if self.gardenPage != None: return if not launcher.getPhaseComplete(5.5): self.acceptOnce('phaseComplete-5.5', self.loadPhase55Stuff) return self.gardenPage = GardenPage.GardenPage() self.gardenPage.load() self.book.addPage(self.gardenPage, pageName=TTLocalizer.GardenPageTitle) return def loadPhase55Stuff(self): if self.gardenPage == None: self.gardenPage = GardenPage.GardenPage() self.gardenPage.load() self.book.addPage(self.gardenPage, pageName=TTLocalizer.GardenPageTitle) elif not launcher.getPhaseComplete(5.5): self.acceptOnce('phaseComplete-5.5', self.loadPhase55Stuff) self.refreshOnscreenButtons() return def setAsGM(self, state): self.notify.debug('Setting GM State: %s in LocalToon' % state) DistributedToon.DistributedToon.setAsGM(self, state) if self.gmState: if config.GetString('gm-nametag-string', '') != '': self.gmNameTagString = config.GetString('gm-nametag-string') if config.GetString('gm-nametag-color', '') != '': self.gmNameTagColor = config.GetString('gm-nametag-color') if config.GetInt('gm-nametag-enabled', 0): self.gmNameTagEnabled = 1 self.d_updateGMNameTag() def displayTalkWhisper(self, fromId, avatarName, rawString, mods): sender = base.cr.identifyAvatar(fromId) if sender: chatString, scrubbed = sender.scrubTalk(rawString, mods) else: chatString, scrubbed = self.scrubTalk(rawString, mods) sender = self sfx = self.soundWhisper chatString = avatarName + ': ' + chatString whisper = WhisperPopup(chatString, OTPGlobals.getInterfaceFont(), WhisperPopup.WTNormal) whisper.setClickable(avatarName, fromId) whisper.manage(base.marginManager) base.playSfx(sfx) def displayTalkAccount(self, fromId, senderName, rawString, mods): sender = None playerInfo = None sfx = self.soundWhisper playerInfo = base.cr.playerFriendsManager.playerId2Info.get(fromId, None) if playerInfo == None: return senderAvId = base.cr.playerFriendsManager.findAvIdFromPlayerId(fromId) if not senderName and base.cr.playerFriendsManager.playerId2Info.get(fromId): senderName = base.cr.playerFriendsManager.playerId2Info.get(fromId).playerName senderAvatar = base.cr.identifyAvatar(senderAvId) if sender: chatString, scrubbed = senderAvatar.scrubTalk(rawString, mods) else: chatString, scrubbed = self.scrubTalk(rawString, mods) chatString = senderName + ': ' + chatString whisper = WhisperPopup(chatString, OTPGlobals.getInterfaceFont(), WhisperPopup.WTNormal) if playerInfo != None: whisper.setClickable(senderName, fromId, 1) whisper.manage(base.marginManager) base.playSfx(sfx) return def isLocal(self): return 1 def canChat(self): if not self.cr.allowAnyTypedChat(): return 0 if self.commonChatFlags & (ToontownGlobals.CommonChat | ToontownGlobals.SuperChat): return 1 if base.cr.whiteListChatEnabled: return 1 for friendId, flags in self.friendsList: if flags & ToontownGlobals.FriendChat: return 1 return 0 def startChat(self): if self.tutorialAck: self.notify.info('calling LocalAvatar.startchat') LocalAvatar.LocalAvatar.startChat(self) self.accept('chatUpdateSCToontask', self.b_setSCToontask) self.accept('chatUpdateSCResistance', self.d_reqSCResistance) self.accept('chatUpdateSCSinging', self.b_setSCSinging) self.accept('whisperUpdateSCToontask', self.whisperSCToontaskTo) else: self.notify.info('NOT calling LocalAvatar.startchat, in tutorial') def stopChat(self): LocalAvatar.LocalAvatar.stopChat(self) self.ignore('chatUpdateSCToontask') self.ignore('chatUpdateSCResistance') self.ignore('chatUpdateSCSinging') self.ignore('whisperUpdateSCToontask') def tunnelIn(self, tunnelOrigin): self.b_setTunnelIn(self.tunnelX * 0.8, tunnelOrigin) def tunnelOut(self, tunnelOrigin): self.tunnelX = self.getX(tunnelOrigin) tunnelY = self.getY(tunnelOrigin) self.b_setTunnelOut(self.tunnelX * 0.95, tunnelY, tunnelOrigin) def handleTunnelIn(self, startTime, endX, x, y, z, h): self.notify.debug('LocalToon.handleTunnelIn') tunnelOrigin = render.attachNewNode('tunnelOrigin') tunnelOrigin.setPosHpr(x, y, z, h, 0, 0) self.b_setAnimState('run', self.animMultiplier) self.stopLookAround() self.reparentTo(render) self.runSound() camera.reparentTo(render) camera.setPosHpr(tunnelOrigin, 0, 20, 12, 180, -20, 0) base.transitions.irisIn(0.4) avHeight = max(base.localAvatar.getHeight(), 3.0) scaleFactor = avHeight * 0.3333333333 toonTrack = self.getTunnelInToonTrack(endX, tunnelOrigin) toonTrack.append(Func(camera.wrtReparentTo, base.localAvatar)) toonTrack.append(camera.posHprInterval(.8, (0, -9 * scaleFactor, avHeight), (0, 0, 0), other=base.localAvatar, blendType='easeInOut')) def cleanup(self = self, tunnelOrigin = tunnelOrigin): self.stopSound() tunnelOrigin.removeNode() messenger.send('tunnelInMovieDone') self.tunnelTrack = Sequence(toonTrack, Func(cleanup)) self.tunnelTrack.start(globalClock.getFrameTime() - startTime) def handleTunnelOut(self, startTime, startX, startY, x, y, z, h): self.notify.debug('LocalToon.handleTunnelOut') tunnelOrigin = render.attachNewNode('tunnelOrigin') tunnelOrigin.setPosHpr(x, y, z, h, 0, 0) self.b_setAnimState('run', self.animMultiplier) self.runSound() self.stopLookAround() tracks = Parallel() camera.wrtReparentTo(render) startPos = camera.getPos(tunnelOrigin) startHpr = camera.getHpr(tunnelOrigin) camLerpDur = 1.0 reducedCamH = fitDestAngle2Src(startHpr[0], 180) tracks.append(LerpPosHprInterval(camera, camLerpDur, pos=Point3(0, 20, 12), hpr=Point3(reducedCamH, -20, 0), startPos=startPos, startHpr=startHpr, other=tunnelOrigin, blendType='easeInOut', name='tunnelOutLerpCamPos')) toonTrack = self.getTunnelOutToonTrack(startX, startY, tunnelOrigin) tracks.append(toonTrack) irisDur = 0.4 tracks.append(Sequence(Wait(toonTrack.getDuration() - (irisDur + 0.1)), Func(base.transitions.irisOut, irisDur))) def cleanup(self = self, tunnelOrigin = tunnelOrigin): self.stopSound() self.detachNode() tunnelOrigin.removeNode() messenger.send('tunnelOutMovieDone') self.tunnelTrack = Sequence(tracks, Func(cleanup)) self.tunnelTrack.start(globalClock.getFrameTime() - startTime) def getPieBubble(self): if self.__pieBubble == None: bubble = CollisionSphere(0, 0, 0, 1) node = CollisionNode('pieBubble') node.addSolid(bubble) node.setFromCollideMask(ToontownGlobals.PieBitmask | ToontownGlobals.CameraBitmask | ToontownGlobals.FloorBitmask) node.setIntoCollideMask(BitMask32.allOff()) self.__pieBubble = NodePath(node) self.pieHandler = CollisionHandlerEvent() self.pieHandler.addInPattern('pieHit') self.pieHandler.addInPattern('pieHit-%in') return self.__pieBubble def __beginTossPieMouse(self, mouseParam): self.__beginTossPie(globalClock.getFrameTime()) def __endTossPieMouse(self, mouseParam): self.__endTossPie(globalClock.getFrameTime()) def __beginTossPie(self, time): if self.tossPieStart != None: return if not self.allowPies: return if self.hp < 1: return if self.numPies == 0: messenger.send('outOfPies') return if self.__pieInHand(): return if getattr(self.controlManager.currentControls, 'isAirborne', 0): return messenger.send('wakeup') self.localPresentPie(time) taskName = self.uniqueName('updatePiePower') taskMgr.add(self.__updatePiePower, taskName) return def __endTossPie(self, time): if self.tossPieStart == None: return taskName = self.uniqueName('updatePiePower') taskMgr.remove(taskName) messenger.send('wakeup') power = self.__getPiePower(time) self.tossPieStart = None self.localTossPie(power) return def localPresentPie(self, time): import TTEmote from otp.avatar import Emote self.__stopPresentPie() if self.tossTrack: tossTrack = self.tossTrack self.tossTrack = None tossTrack.finish() self.interruptPie() self.tossPieStart = time self.__pieSequence = self.__pieSequence + 1 & 255 sequence = self.__pieSequence self.__presentingPie = 1 pos = self.getPos() hpr = self.getHpr() timestamp32 = globalClockDelta.getFrameNetworkTime(bits=32) self.sendUpdate('presentPie', [pos[0], pos[1], pos[2], hpr[0] % 360.0, timestamp32]) Emote.globalEmote.disableBody(self) messenger.send('begin-pie') ival = self.getPresentPieInterval(pos[0], pos[1], pos[2], hpr[0]) ival = Sequence(ival, name=self.uniqueName('localPresentPie')) self.tossTrack = ival ival.start() self.makePiePowerMeter() self.__piePowerMeter.show() self.__piePowerMeterSequence = sequence self.__piePowerMeter['value'] = 0 return def __stopPresentPie(self): if self.__presentingPie: import TTEmote from otp.avatar import Emote Emote.globalEmote.releaseBody(self) messenger.send('end-pie') self.__presentingPie = 0 taskName = self.uniqueName('updatePiePower') taskMgr.remove(taskName) def __getPiePower(self, time): elapsed = max(time - self.tossPieStart, 0.0) t = elapsed / self.piePowerSpeed t = math.pow(t, self.piePowerExponent) power = int(t * 100) % 200 if power > 100: power = 200 - power return power def __updatePiePower(self, task): if not self.__piePowerMeter: return Task.done self.__piePowerMeter['value'] = self.__getPiePower(globalClock.getFrameTime()) return Task.cont def interruptPie(self): self.cleanupPieInHand() self.__stopPresentPie() if self.__piePowerMeter: self.__piePowerMeter.hide() pie = self.pieTracks.get(self.__pieSequence) if pie and pie.getT() < 14.0 / 24.0: del self.pieTracks[self.__pieSequence] pie.pause() def __pieInHand(self): pie = self.pieTracks.get(self.__pieSequence) return pie and pie.getT() < 15.0 / 24.0 def __toonMoved(self, isSet): if isSet: self.interruptPie() def localTossPie(self, power): if not self.__presentingPie: return pos = self.getPos() hpr = self.getHpr() timestamp32 = globalClockDelta.getFrameNetworkTime(bits=32) sequence = self.__pieSequence if self.tossTrack: tossTrack = self.tossTrack self.tossTrack = None tossTrack.finish() if self.pieTracks.has_key(sequence): pieTrack = self.pieTracks[sequence] del self.pieTracks[sequence] pieTrack.finish() if self.splatTracks.has_key(sequence): splatTrack = self.splatTracks[sequence] del self.splatTracks[sequence] splatTrack.finish() self.makePiePowerMeter() self.__piePowerMeter['value'] = power self.__piePowerMeter.show() self.__piePowerMeterSequence = sequence pieBubble = self.getPieBubble().instanceTo(NodePath()) def pieFlies(self = self, pos = pos, hpr = hpr, sequence = sequence, power = power, timestamp32 = timestamp32, pieBubble = pieBubble): self.sendUpdate('tossPie', [pos[0], pos[1], pos[2], hpr[0] % 360.0, sequence, power, self.pieThrowType, timestamp32]) if self.numPies != ToontownGlobals.FullPies: self.setNumPies(self.numPies - 1) base.cTrav.addCollider(pieBubble, self.pieHandler) toss, pie, flyPie = self.getTossPieInterval(pos[0], pos[1], pos[2], hpr[0], power, self.pieThrowType, beginFlyIval=Func(pieFlies)) pieBubble.reparentTo(flyPie) flyPie.setTag('pieSequence', str(sequence)) toss = Sequence(toss) self.tossTrack = toss toss.start() pie = Sequence(pie, Func(base.cTrav.removeCollider, pieBubble), Func(self.pieFinishedFlying, sequence)) self.pieTracks[sequence] = pie pie.start() return def pieFinishedFlying(self, sequence): DistributedToon.DistributedToon.pieFinishedFlying(self, sequence) if self.__piePowerMeterSequence == sequence: self.__piePowerMeter.hide() def __finishPieTrack(self, sequence): if self.pieTracks.has_key(sequence): pieTrack = self.pieTracks[sequence] del self.pieTracks[sequence] pieTrack.finish() def __pieHit(self, entry): if not entry.hasSurfacePoint() or not entry.hasInto(): return if not entry.getInto().isTangible(): return sequence = int(entry.getFromNodePath().getNetTag('pieSequence')) self.__finishPieTrack(sequence) if self.splatTracks.has_key(sequence): splatTrack = self.splatTracks[sequence] del self.splatTracks[sequence] splatTrack.finish() pieCode = 0 pieCodeStr = entry.getIntoNodePath().getNetTag('pieCode') if pieCodeStr: pieCode = int(pieCodeStr) pos = entry.getSurfacePoint(render) timestamp32 = globalClockDelta.getFrameNetworkTime(bits=32) self.sendUpdate('pieSplat', [pos[0], pos[1], pos[2], sequence, pieCode, timestamp32]) splat = self.getPieSplatInterval(pos[0], pos[1], pos[2], pieCode) splat = Sequence(splat, Func(self.pieFinishedSplatting, sequence)) self.splatTracks[sequence] = splat splat.start() messenger.send('pieSplat', [self, pieCode]) messenger.send('localPieSplat', [pieCode, entry]) def beginAllowPies(self): self.allowPies = 1 self.updatePieButton() def endAllowPies(self): self.allowPies = 0 self.updatePieButton() def makePiePowerMeter(self): from direct.gui.DirectGui import DirectWaitBar, DGG if self.__piePowerMeter == None: self.__piePowerMeter = DirectWaitBar(frameSize=(-0.2, 0.2, -0.03, 0.03), relief=DGG.SUNKEN, borderWidth=(0.005, 0.005), barColor=(0.4, 0.6, 1.0, 1), pos=(0, 0.1, 0.8)) self.__piePowerMeter.hide() return def updatePieButton(self): from toontown.toonbase import ToontownBattleGlobals from direct.gui.DirectGui import DirectButton, DGG wantButton = 0 if self.allowPies and self.numPies > 0: wantButton = 1 if not launcher.getPhaseComplete(5): wantButton = 0 haveButton = self.__pieButton != None if not haveButton and not wantButton: return if haveButton and not wantButton: self.__pieButton.destroy() self.__pieButton = None self.__pieButtonType = None self.__pieButtonCount = None return if self.__pieButtonType != self.pieType: if self.__pieButton: self.__pieButton.destroy() self.__pieButton = None if self.__pieButton == None: inv = self.inventory if self.pieType >= len(inv.invModels[ToontownBattleGlobals.THROW_TRACK]): gui = loader.loadModel('phase_3.5/models/gui/stickerbook_gui') pieGui = gui.find('**/summons') pieScale = 0.1 else: gui = None pieGui = (inv.invModels[ToontownBattleGlobals.THROW_TRACK][self.pieType],) pieScale = 0.85 self.__pieButton = DirectButton(image=(inv.upButton, inv.downButton, inv.rolloverButton), geom=pieGui, text='50', text_scale=0.04, text_align=TextNode.ARight, geom_scale=pieScale, geom_pos=(-0.01, 0, 0), text_fg=Vec4(1, 1, 1, 1), text_pos=(0.07, -0.04), relief=None, image_color=(0, 0.6, 1, 1), pos=(0, 0.1, 0.9)) self.__pieButton.bind(DGG.B1PRESS, self.__beginTossPieMouse) self.__pieButton.bind(DGG.B1RELEASE, self.__endTossPieMouse) self.__pieButtonType = self.pieType self.__pieButtonCount = None if gui: del gui if self.__pieButtonCount != self.numPies: if self.numPies == ToontownGlobals.FullPies: self.__pieButton['text'] = '' else: self.__pieButton['text'] = str(self.numPies) self.__pieButtonCount = self.numPies return def displayWhisper(self, fromId, chatString, whisperType): sender = None sfx = self.soundWhisper if fromId == TTLocalizer.Clarabelle: chatString = TTLocalizer.Clarabelle + ': ' + chatString sfx = self.soundPhoneRing elif fromId != 0: sender = base.cr.identifyAvatar(fromId) if whisperType == WhisperPopup.WTNormal or whisperType == WhisperPopup.WTQuickTalker: if sender == None: return chatString = sender.getName() + ': ' + chatString elif whisperType == WhisperPopup.WTSystem: sfx = self.soundSystemMessage whisper = WhisperPopup(chatString, OTPGlobals.getInterfaceFont(), whisperType) if sender != None: whisper.setClickable(sender.getName(), fromId) whisper.manage(base.marginManager) base.playSfx(sfx) return def displaySystemClickableWhisper(self, fromId, chatString, whisperType): sender = None sfx = self.soundWhisper if fromId == TTLocalizer.Clarabelle: chatString = TTLocalizer.Clarabelle + ': ' + chatString sfx = self.soundPhoneRing elif fromId != 0: sender = base.cr.identifyAvatar(fromId) if whisperType == WhisperPopup.WTNormal or whisperType == WhisperPopup.WTQuickTalker: if sender == None: return chatString = sender.getName() + ': ' + chatString elif whisperType == WhisperPopup.WTSystem: sfx = self.soundSystemMessage whisper = WhisperPopup(chatString, OTPGlobals.getInterfaceFont(), whisperType) whisper.setClickable('', fromId) whisper.manage(base.marginManager) base.playSfx(sfx) return def clickedWhisper(self, doId, isPlayer = None): if doId > 0: LocalAvatar.LocalAvatar.clickedWhisper(self, doId, isPlayer) else: foundCanStart = False for partyInfo in self.hostedParties: if partyInfo.status == PartyGlobals.PartyStatus.CanStart: foundCanStart = True break if base.cr and base.cr.playGame and base.cr.playGame.getPlace() and base.cr.playGame.getPlace().fsm: fsm = base.cr.playGame.getPlace().fsm curState = fsm.getCurrentState().getName() if curState == 'walk': if hasattr(self, 'eventsPage'): desiredMode = -1 if doId == -1: desiredMode = EventsPage.EventsPage_Invited elif foundCanStart: desiredMode = EventsPage.EventsPage_Host if desiredMode >= 0: self.book.setPage(self.eventsPage) self.eventsPage.setMode(desiredMode) fsm.request('stickerBook') def loadFurnitureGui(self): if self.__furnitureGui: return guiModels = loader.loadModel('phase_5.5/models/gui/house_design_gui') self.__furnitureGui = DirectFrame(relief=None, parent=base.a2dTopLeft, pos=(0.115, 0.0, -0.66), scale=0.04, image=guiModels.find('**/attic')) DirectLabel(parent=self.__furnitureGui, relief=None, image=guiModels.find('**/rooftile')) bMoveStartUp = guiModels.find('**/bu_attic/bu_attic_up') bMoveStartDown = guiModels.find('**/bu_attic/bu_attic_down') bMoveStartRollover = guiModels.find('**/bu_attic/bu_attic_rollover') DirectButton(parent=self.__furnitureGui, relief=None, image=[bMoveStartUp, bMoveStartDown, bMoveStartRollover, bMoveStartUp], text=['', TTLocalizer.HDMoveFurnitureButton, TTLocalizer.HDMoveFurnitureButton], text_fg=(1, 1, 1, 1), text_shadow=(0, 0, 0, 1), text_font=ToontownGlobals.getInterfaceFont(), pos=(-0.3, 0, 9.4), command=self.__startMoveFurniture) self.__furnitureGui.hide() guiModels.removeNode() return def showFurnitureGui(self): self.loadFurnitureGui() self.__furnitureGui.show() def hideFurnitureGui(self): if self.__furnitureGui: self.__furnitureGui.hide() def clarabelleNewsPageCollision(self, show = True): if self.__clarabelleButton == None: return claraXPos = ClaraBaseXPos #notifyXPos = CatalogNotifyDialog.CatalogNotifyBaseXPos if show: claraXPos += AdjustmentForNewsButton #notifyXPos += AdjustmentForNewsButton newPos = (claraXPos, 1.0, -0.63) self.__clarabelleButton.setPos(newPos) #if self.__catalogNotifyDialog == None or self.__catalogNotifyDialog.frame == None: #return #notifyPos = self.__catalogNotifyDialog.frame.getPos() #notifyPos[0] = notifyXPos #self.__catalogNotifyDialog.frame.setPos(notifyPos) return def loadClarabelleGui(self): if self.__clarabelleButton: return guiItems = loader.loadModel('phase_5.5/models/gui/catalog_gui') circle = guiItems.find('**/cover/blue_circle') icon = guiItems.find('**/cover/clarabelle') icon.reparentTo(circle) rgba = VBase4(0.71589, 0.784547, 0.974, 1.0) white = VBase4(1.0, 1.0, 1.0, 1.0) icon.setColor(white) claraXPos = ClaraBaseXPos newScale = oldScale = 0.5 newPos = (claraXPos, 1.0, -0.63) if WantNewsPage: claraXPos += AdjustmentForNewsButton oldPos = ((claraXPos, 1.0, -0.63)) newScale = oldScale * ToontownGlobals.NewsPageScaleAdjust newPos = (claraXPos - 0.1, 1.0, -0.63) self.__clarabelleButton = DirectButton(relief=None, image=circle, text='', text_fg=(1, 1, 1, 1), text_shadow=(0, 0, 0, 1), text_scale=0.1, text_pos=(-1.06, 1.06), text_font=ToontownGlobals.getInterfaceFont(), pos=newPos, scale=newScale, command=self.__handleClarabelleButton) self.__clarabelleButton.reparentTo(base.a2dTopRight, DGG.BACKGROUND_SORT_INDEX - 1) button = self.__clarabelleButton.stateNodePath[0] self.__clarabelleFlash = Sequence(LerpColorInterval(button, 2, white, blendType='easeInOut'), LerpColorInterval(button, 2, rgba, blendType='easeInOut')) self.__clarabelleFlash.loop() self.__clarabelleFlash.pause() return def showClarabelleGui(self, mailboxItems): self.loadClarabelleGui() if mailboxItems: self.__clarabelleButton['text'] = ['', TTLocalizer.CatalogNewDeliveryButton, TTLocalizer.CatalogNewDeliveryButton] else: self.__clarabelleButton['text'] = ['', TTLocalizer.CatalogNewCatalogButton, TTLocalizer.CatalogNewCatalogButton] if not self.mailboxNotify and not self.awardNotify and self.catalogNotify == ToontownGlobals.OldItems and (self.simpleMailNotify != ToontownGlobals.NoItems or self.inviteMailNotify != ToontownGlobals.NoItems): self.__clarabelleButton['text'] = ['', TTLocalizer.MailNewMailButton, TTLocalizer.MailNewMailButton] if self.newsButtonMgr.isNewIssueButtonShown() and WantNewsPage: self.clarabelleNewsPageCollision(True) self.__clarabelleButton.show() self.__clarabelleFlash.resume() def hideClarabelleGui(self): if self.__clarabelleButton: self.__clarabelleButton.hide() self.__clarabelleFlash.pause() def __handleClarabelleButton(self): self.stopMoveFurniture() place = base.cr.playGame.getPlace() if place == None: self.notify.warning('Tried to go home, but place is None.') return if self.__catalogNotifyDialog: self.__catalogNotifyDialog.cleanup() self.__catalogNotifyDialog = None if config.GetBool('want-qa-regression', 0): self.notify.info('QA-REGRESSION: VISITESTATE: Visit estate') place.goHomeNow(self.lastHood) return def __startMoveFurniture(self): self.oldPos = self.getPos() if config.GetBool('want-qa-regression', 0): self.notify.info('QA-REGRESSION: ESTATE: Furniture Placement') if self.cr.furnitureManager != None: self.cr.furnitureManager.d_suggestDirector(self.doId) elif self.furnitureManager != None: self.furnitureManager.d_suggestDirector(self.doId) return def stopMoveFurniture(self): base.localAvatar.controlManager.collisionsOn() if self.oldPos: self.setPos(self.oldPos) if self.furnitureManager != None: self.furnitureManager.d_suggestDirector(0) return def setFurnitureDirector(self, avId, furnitureManager): if avId == 0: if self.furnitureManager == furnitureManager: messenger.send('exitFurnitureMode', [furnitureManager]) self.furnitureManager = None self.furnitureDirector = None elif avId != self.doId: if self.furnitureManager == None or self.furnitureDirector != avId: self.furnitureManager = furnitureManager self.furnitureDirector = avId messenger.send('enterFurnitureMode', [furnitureManager, 0]) else: if self.furnitureManager != None: messenger.send('exitFurnitureMode', [self.furnitureManager]) self.furnitureManager = None self.furnitureManager = furnitureManager self.furnitureDirector = avId messenger.send('enterFurnitureMode', [furnitureManager, 1]) self.refreshOnscreenButtons() return def getAvPosStr(self): pos = self.getPos() hpr = self.getHpr() serverVersion = base.cr.getServerVersion() districtName = base.cr.getShardName(base.localAvatar.defaultShard) if hasattr(base.cr.playGame.hood, 'loader') and hasattr(base.cr.playGame.hood.loader, 'place') and base.cr.playGame.getPlace() != None: zoneId = base.cr.playGame.getPlace().getZoneId() else: zoneId = '?' strPosCoordText = 'X: %.3f' % pos[0] + ', Y: %.3f' % pos[1] + '\nZ: %.3f' % pos[2] + ', H: %.3f' % hpr[0] + '\nZone: %s' % str(zoneId) + ', Ver: %s, ' % serverVersion + 'District: %s' % districtName return strPosCoordText self.refreshOnscreenButtons() return def thinkPos(self): pos = self.getPos() hpr = self.getHpr() serverVersion = base.cr.getServerVersion() districtName = base.cr.getShardName(base.localAvatar.defaultShard) if hasattr(base.cr.playGame.hood, 'loader') and hasattr(base.cr.playGame.hood.loader, 'place') and base.cr.playGame.getPlace() != None: zoneId = base.cr.playGame.getPlace().getZoneId() else: zoneId = '?' strPos = '(%.3f' % pos[0] + '\n %.3f' % pos[1] + '\n %.3f)' % pos[2] + '\nH: %.3f' % hpr[0] + '\nZone: %s' % str(zoneId) + ',\nVer: %s, ' % serverVersion + '\nDistrict: %s' % districtName print 'Current position=', strPos.replace('\n', ', ') self.setChatAbsolute(strPos, CFThought | CFTimeout) return def __placeMarker(self): pos = self.getPos() hpr = self.getHpr() chest = loader.loadModel('phase_4/models/props/coffin') chest.reparentTo(render) chest.setColor(1, 0, 0, 1) chest.setPosHpr(pos, hpr) chest.setScale(0.5) def setFriendsListButtonActive(self, active): self.friendsListButtonActive = active self.refreshOnscreenButtons() def obscureFriendsListButton(self, increment): self.friendsListButtonObscured += increment self.refreshOnscreenButtons() def obscureMoveFurnitureButton(self, increment): self.moveFurnitureButtonObscured += increment self.refreshOnscreenButtons() def obscureClarabelleButton(self, increment): self.clarabelleButtonObscured += increment self.refreshOnscreenButtons() def refreshOnscreenButtons(self): self.bFriendsList.hide() self.hideFurnitureGui() self.hideClarabelleGui() clarabelleHidden = 1 self.ignore(ToontownGlobals.FriendsListHotkey) if self.friendsListButtonActive and self.friendsListButtonObscured <= 0: self.bFriendsList.show() self.accept(ToontownGlobals.FriendsListHotkey, self.sendFriendsListEvent) if self.clarabelleButtonObscured <= 0 and self.isTeleportAllowed(): if self.catalogNotify == ToontownGlobals.NewItems or self.mailboxNotify == ToontownGlobals.NewItems or self.simpleMailNotify == ToontownGlobals.NewItems or self.inviteMailNotify == ToontownGlobals.NewItems or self.awardNotify == ToontownGlobals.NewItems: showClarabelle = not launcher or launcher.getPhaseComplete(5.5) for quest in self.quests: if quest[0] in Quests.PreClarabelleQuestIds and self.mailboxNotify != ToontownGlobals.NewItems and self.awardNotify != ToontownGlobals.NewItems: showClarabelle = 0 if base.cr.playGame.getPlace().getState() == 'stickerBook': showClarabelle = 0 if showClarabelle: newItemsInMailbox = self.mailboxNotify == ToontownGlobals.NewItems or self.awardNotify == ToontownGlobals.NewItems self.showClarabelleGui(newItemsInMailbox) clarabelleHidden = 0 if clarabelleHidden: if self.__catalogNotifyDialog: self.__catalogNotifyDialog.cleanup() self.__catalogNotifyDialog = None else: self.newCatalogNotify() if self.moveFurnitureButtonObscured <= 0: if self.furnitureManager != None and self.furnitureDirector == self.doId: self.loadFurnitureGui() self.__furnitureGui.setPos(0.155, -0.6, -1.045) self.__furnitureGui.setScale(0.06) elif self.cr.furnitureManager != None: self.showFurnitureGui() if self.__lerpFurnitureButton: self.__lerpFurnitureButton.finish() self.__lerpFurnitureButton = self.__furnitureGui.posHprScaleInterval(1.0, pos=Point3(0.115, 0.0, -0.66), hpr=Vec3(0.0, 0.0, 0.0), scale=Vec3(0.04, 0.04, 0.04), blendType='easeInOut', name='lerpFurnitureButton') self.__lerpFurnitureButton.start() if hasattr(self, 'inEstate') and self.inEstate: self.loadGardeningGui() self.hideGardeningGui() else: self.hideGardeningGui() return def setGhostMode(self, flag): if flag == 2: self.seeGhosts = 1 DistributedToon.DistributedToon.setGhostMode(self, flag) def newCatalogNotify(self): if not self.gotCatalogNotify: return hasPhase = not launcher or launcher.getPhaseComplete(5.5) if not hasPhase: return if not self.friendsListButtonActive or self.friendsListButtonObscured > 0: return self.gotCatalogNotify = 0 currentWeek = self.catalogScheduleCurrentWeek - 1 if currentWeek < 57: seriesNumber = currentWeek / ToontownGlobals.CatalogNumWeeksPerSeries + 1 weekNumber = currentWeek % ToontownGlobals.CatalogNumWeeksPerSeries + 1 elif currentWeek < 65: seriesNumber = 6 weekNumber = currentWeek - 56 else: seriesNumber = currentWeek / ToontownGlobals.CatalogNumWeeksPerSeries + 2 weekNumber = currentWeek % ToontownGlobals.CatalogNumWeeksPerSeries + 1 message = None if self.mailboxNotify == ToontownGlobals.NoItems: if self.catalogNotify == ToontownGlobals.NewItems: if self.catalogScheduleCurrentWeek == 1: message = (TTLocalizer.CatalogNotifyFirstCatalog, TTLocalizer.CatalogNotifyInstructions) else: message = (TTLocalizer.CatalogNotifyNewCatalog % weekNumber,) elif self.mailboxNotify == ToontownGlobals.NewItems: if self.catalogNotify == ToontownGlobals.NewItems: message = (TTLocalizer.CatalogNotifyNewCatalogNewDelivery % weekNumber,) else: message = (TTLocalizer.CatalogNotifyNewDelivery,) elif self.mailboxNotify == ToontownGlobals.OldItems: if self.catalogNotify == ToontownGlobals.NewItems: message = (TTLocalizer.CatalogNotifyNewCatalogOldDelivery % weekNumber,) else: message = (TTLocalizer.CatalogNotifyOldDelivery,) if self.awardNotify == ToontownGlobals.NoItems: pass elif self.awardNotify == ToontownGlobals.NewItems: oldStr = '' if message: oldStr = message[0] + ' ' oldStr += TTLocalizer.AwardNotifyNewItems message = (oldStr,) elif self.awardNotify == ToontownGlobals.OldItems: oldStr = '' if message: oldStr = message[0] + ' ' oldStr += TTLocalizer.AwardNotifyOldItems message = (oldStr,) if self.simpleMailNotify == ToontownGlobals.NewItems or self.inviteMailNotify == ToontownGlobals.NewItems: oldStr = '' if message: oldStr = message[0] + ' ' oldStr += TTLocalizer.MailNotifyNewItems message = (oldStr,) if message == None: return #if self.__catalogNotifyDialog: #self.__catalogNotifyDialog.cleanup() #self.__catalogNotifyDialog = CatalogNotifyDialog.CatalogNotifyDialog(message) #base.playSfx(self.soundPhoneRing) return def allowHardLand(self): retval = LocalAvatar.LocalAvatar.allowHardLand(self) return retval def setShovelGuiLevel(self, level = 0): pass def setWateringCanGuiLevel(self, level = 0): pass def loadGardeningGui(self): if self.__gardeningGui: return gardenGuiCard = loader.loadModel('phase_5.5/models/gui/planting_gui') self.__gardeningGui = DirectFrame(relief=None, geom=gardenGuiCard, geom_color=GlobalDialogColor, geom_scale=(0.17, 1.0, 0.3), pos=(-1.2, 0, 0.5), scale=1.0) self.__gardeningGui.setName('gardeningFrame') self.__gardeningGuiFake = DirectFrame(relief=None, geom=None, geom_color=GlobalDialogColor, geom_scale=(0.17, 1.0, 0.3), pos=(-1.2, 0, 0.5), scale=1.0) self.__gardeningGuiFake.setName('gardeningFrameFake') iconScale = 1 iconColorWhite = Vec4(1.0, 1.0, 1.0, 1.0) iconColorGrey = Vec4(0.7, 0.7, 0.7, 1.0) iconColorBrown = Vec4(0.7, 0.4, 0.3, 1.0) iconColorBlue = Vec4(0.2, 0.3, 1.0, 1.0) shovelCardP = loader.loadModel('phase_5.5/models/gui/planting_but_shovel_P') shovelCardY = loader.loadModel('phase_5.5/models/gui/planting_but_shovel_Y') wateringCanCardP = loader.loadModel('phase_5.5/models/gui/planting_but_can_P') wateringCanCardY = loader.loadModel('phase_5.5/models/gui/planting_but_can_Y') backCard = loader.loadModel('phase_5.5/models/gui/planting_gui') iconImage = None iconModels = loader.loadModel('phase_3.5/models/gui/sos_textures') iconGeom = iconModels.find('**/fish') buttonText = TTLocalizer.GardeningPlant self.shovelText = ('', '', buttonText, '') self.__shovelButtonFake = DirectLabel(parent=self.__gardeningGuiFake, relief=None, text=self.shovelText, text_align=TextNode.ALeft, text_pos=(0.0, -0.0), text_scale=0.07, text_fg=(1, 1, 1, 1), text_shadow=(0, 0, 0, 1), image_scale=(0.18, 1.0, 0.36), geom=None, geom_scale=iconScale, geom_color=iconColorWhite, pos=(0.15, 0, 0.2), scale=0.775) self.shovelButtonFake = self.__shovelButtonFake self.shovelText = ('', '', buttonText, '') self.__shovelButton = DirectButton(parent=self.__gardeningGui, relief=None, text=self.shovelText, text_align=TextNode.ACenter, text_pos=(0.0, -0.0), text_scale=0.1, text_fg=(1, 1, 1, 1), text_shadow=(0, 0, 0, 1), image=(shovelCardP, shovelCardY, shovelCardY, shovelCardY), image_scale=(0.18, 1.0, 0.36), geom=None, geom_scale=iconScale, geom_color=iconColorWhite, pos=(0, 0, 0.2), scale=0.775, command=self.__shovelButtonClicked) self.shovelButton = self.__shovelButton iconGeom = iconModels.find('**/teleportIcon') buttonText = TTLocalizer.GardeningWater self.waterText = (buttonText, buttonText, buttonText, '') self.__wateringCanButtonFake = DirectLabel(parent=self.__gardeningGuiFake, relief=None, text=self.waterText, text_align=TextNode.ALeft, text_pos=(0.0, -0.0), text_scale=0.07, text_fg=(1, 1, 1, 1), text_shadow=(0, 0, 0, 1), image_scale=(0.18, 1.0, 0.36), geom=None, geom_scale=iconScale, geom_color=iconColorWhite, pos=(0.15, 0, 0.01), scale=0.775) self.wateringCanButtonFake = self.__wateringCanButtonFake self.__wateringCanButton = DirectButton(parent=self.__gardeningGui, relief=None, text=self.waterText, text_align=TextNode.ACenter, text_pos=(0.0, -0.0), text_scale=0.1, text_fg=(1, 1, 1, 1), text_shadow=(0, 0, 0, 1), image=(wateringCanCardP, wateringCanCardY, wateringCanCardY, wateringCanCardY), image_scale=(0.18, 1.0, 0.36), geom=None, geom_scale=iconScale, geom_color=iconColorWhite, pos=(0, 0, 0.01), scale=0.775, command=self.__wateringCanButtonClicked) self.wateringCanButton = self.__wateringCanButton self.basketText = '%s / %s' % (self.numFlowers, self.maxFlowerBasket) self.basketButton = DirectLabel(parent=self.__gardeningGui, relief=None, text=self.basketText, text_align=TextNode.ALeft, text_pos=(0.82, -1.4), text_scale=0.2, text_fg=(1, 1, 1, 1), text_shadow=(0, 0, 0, 1), image=None, image_scale=iconScale, geom=None, geom_scale=iconScale, geom_color=iconColorWhite, pos=(-0.34, 0, 0.16), scale=0.3, textMayChange=1) if hasattr(self, 'shovel'): self.setShovelGuiLevel(self.shovel) if hasattr(self, 'wateringCan'): self.setWateringCanGuiLevel(self.wateringCan) self.__shovelButton.hide() self.__wateringCanButton.hide() self.__shovelButtonFake.hide() self.__wateringCanButtonFake.hide() return def changeButtonText(self, button, text): button['text'] = text def resetWaterText(self): self.wateringCanButton['text'] = self.waterText def resetShovelText(self): self.shovelButton['text'] = self.holdShovelText def showGardeningGui(self): self.loadGardeningGui() self.__gardeningGui.show() base.setCellsAvailable([base.leftCells[2]], 0) def hideGardeningGui(self): if self.__gardeningGui: self.__gardeningGui.hide() base.setCellsAvailable([base.leftCells[2]], 1) def showShovelButton(self, add = 0): if add: self.shovelButtonActiveCount += add else: self.showingShovel = 1 self.notify.debug('showing shovel %s' % self.shovelButtonActiveCount) self.__gardeningGui.show() self.__shovelButton.show() def hideShovelButton(self, deduct = 0): self.shovelButtonActiveCount -= deduct if deduct == 0: self.showingShovel = 0 if self.shovelButtonActiveCount < 1: self.shovelButtonActiveCount = 0 if self.showingShovel == 0: self.__shovelButton.hide() self.handleAllGardeningButtonsHidden() self.notify.debug('hiding shovel %s' % self.shovelButtonActiveCount) def showWateringCanButton(self, add = 0): if add: self.wateringCanButtonActiveCount += add else: self.showingWateringCan = 1 self.__gardeningGui.show() self.__wateringCanButton.show() self.basketButton.show() def hideWateringCanButton(self, deduct = 0): self.wateringCanButtonActiveCount -= deduct if deduct == 0: self.showingWateringCan = 0 if self.wateringCanButtonActiveCount < 1: wateringCanButtonActiveCount = 0 if self.showingWateringCan == 0: self.__wateringCanButton.hide() self.handleAllGardeningButtonsHidden() def showWateringCanButtonFake(self, add = 0): self.__wateringCanButtonFake.show() def hideWateringCanButtonFake(self, deduct = 0): self.__wateringCanButtonFake.hide() def showShovelButtonFake(self, add = 0): self.__shovelButtonFake.show() def hideShovelButtonFake(self, deduct = 0): self.__shovelButtonFake.hide() def levelWater(self, change = 1): if change < 0: return self.showWateringCanButtonFake(1) if change < 1: changeString = TTLocalizer.GardeningNoSkill else: changeString = '+%s %s' % (change, TTLocalizer.GardeningWaterSkill) self.waterTrack = Sequence(Wait(0.0), Func(self.changeButtonText, self.wateringCanButtonFake, changeString), SoundInterval(globalBattleSoundCache.getSound('GUI_balloon_popup.ogg'), node=self), Wait(1.0), Func(self.hideWateringCanButtonFake, 1)) self.waterTrack.start() def levelShovel(self, change = 1): if change < 1: return self.showShovelButtonFake(1) if change < 1: changeString = TTLocalizer.GardeningNoSkill else: changeString = '+%s %s' % (change, TTLocalizer.GardeningShovelSkill) plant = base.cr.doId2do.get(self.shovelRelatedDoId) if plant: self.holdShovelText = plant.getShovelAction() self.shovelTrack = Sequence(Wait(0.0), Func(self.changeButtonText, self.shovelButtonFake, changeString), SoundInterval(globalBattleSoundCache.getSound('GUI_balloon_popup.ogg'), node=self), Wait(1.0), Func(self.hideShovelButtonFake, 1)) self.shovelTrack.start() def setGuiConflict(self, con): self.guiConflict = con def getGuiConflict(self, con): return self.guiConflict def verboseState(self): self.lastPlaceState = 'None' taskMgr.add(self.__expressState, 'expressState', extraArgs=[]) def __expressState(self, task = None): place = base.cr.playGame.getPlace() if place: state = place.fsm.getCurrentState() if state.getName() != self.lastPlaceState: print 'Place State Change From %s to %s' % (self.lastPlaceState, state.getName()) self.lastPlaceState = state.getName() return Task.cont def addShovelRelatedDoId(self, doId): if hasattr(base.cr.playGame.getPlace(), 'detectedGardenPlotDone'): place = base.cr.playGame.getPlace() state = place.fsm.getCurrentState() if state.getName() == 'stopped': return self.touchingPlantList.append(doId) self.autoSetActivePlot() def removeShovelRelatedDoId(self, doId): if doId in self.touchingPlantList: self.touchingPlantList.remove(doId) self.autoSetActivePlot() def autoSetActivePlot(self): if self.guiConflict: return if len(self.touchingPlantList) > 0: minDist = 10000 minDistPlot = 0 for plot in self.touchingPlantList: plant = base.cr.doId2do.get(plot) if plant: if self.getDistance(plant) < minDist: minDist = self.getDistance(plant) minDistPlot = plot else: self.touchingPlantList.remove(plot) if len(self.touchingPlantList) == 0: self.setActivePlot(None) else: self.setActivePlot(minDistPlot) else: self.setActivePlot(None) return def setActivePlot(self, doId): if not self.gardenStarted: return self.shovelRelatedDoId = doId plant = base.cr.doId2do.get(doId) if plant: self.startStareAt(plant, Point3(0, 0, 1)) self.__shovelButton['state'] = DGG.NORMAL if not plant.canBePicked(): self.hideShovelButton() else: self.showShovelButton() self.setShovelAbility(TTLocalizer.GardeningPlant) if plant.getShovelAction(): self.setShovelAbility(plant.getShovelAction()) if plant.getShovelAction() == TTLocalizer.GardeningPick: if not plant.unlockPick(): self.__shovelButton['state'] = DGG.DISABLED self.setShovelAbility(TTLocalizer.GardeningFull) self.notify.debug('self.shovelRelatedDoId = %d' % self.shovelRelatedDoId) if plant.getShovelCommand(): self.extraShovelCommand = plant.getShovelCommand() self.__shovelButton['command'] = self.__shovelButtonClicked if plant.canBeWatered(): self.showWateringCanButton() else: self.hideWateringCanButton() else: self.stopStareAt() self.shovelRelatedDoId = 0 if self.__shovelButton: self.__shovelButton['command'] = None self.hideShovelButton() self.hideWateringCanButton() self.handleAllGardeningButtonsHidden() if not self.inGardenAction: if hasattr(base.cr.playGame.getPlace(), 'detectedGardenPlotDone'): place = base.cr.playGame.getPlace() if place: place.detectedGardenPlotDone() return def setPlantToWater(self, plantId): import pdb pdb.set_trace() if self.plantToWater == None: self.plantToWater = plantId self.notify.debug('setting plant to water %s' % plantId) return def clearPlantToWater(self, plantId): if not hasattr(self, 'secondaryPlant'): self.secondaryWaterPlant = None if self.plantToWater == plantId: self.plantToWater = None self.hideWateringCanButton() return def hasPlant(self): if self.plantToWater != None: return 1 else: return 0 return def handleAllGardeningButtonsHidden(self): somethingVisible = False if not self.__shovelButton.isHidden(): somethingVisible = True if not self.__wateringCanButton.isHidden(): somethingVisible = True if not somethingVisible: self.hideGardeningGui() def setShovelAbility(self, ability): self.shovelAbility = ability if self.__shovelButton: self.__shovelButton['text'] = ability def setFlowerBasket(self, speciesList, varietyList): DistributedToon.DistributedToon.setFlowerBasket(self, speciesList, varietyList) self.numFlowers = len(self.flowerBasket.flowerList) self.maxFlowerBasket if hasattr(self, 'basketButton'): self.basketText = '%s / %s' % (self.numFlowers, self.maxFlowerBasket) self.basketButton['text'] = self.basketText def setShovelSkill(self, skillLevel): if hasattr(self, 'shovelSkill') and hasattr(self, 'shovelButton'): if self.shovelSkill != None: self.levelShovel(skillLevel - self.shovelSkill) oldShovelSkill = self.shovelSkill DistributedToon.DistributedToon.setShovelSkill(self, skillLevel) if hasattr(self, 'shovel'): oldShovelPower = GardenGlobals.getShovelPower(self.shovel, oldShovelSkill) newShovelPower = GardenGlobals.getShovelPower(self.shovel, self.shovelSkill) almostMaxedSkill = GardenGlobals.ShovelAttributes[GardenGlobals.MAX_SHOVELS - 1]['skillPts'] - 2 if skillLevel >= GardenGlobals.ShovelAttributes[self.shovel]['skillPts']: self.promoteShovel() elif oldShovelSkill and oldShovelPower < newShovelPower: self.promoteShovelSkill(self.shovel, self.shovelSkill) elif oldShovelSkill == almostMaxedSkill and newShovelPower == GardenGlobals.getNumberOfShovelBoxes(): self.promoteShovelSkill(self.shovel, self.shovelSkill) return def setWateringCanSkill(self, skillLevel): skillDelta = skillLevel - self.wateringCanSkill if skillDelta or 1: if hasattr(self, 'wateringCanSkill') and hasattr(self, 'wateringCanButton'): if self.wateringCanSkill != None: self.levelWater(skillDelta) DistributedToon.DistributedToon.setWateringCanSkill(self, skillLevel) if hasattr(self, 'wateringCan'): if skillLevel >= GardenGlobals.WateringCanAttributes[self.wateringCan]['skillPts']: self.promoteWateringCan() return def unlockGardeningButtons(self, task = None): if hasattr(self, '_LocalToon__shovelButton'): try: self.__shovelButton['state'] = DGG.NORMAL except TypeError: self.notify.warning('Could not unlock the shovel button- Type Error') if hasattr(self, '_LocalToon__wateringCanButton'): try: self.__wateringCanButton['state'] = DGG.NORMAL except TypeError: self.notify.warning('Could not unlock the watering can button - Type Error') taskMgr.remove('unlockGardenButtons') return None def lockGardeningButtons(self, task = None): if hasattr(self, '_LocalToon__shovelButton'): try: self.__shovelButton['state'] = DGG.DISABLED except TypeError: self.notify.warning('Could not lock the shovel button- Type Error') if hasattr(self, '_LocalToon__wateringCanButton'): try: self.__wateringCanButton['state'] = DGG.DISABLED except TypeError: self.notify.warning('Could not lock the watering can button - Type Error') self.accept('endPlantInteraction', self.__handleEndPlantInteraction) return None def reactivateShovel(self, task = None): if hasattr(self, '_LocalToon__shovelButton'): self.__shovelButton['state'] = DGG.NORMAL taskMgr.remove('reactShovel') return None def reactivateWater(self, task = None): if hasattr(self, '_LocalToon__wateringCanButton'): self.__wateringCanButton['state'] = DGG.NORMAL taskMgr.remove('reactWater') return None def handleEndPlantInteraction(self, object = None, replacement = 0): if not replacement: self.setInGardenAction(None, object) self.autoSetActivePlot() return def __handleEndPlantInteraction(self, task = None): self.setInGardenAction(None) self.autoSetActivePlot() return def promoteShovelSkill(self, shovelLevel, shovelSkill): shovelName = GardenGlobals.ShovelAttributes[shovelLevel]['name'] shovelBeans = GardenGlobals.getShovelPower(shovelLevel, shovelSkill) oldShovelBeans = GardenGlobals.getShovelPower(shovelLevel, shovelSkill - 1) doPartyBall = False message = TTLocalizer.GardenShovelSkillLevelUp % {'shovel': shovelName, 'oldbeans': oldShovelBeans, 'newbeans': shovelBeans} if shovelBeans == GardenGlobals.getNumberOfShovelBoxes(): if shovelSkill == GardenGlobals.ShovelAttributes[shovelLevel]['skillPts'] - 1: doPartyBall = True message = TTLocalizer.GardenShovelSkillMaxed % {'shovel': shovelName, 'oldbeans': oldShovelBeans, 'newbeans': shovelBeans} messagePos = Vec2(0, 0.2) messageScale = 0.07 image = loader.loadModel('phase_5.5/models/gui/planting_but_shovel_P') imagePos = Vec3(0, 0, -0.13) imageScale = Vec3(0.28, 0, 0.56) if doPartyBall: go = Fanfare.makeFanfareWithMessageImage(0, base.localAvatar, 1, message, Vec2(0, 0.2), 0.08, image, Vec3(0, 0, -0.1), Vec3(0.35, 0, 0.7), wordwrap=23) Sequence(go[0], Func(go[1].show), LerpColorScaleInterval(go[1], duration=0.5, startColorScale=Vec4(1, 1, 1, 0), colorScale=Vec4(1, 1, 1, 1)), Wait(10), LerpColorScaleInterval(go[1], duration=0.5, startColorScale=Vec4(1, 1, 1, 1), colorScale=Vec4(1, 1, 1, 0)), Func(go[1].remove)).start() else: go = Fanfare.makePanel(base.localAvatar, 1) Fanfare.makeMessageBox(go, message, messagePos, messageScale, wordwrap=24) Fanfare.makeImageBox(go.itemFrame, image, imagePos, imageScale) Sequence(Func(go.show), LerpColorScaleInterval(go, duration=0.5, startColorScale=Vec4(1, 1, 1, 0), colorScale=Vec4(1, 1, 1, 1)), Wait(10), LerpColorScaleInterval(go, duration=0.5, startColorScale=Vec4(1, 1, 1, 1), colorScale=Vec4(1, 1, 1, 0)), Func(go.remove)).start() def promoteShovel(self, shovelLevel = 0): shovelName = GardenGlobals.ShovelAttributes[shovelLevel]['name'] shovelBeans = GardenGlobals.getShovelPower(shovelLevel, 0) message = TTLocalizer.GardenShovelLevelUp % {'shovel': shovelName, 'oldbeans': shovelBeans - 1, 'newbeans': shovelBeans} messagePos = Vec2(0, 0.2) messageScale = 0.07 image = loader.loadModel('phase_5.5/models/gui/planting_but_shovel_P') imagePos = Vec3(0, 0, -0.13) imageScale = Vec3(0.28, 0, 0.56) go = Fanfare.makePanel(base.localAvatar, 1) Fanfare.makeMessageBox(go, message, messagePos, messageScale, wordwrap=24) Fanfare.makeImageBox(go.itemFrame, image, imagePos, imageScale) Sequence(Func(go.show), LerpColorScaleInterval(go, duration=0.5, startColorScale=Vec4(1, 1, 1, 0), colorScale=Vec4(1, 1, 1, 1)), Wait(10), LerpColorScaleInterval(go, duration=0.5, startColorScale=Vec4(1, 1, 1, 1), colorScale=Vec4(1, 1, 1, 0)), Func(go.remove)).start() def promoteWateringCan(self, wateringCanlevel = 0): message = TTLocalizer.GardenWateringCanLevelUp + ' \n' + GardenGlobals.WateringCanAttributes[wateringCanlevel]['name'] messagePos = Vec2(0, 0.2) messageScale = 0.08 image = loader.loadModel('phase_5.5/models/gui/planting_but_can_P') imagePos = Vec3(0, 0, -0.1) imageScale = Vec3(0.35, 0, 0.7) if wateringCanlevel >= GardenGlobals.MAX_WATERING_CANS - 1: go = Fanfare.makeFanfareWithMessageImage(0, base.localAvatar, 1, message, Vec2(0, 0.2), 0.08, image, Vec3(0, 0, -0.1), Vec3(0.35, 0, 0.7)) Sequence(go[0], Func(go[1].show), LerpColorScaleInterval(go[1], duration=0.5, startColorScale=Vec4(1, 1, 1, 0), colorScale=Vec4(1, 1, 1, 1)), Wait(5), LerpColorScaleInterval(go[1], duration=0.5, startColorScale=Vec4(1, 1, 1, 1), colorScale=Vec4(1, 1, 1, 0)), Func(go[1].remove)).start() else: go = Fanfare.makePanel(base.localAvatar, 1) Fanfare.makeMessageBox(go, message, messagePos, messageScale) Fanfare.makeImageBox(go.itemFrame, image, imagePos, imageScale) Sequence(Func(go.show), LerpColorScaleInterval(go, duration=0.5, startColorScale=Vec4(1, 1, 1, 0), colorScale=Vec4(1, 1, 1, 1)), Wait(5), LerpColorScaleInterval(go, duration=0.5, startColorScale=Vec4(1, 1, 1, 1), colorScale=Vec4(1, 1, 1, 0)), Func(go.remove)).start() def setInGardenAction(self, actionObject, fromObject = None): if actionObject: self.lockGardeningButtons() elif fromObject: self.unlockGardeningButtons() else: self.unlockGardeningButtons() self.inGardenAction = actionObject def __wateringCanButtonClicked(self): self.notify.debug('wateringCanButtonClicked') if self.inGardenAction: return plant = base.cr.doId2do.get(self.shovelRelatedDoId) if plant: if hasattr(plant, 'handleWatering'): plant.handleWatering() messenger.send('wakeup') def __shovelButtonClicked(self): if self.inGardenAction: return self.notify.debug('shovelButtonClicked') messenger.send('wakeup') thingId = self.shovelRelatedDoId thing = base.cr.doId2do.get(thingId) if hasattr(self, 'extraShovelCommand'): self.extraShovelCommand() self.setActivePlot(thingId) def setShovel(self, shovelId): DistributedToon.DistributedToon.setShovel(self, shovelId) if self.__gardeningGui: self.setShovelGuiLevel(shovelId) def setWateringCan(self, wateringCanId): DistributedToon.DistributedToon.setWateringCan(self, wateringCanId) if self.__gardeningGui: self.setWateringCanGuiLevel(wateringCanId) def setGardenStarted(self, bStarted): self.gardenStarted = bStarted if self.gardenStarted and not self.gardenPage and hasattr(self, 'book'): self.loadGardenPages() def b_setAnimState(self, animName, animMultiplier = 1.0, callback = None, extraArgs = []): if self.wantStatePrint: print 'Local Toon Anim State %s' % animName DistributedToon.DistributedToon.b_setAnimState(self, animName, animMultiplier, callback, extraArgs) def swimTimeoutAction(self): self.ignore('wakeup') self.takeOffSuit() base.cr.playGame.getPlace().fsm.request('final') self.b_setAnimState('TeleportOut', 1, self.__handleSwimExitTeleport, [0]) return Task.done def __handleSwimExitTeleport(self, requestStatus): self.notify.info('closing shard...') base.cr.gameFSM.request('closeShard', ['afkTimeout']) def sbFriendAdd(self, id, info): print 'sbFriendAdd' def sbFriendUpdate(self, id, info): print 'sbFriendUpdate' def sbFriendRemove(self, id): print 'sbFriendRemove' def addGolfPage(self): if self.hasPlayedGolf(): if hasattr(self, 'golfPage') and self.golfPage != None: return if not launcher.getPhaseComplete(6): self.acceptOnce('phaseComplete-6', self.addGolfPage) return self.golfPage = GolfPage.GolfPage() self.golfPage.setAvatar(self) self.golfPage.load() self.book.addPage(self.golfPage, pageName=TTLocalizer.GolfPageTitle) return def addEventsPage(self): if hasattr(self, 'eventsPage') and self.eventsPage != None: return if not launcher.getPhaseComplete(4): self.acceptOnce('phaseComplete-4', self.addEventsPage) return self.eventsPage = EventsPage.EventsPage() self.eventsPage.load() self.book.addPage(self.eventsPage, pageName=TTLocalizer.EventsPageName) return def addNewsPage(self): self.newsPage = NewsPage.NewsPage() self.newsPage.load() self.book.addPage(self.newsPage, pageName=TTLocalizer.NewsPageName) def addTIPPage(self): self.tipPage = TIPPage.TIPPage() self.tipPage.load() self.book.addPage(self.tipPage, pageName=TTLocalizer.TIPPageTitle) def setPinkSlips(self, pinkSlips): DistributedToon.DistributedToon.setPinkSlips(self, pinkSlips) self.inventory.updateTotalPropsText() def getAccountDays(self): days = 0 defaultDays = base.cr.config.GetInt('account-days', -1) if defaultDays >= 0: days = defaultDays elif hasattr(base.cr, 'accountDays'): days = base.cr.accountDays return days def hasActiveBoardingGroup(self): if hasattr(localAvatar, 'boardingParty') and localAvatar.boardingParty: return localAvatar.boardingParty.hasActiveGroup(localAvatar.doId) else: return False def getZoneId(self): return self._zoneId def setZoneId(self, value): if value == -1: self.notify.error('zoneId should not be set to -1, tell Redmond') self._zoneId = value zoneId = property(getZoneId, setZoneId) def systemWarning(self, warningText = 'Acknowledge this system message.'): self.createSystemMsgAckGui() self.systemMsgAckGui['text'] = warningText self.systemMsgAckGui.show() def createSystemMsgAckGui(self): if self.systemMsgAckGui == None or self.systemMsgAckGui.isEmpty(): message = 'o' * 100 self.systemMsgAckGui = TTDialog.TTGlobalDialog(doneEvent=self.systemMsgAckGuiDoneEvent, message=message, style=TTDialog.Acknowledge) self.systemMsgAckGui.hide() return def hideSystemMsgAckGui(self): if self.systemMsgAckGui != None and not self.systemMsgAckGui.isEmpty(): self.systemMsgAckGui.hide() return def setSleepAutoReply(self, fromId): av = base.cr.identifyAvatar(fromId) if isinstance(av, DistributedToon.DistributedToon): base.localAvatar.setSystemMessage(0, TTLocalizer.sleep_auto_reply % av.getName(), WhisperPopup.WTToontownBoardingGroup) elif av is not None: self.notify.warning('setSleepAutoReply from non-toon %s' % fromId) return def setLastTimeReadNews(self, newTime): self.lastTimeReadNews = newTime def getLastTimeReadNews(self): return self.lastTimeReadNews def cheatCogdoMazeGame(self, kindOfCheat = 0): if config.GetBool('allow-cogdo-maze-suit-hit-cheat'): maze = base.cr.doFind('DistCogdoMazeGame') if maze: if kindOfCheat == 0: for suitNum in maze.game.suitsById.keys(): suit = maze.game.suitsById[suitNum] maze.sendUpdate('requestSuitHitByGag', [suit.type, suitNum]) elif kindOfCheat == 1: for joke in maze.game.pickups: maze.sendUpdate('requestPickUp', [joke.serialNum]) else: self.sendUpdate('logSuspiciousEvent', ['cheatCogdoMazeGame']) def isReadingNews(self): result = False if base.cr and base.cr.playGame and base.cr.playGame.getPlace() and hasattr(base.cr.playGame.getPlace(), 'fsm') and base.cr.playGame.getPlace().fsm: fsm = base.cr.playGame.getPlace().fsm curState = fsm.getCurrentState().getName() if curState == 'stickerBook' and WantNewsPage: if hasattr(self, 'newsPage'): if self.book.isOnPage(self.newsPage): result = True return result def isBookOpen(self): result = False if base.cr and base.cr.playGame and base.cr.playGame.getPlace() and hasattr(base.cr.playGame.getPlace(), 'fsm') and base.cr.playGame.getPlace().fsm: fsm = base.cr.playGame.getPlace().fsm curState = fsm.getCurrentState().getName() if curState == 'stickerBook': result = True return result def doTeleportResponse(self, fromAvatar, toAvatar, avId, available, shardId, hoodId, zoneId, sendToId): localAvatar.d_teleportResponse(avId, available, shardId, hoodId, zoneId, sendToId) def d_teleportResponse(self, avId, available, shardId, hoodId, zoneId, sendToId = None): if config.GetBool('want-tptrack', False): if available == 1: self.notify.debug('sending teleportResponseToAI') self.sendUpdate('teleportResponseToAI', [avId, available, shardId, hoodId, zoneId, sendToId]) else: self.sendUpdate('teleportResponse', [avId, available, shardId, hoodId, zoneId], sendToId) else: DistributedPlayer.DistributedPlayer.d_teleportResponse(self, avId, available, shardId, hoodId, zoneId, sendToId) def startQuestMap(self): if self.questMap: self.questMap.start() def stopQuestMap(self): if self.questMap: self.questMap.stop() def getPetId(self): return self.petId def hasPet(self): return self.petId != 0 def _startZombieCheck(self): pass def _stopZombieCheck(self): pass
silly-wacky-3-town-toon/SOURCE-COD
toontown/toon/LocalToon.py
Python
apache-2.0
87,894
[ "VisIt" ]
b58f4993d54e81b2b913d8c56493130e81578421fb2648981ce6725cc9c7697f
"""Options manager for :class:`~diofant.polys.polytools.Poly` and public API functions.""" import re from ..core import Basic, I, sympify from ..utilities import has_dups, numbered_symbols, topological_sort from .polyerrors import FlagError, GeneratorsError, OptionError __all__ = 'Options', 'Order' class Option: """Base class for all kinds of options.""" option = None is_Flag = False requires = [] excludes = [] after = [] before = [] @classmethod def default(cls): return @classmethod def preprocess(cls, option): return # pragma: no cover @classmethod def postprocess(cls, options): return class Flag(Option): """Base class for all kinds of flags.""" is_Flag = True class BooleanOption(Option): """An option that must have a boolean value or equivalent assigned.""" @classmethod def preprocess(cls, value): if value in [True, False]: return bool(value) else: raise OptionError(f"'{cls.option}' must have a boolean value assigned, got {value}") class OptionType(type): """Base type for all options that does registers options.""" def __init__(cls, *args, **kwargs): @property def getter(a): try: return a[cls.option] except KeyError: return cls.default() setattr(Options, cls.option, getter) Options.__options__[cls.option] = cls class Options(dict): """ Options manager for polynomial manipulation module. Examples ======== >>> Options((x, y, z), {'domain': 'ZZ'}) {'auto': False, 'domain': ZZ, 'gens': (x, y, z)} >>> build_options((x, y, z), {'domain': 'ZZ'}) {'auto': False, 'domain': ZZ, 'gens': (x, y, z)} **Options** * Expand --- boolean option * Gens --- option * Wrt --- option * Sort --- option * Order --- option * Field --- boolean option * Greedy --- boolean option * Domain --- option * Split --- boolean option * Gaussian --- boolean option * Extension --- option * Modulus --- option * Symmetric --- boolean option * Strict --- boolean option **Flags** * Auto --- boolean flag * Frac --- boolean flag * Formal --- boolean flag * Polys --- boolean flag * Include --- boolean flag * All --- boolean flag * Gen --- flag """ __order__ = None __options__ = {} def __init__(self, gens, args, flags=None, strict=False): dict.__init__(self) if gens and args.get('gens', ()): raise OptionError( "both '*gens' and keyword argument 'gens' supplied") elif gens: args = dict(args) args['gens'] = gens defaults = args.pop('defaults', {}) def preprocess_options(args): for option, value in args.items(): try: cls = self.__options__[option] except KeyError: raise OptionError(f"'{option}' is not a valid option") if issubclass(cls, Flag): if strict and (flags is None or option not in flags): raise OptionError(f"'{option}' flag is not allowed in this context") if value is not None: self[option] = cls.preprocess(value) preprocess_options(args) for key, value in dict(defaults).items(): if key in self: del defaults[key] else: for option in self: cls = self.__options__[option] if key in cls.excludes: del defaults[key] break preprocess_options(defaults) for option in self: cls = self.__options__[option] for exclude_option in cls.excludes: if self.get(exclude_option) is not None: raise OptionError(f"'{option}' option is not allowed together with '{exclude_option}'") for option in self.__order__: self.__options__[option].postprocess(self) @classmethod def _init_dependencies_order(cls): """Resolve the order of options' processing.""" if cls.__order__ is None: vertices, edges = [], set() for name, option in cls.__options__.items(): vertices.append(name) for _name in option.after: edges.add((_name, name)) for _name in option.before: edges.add((name, _name)) try: cls.__order__ = topological_sort((vertices, list(edges))) except ValueError: raise RuntimeError('cycle detected in diofant.polys' ' options framework') def clone(self, updates={}): """Clone ``self`` and update specified options.""" obj = dict.__new__(self.__class__) for option, value in self.items(): obj[option] = value for option, value in updates.items(): obj[option] = value return obj def __setattr__(self, attr, value): if attr in self.__options__: self[attr] = value else: super().__setattr__(attr, value) @property def args(self): args = {} for option, value in self.items(): if value is not None and option != 'gens': cls = self.__options__[option] if not issubclass(cls, Flag): args[option] = value return args @property def options(self): options = {} for option, cls in self.__options__.items(): if not issubclass(cls, Flag): options[option] = getattr(self, option) return options @property def flags(self): flags = {} for option, cls in self.__options__.items(): if issubclass(cls, Flag): flags[option] = getattr(self, option) return flags class Expand(BooleanOption, metaclass=OptionType): """``expand`` option to polynomial manipulation functions.""" option = 'expand' requires = [] excludes = [] @classmethod def default(cls): return True class Gens(Option, metaclass=OptionType): """``gens`` option to polynomial manipulation functions.""" option = 'gens' requires = [] excludes = [] @classmethod def default(cls): return () @classmethod def preprocess(cls, gens): if isinstance(gens, Basic): gens = gens, elif len(gens) == 1 and hasattr(gens[0], '__iter__'): gens = gens[0] if gens == (None,): gens = () elif has_dups(gens): raise GeneratorsError(f'duplicated generators: {gens}') elif any(gen.is_commutative is False for gen in gens): raise GeneratorsError(f'non-commutative generators: {gens}') return tuple(gens) class Wrt(Option, metaclass=OptionType): """``wrt`` option to polynomial manipulation functions.""" option = 'wrt' requires = [] excludes = [] _re_split = re.compile(r'\s*,\s*|\s+') @classmethod def preprocess(cls, wrt): if isinstance(wrt, Basic): return [str(wrt)] elif isinstance(wrt, str): wrt = wrt.strip() if wrt.endswith(','): raise OptionError('Bad input: missing parameter.') if not wrt: return [] return list(cls._re_split.split(wrt)) elif hasattr(wrt, '__getitem__'): return list(map(str, wrt)) else: raise OptionError("invalid argument for 'wrt' option") class Sort(Option, metaclass=OptionType): """``sort`` option to polynomial manipulation functions.""" option = 'sort' requires = [] excludes = [] @classmethod def default(cls): return [] @classmethod def preprocess(cls, sort): if isinstance(sort, str): return [gen.strip() for gen in sort.split('>')] elif hasattr(sort, '__getitem__'): return list(map(str, sort)) else: raise OptionError("invalid argument for 'sort' option") class Order(Option, metaclass=OptionType): """``order`` option to polynomial manipulation functions.""" option = 'order' requires = [] excludes = [] @classmethod def default(cls): from .orderings import lex return lex @classmethod def preprocess(cls, order): from .orderings import monomial_key return monomial_key(order) class Field(BooleanOption, metaclass=OptionType): """``field`` option to polynomial manipulation functions.""" option = 'field' requires = [] excludes = ['domain', 'split', 'gaussian'] class Greedy(BooleanOption, metaclass=OptionType): """``greedy`` option to polynomial manipulation functions.""" option = 'greedy' requires = [] excludes = ['domain', 'split', 'gaussian', 'extension', 'modulus'] class Composite(BooleanOption, metaclass=OptionType): """``composite`` option to polynomial manipulation functions.""" option = 'composite' @classmethod def default(cls): return requires = [] excludes = ['domain', 'split', 'gaussian', 'modulus'] class Domain(Option, metaclass=OptionType): """``domain`` option to polynomial manipulation functions.""" option = 'domain' requires = [] excludes = ['field', 'greedy', 'split', 'gaussian', 'extension'] after = ['gens'] _re_realfield = re.compile(r'^(R|RR)(_(\d+))?$') _re_complexfield = re.compile(r'^(C|CC)(_(\d+))?$') _re_finitefield = re.compile(r'^(FF|GF)\((\d+)\)$') _re_polynomial = re.compile(r'^(Z|ZZ|Q|QQ)\[(.+)\]$') _re_fraction = re.compile(r'^(Z|ZZ|Q|QQ)\((.+)\)$') _re_algebraic = re.compile(r'^(Q|QQ)\<(.+)\>$') @classmethod def preprocess(cls, domain): from .. import domains if isinstance(domain, domains.Domain): return domain elif isinstance(domain, str): if domain in ['Z', 'ZZ']: return domains.ZZ if domain in ['Q', 'QQ']: return domains.QQ if domain == 'EX': return domains.EX r = cls._re_realfield.match(domain) if r is not None: _, _, prec = r.groups() if prec is None: return domains.RR else: return domains.RealField(int(prec)) r = cls._re_complexfield.match(domain) if r is not None: _, _, prec = r.groups() if prec is None: return domains.CC else: return domains.ComplexField(int(prec)) r = cls._re_finitefield.match(domain) if r is not None: return domains.FF(int(r.groups()[1])) r = cls._re_polynomial.match(domain) if r is not None: ground, gens = r.groups() gens = list(map(sympify, gens.split(','))) if ground in ['Z', 'ZZ']: return domains.ZZ.inject(*gens) else: return domains.QQ.inject(*gens) r = cls._re_fraction.match(domain) if r is not None: ground, gens = r.groups() gens = list(map(sympify, gens.split(','))) if ground in ['Z', 'ZZ']: return domains.ZZ.inject(*gens).field else: return domains.QQ.inject(*gens).field r = cls._re_algebraic.match(domain) if r is not None: gens = list(map(sympify, r.groups()[1].split(','))) return domains.QQ.algebraic_field(*gens) raise OptionError(f'expected a valid domain specification, got {domain}') @classmethod def postprocess(cls, options): from .. import domains if 'gens' in options and 'domain' in options and options['domain'].is_Composite and \ (set(options['domain'].symbols) & set(options['gens'])): raise GeneratorsError('ground domain and generators ' 'interfere together') elif ('gens' not in options or not options['gens']) and \ 'domain' in options and options['domain'] == domains.EX: raise GeneratorsError('you have to provide generators because' ' EX domain was requested') class Split(BooleanOption, metaclass=OptionType): """``split`` option to polynomial manipulation functions.""" option = 'split' requires = [] excludes = ['field', 'greedy', 'domain', 'gaussian', 'extension', 'modulus'] @classmethod def postprocess(cls, options): if 'split' in options: raise NotImplementedError("'split' option is not implemented yet") class Gaussian(BooleanOption, metaclass=OptionType): """``gaussian`` option to polynomial manipulation functions.""" option = 'gaussian' requires = [] excludes = ['field', 'greedy', 'domain', 'split', 'extension', 'modulus'] @classmethod def postprocess(cls, options): if 'gaussian' in options and options['gaussian'] is True: options['extension'] = {I} Extension.postprocess(options) class Extension(Option, metaclass=OptionType): """``extension`` option to polynomial manipulation functions.""" option = 'extension' requires = [] excludes = ['greedy', 'domain', 'split', 'gaussian', 'modulus'] @classmethod def preprocess(cls, extension): if extension == 1: return bool(extension) elif extension == 0: return bool(extension) else: if not hasattr(extension, '__iter__'): extension = {extension} else: if not extension: extension = None else: extension = set(extension) return extension @classmethod def postprocess(cls, options): from .. import domains if 'extension' in options and options['extension'] not in (True, False): options['domain'] = domains.QQ.algebraic_field( *options['extension']) class Modulus(Option, metaclass=OptionType): """``modulus`` option to polynomial manipulation functions.""" option = 'modulus' requires = [] excludes = ['greedy', 'split', 'domain', 'gaussian', 'extension'] @classmethod def preprocess(cls, modulus): modulus = sympify(modulus) if modulus.is_Integer and modulus > 0: return int(modulus) else: raise OptionError( f"'modulus' must a positive integer, got {modulus}") @classmethod def postprocess(cls, options): from .. import domains if 'modulus' in options: modulus = options['modulus'] options['domain'] = domains.FF(modulus) class Strict(BooleanOption, metaclass=OptionType): """``strict`` option to polynomial manipulation functions.""" option = 'strict' @classmethod def default(cls): return True class Auto(BooleanOption, Flag, metaclass=OptionType): """``auto`` flag to polynomial manipulation functions.""" option = 'auto' after = ['field', 'domain', 'extension', 'gaussian'] @classmethod def default(cls): return True @classmethod def postprocess(cls, options): if ('domain' in options or 'field' in options) and 'auto' not in options: options['auto'] = False class Frac(BooleanOption, Flag, metaclass=OptionType): """``frac`` option to polynomial manipulation functions.""" option = 'frac' @classmethod def default(cls): return False class Formal(BooleanOption, Flag, metaclass=OptionType): """``formal`` flag to polynomial manipulation functions.""" option = 'formal' @classmethod def default(cls): return False class Polys(BooleanOption, Flag, metaclass=OptionType): """``polys`` flag to polynomial manipulation functions.""" option = 'polys' class Include(BooleanOption, Flag, metaclass=OptionType): """``include`` flag to polynomial manipulation functions.""" option = 'include' @classmethod def default(cls): return False class All(BooleanOption, Flag, metaclass=OptionType): """``all`` flag to polynomial manipulation functions.""" option = 'all' @classmethod def default(cls): return False class Gen(Flag, metaclass=OptionType): """``gen`` flag to polynomial manipulation functions.""" option = 'gen' @classmethod def default(cls): return 0 @classmethod def preprocess(cls, gen): if isinstance(gen, (Basic, int)): return gen else: raise OptionError("invalid argument for 'gen' option") class Symbols(Flag, metaclass=OptionType): """``symbols`` flag to polynomial manipulation functions.""" option = 'symbols' @classmethod def default(cls): return numbered_symbols('s', start=1) @classmethod def preprocess(cls, symbols): if hasattr(symbols, '__iter__'): return iter(symbols) else: raise OptionError('expected an iterator or ' f'iterable container, got {symbols}') class Method(Flag, metaclass=OptionType): """``method`` flag to polynomial manipulation functions.""" option = 'method' @classmethod def preprocess(cls, method): if isinstance(method, str): return method.lower() else: raise OptionError(f'expected a string, got {method}') def build_options(gens, args=None): """Construct options from keyword arguments or ... options.""" if args is None: gens, args = (), gens if len(args) != 1 or 'opt' not in args or gens: return Options(gens, args) else: return args['opt'] def allowed_flags(args, flags): """ Allow specified flags to be used in the given context. Examples ======== >>> allowed_flags({'domain': ZZ}, []) >>> allowed_flags({'domain': ZZ, 'frac': True}, []) Traceback (most recent call last): ... FlagError: 'frac' flag is not allowed in this context >>> allowed_flags({'domain': ZZ, 'frac': True}, ['frac']) """ flags = set(flags) for arg in args: try: if Options.__options__[arg].is_Flag and arg not in flags: raise FlagError( f"'{arg}' flag is not allowed in this context") except KeyError: raise OptionError(f"'{arg}' is not a valid option") def set_defaults(options, **defaults): """Update options with default values.""" if 'defaults' not in options: options = dict(options) options['defaults'] = defaults return options Options._init_dependencies_order()
skirpichev/omg
diofant/polys/polyoptions.py
Python
bsd-3-clause
19,400
[ "Gaussian" ]
d95f2cfbc7b92b3ae8ed2bc4edd01a28db103c87bb26e94cb8179ef7627727f5
# emacs: -*- mode: python; py-indent-offset: 4; indent-tabs-mode: nil -*- # vi: set ft=python sts=4 ts=4 sw=4 et: ''' This module contains the one-parameter exponential families used for fitting GLMs and GAMs. These families are described in P. McCullagh and J. A. Nelder. "Generalized linear models." Monographs on Statistics and Applied Probability. Chapman & Hall, London, 1983. ''' from .family import (Gaussian, Family, Poisson, Gamma, InverseGaussian, Binomial)
bthirion/nipy
nipy/algorithms/statistics/models/family/__init__.py
Python
bsd-3-clause
503
[ "Gaussian" ]
a2ec2ee37b68095809e233b663a52eec668817820e23f068b73fecad64cd9f1b
"""================================================= pipeline_testing - automated testing of pipelines ================================================= This pipeline executes other pipelines for testing purposes. Overview ======== This pipeline implements automated testing of CGAT pipelines. The pipeline downloads test data from a specified URL, runs the associated pipeline for each data set and compares the output with a reference. The results are collected in a report. Tests are setup in the pipeline configuration file. Usage ===== See :ref:`PipelineSettingUp` and :ref:`PipelineRunning` on general information how to use CGAT pipelines. In order to run all tests, simply enter an empty directory and type:: python <srcdir>/pipeline_testing.py config Edit the config files as required and then type:: python <srcdir>/pipeline_testing.py make full python <srcdir>/pipeline_testing.py make build_report The first command will download the data and run the pipelines while the second will build a summary report. Configuration ------------- The pipeline requires a configured :file:`pipeline.ini` file. Tests are described as section in the configuration file. A test section starts with the prefix ``test_``. For following example is a complete test setup:: [test_mytest1] # pipeline to run pipeline=pipeline_mapping # pipeline target to run (default is 'full') # multiple targets can be specified as a comma separated list. target=full # filename suffixes to checksum regex_md5=gtf.gz,bed.gz,tsv.gz,bam,nreads # regular expression of files to be excluded from # test for difference. Use | to separate multiple # regular expressions. regex_only_exist=rates.gff.gz This configuration will run the test ``mytest1``. The associated pipeline is :doc:`pipeline_mapping` and it will execute the target ``make full``. To check if the pipeline has completed successfully, it will compare all files ending with any of the suffixes specified (``gtf.gz``, ``bed.gz``, etc). The comparison will be done by building a checksum of the whole file ignoring any comments (lines starting with a ``#``). Some files will be different at every run, for example if they use some form of random initialization. Thus, the exact test can be relaxed for groups of files. Files matching the regular expression in ``regex_linecount`` will test if a file exists and the number of lines are identitical. Files matching the regular expressions in ``regex_exist`` will thus only be tested if they exist or not. The test expects a file called :file:`test_mytest1.tgz` with the test data at the download URL (parameter ``data_url``). To define a default test for a pipeline, simply name the test ``test_<pipeline name>``, for example:: [test_mapping] regex_md5=gtf.gz,bed.gz,tsv.gz,bam,nreads Note that setting the ``target`` and ``pipeline`` options is not necessary in this case as the default values suffice. Input data ---------- The input data for each test resides a compressed tar-ball. The input data should uncompress in a directory called :file:`<testname>.dir` The tar-ball need also contain a file :file:`<testname>.ref` containing the md5 checksums of files of a previous run of the test that is being used as a reference. The input data should contain all the data that is required for running a test within a directory. It is best to minimize dependencies between tests, though there is a mechanism for this (see below). For example, the contents of a tar-ball will look light this:: test_mytest1.dir/ # test data root test_mytest1.dir/Brain-F2-R1.fastq.gz # test data test_mytest1.dir/Brain-F1-R1.fastq.gz test_mytest1.dir/hg19.fasta # genomic data test_mytest1.dir/hg19.idx test_mytest1.dir/hg19.fa test_mytest1.dir/hg19.fa.fai test_mytest1.dir/pipeline.ini # pipeline configuration file test_mytest1.dir/indices/ # configured to work in test dir test_mytest1.dir/indices/bwa/ # bwa indices test_mytest1.dir/indices/bwa/hg19.bwt test_mytest1.dir/indices/bwa/hg19.ann test_mytest1.dir/indices/bwa/hg19.pac test_mytest1.dir/indices/bwa/hg19.sa test_mytest1.dir/indices/bwa/hg19.amb test_mytest1.ref # reference file The reference file looks like this:: test_mytest1.dir/bwa.dir/Brain-F2-R2.bwa.bam 0e1c4ee88f0249c21e16d93ac496eddf test_mytest1.dir/bwa.dir/Brain-F1-R2.bwa.bam 01bee8af5bbb5b1d13ed82ef1bc3620d test_mytest1.dir/bwa.dir/Brain-F2-R1.bwa.bam 80902c87519b6865a9ca982787280972 test_mytest1.dir/bwa.dir/Brain-F1-R1.bwa.bam 503c99ab7042a839e56147fb1a221f27 ... This file is created by the test pipeline and called :file:`test_mytest1.md5`. When setting up a test, start with an empty files and later add this file to the test data. Pipeline dependencies --------------------- Some pipelines depend on the output of other pipelines, most notable is :doc:`pipeline_annotations`. To run a set of pipelines before other pipelines name them in the option ``prerequisites``, for example:: prerequisites=prereq_annnotations Pipeline output =============== The major output is in the database file :file:`csvdb`. Code ==== """ from ruffus import files, transform, suffix, follows, merge, collate, regex, mkdir import sys import pipes import os import re import glob import tarfile import pandas import CGAT.Experiment as E import CGAT.IOTools as IOTools ################################################### ################################################### ################################################### # Pipeline configuration ################################################### # load options from the config file import CGATPipelines.Pipeline as P P.getParameters( ["%s/pipeline.ini" % os.path.splitext(__file__)[0], "../pipeline.ini", "pipeline.ini"]) PARAMS = P.PARAMS # obtain prerequisite generic data @files([(None, "%s.tgz" % x) for x in P.asList(PARAMS.get("prerequisites", ""))]) def setupPrerequisites(infile, outfile): '''setup pre-requisites. These are tar-balls that are unpacked, but not run. ''' to_cluster = False track = P.snip(outfile, ".tgz") # obtain data - should overwrite pipeline.ini file statement = ''' wget --no-check-certificate -O %(track)s.tgz %(data_url)s/%(track)s.tgz''' P.run() tf = tarfile.open(outfile) tf.extractall() @files([(None, "%s.tgz" % x) for x in P.CONFIG.sections() if x.startswith("test")]) def setupTests(infile, outfile): '''setup tests. This method creates a directory in which a test will be run and downloads test data with configuration files. ''' to_cluster = False track = P.snip(outfile, ".tgz") if os.path.exists(track + ".dir"): raise OSError('directory %s.dir already exists, please delete' % track) # create directory os.mkdir(track + ".dir") # run pipeline config pipeline_name = PARAMS.get( "%s_pipeline" % track, "pipeline_" + track[len("test_"):]) statement = ''' (cd %(track)s.dir; python %(pipelinedir)s/%(pipeline_name)s.py %(pipeline_options)s config) >& %(outfile)s.log ''' P.run() # obtain data - should overwrite pipeline.ini file statement = ''' wget --no-check-certificate -O %(track)s.tgz %(data_url)s/%(track)s.tgz''' P.run() tf = tarfile.open(outfile) tf.extractall() if not os.path.exists("%s.dir" % track): raise ValueError( "test package did not create directory '%s.dir'" % track) def runTest(infile, outfile): '''run a test. Multiple targets are run iteratively. ''' track = P.snip(outfile, ".log") pipeline_name = PARAMS.get( "%s_pipeline" % track, "pipeline_" + track[len("test_"):]) pipeline_targets = P.asList( PARAMS.get("%s_target" % track, "full")) # do not run on cluster, mirror # that a pipeline is started from # the head node to_cluster = False template_statement = ''' (cd %%(track)s.dir; python %%(pipelinedir)s/%%(pipeline_name)s.py %%(pipeline_options)s make %s) >& %%(outfile)s ''' if len(pipeline_targets) == 1: statement = template_statement % pipeline_targets[0] P.run(ignore_errors=True) else: statements = [] for pipeline_target in pipeline_targets: statements.append(template_statement % pipeline_target) P.run(ignore_errors=True) # @follows(setupTests) # @files([("%s.tgz" % x, "%s.log" % x) # for x in P.asList(PARAMS.get("prerequisites", ""))]) # def runPreparationTests(infile, outfile): # '''run pre-requisite pipelines.''' # runTest(infile, outfile) @follows(setupTests, setupPrerequisites) @files([("%s.tgz" % x, "%s.log" % x) for x in P.CONFIG.sections() if x.startswith("test") and x not in P.asList(PARAMS.get("prerequisites", ""))]) def runTests(infile, outfile): '''run a pipeline with test data.''' runTest(infile, outfile) @transform(runTests, suffix(".log"), ".report") def runReports(infile, outfile): '''run a pipeline report.''' track = P.snip(outfile, ".report") pipeline_name = PARAMS.get( "%s_pipeline" % track, "pipeline_" + track[len("test_"):]) statement = ''' (cd %(track)s.dir; python %(pipelinedir)s/%(pipeline_name)s.py %(pipeline_options)s make build_report) >& %(outfile)s ''' P.run(ignore_errors=True) def compute_file_metrics(infile, outfile, metric, suffixes): """apply a tool to compute metrics on a list of files matching regex_pattern.""" if suffixes is None or len(suffixes) == 0: E.info("No metrics computed for {}".format(outfile)) IOTools.touchFile(outfile) return track = P.snip(infile, ".log") # convert regex patterns to a suffix match: # prepend a .* # append a $ regex_pattern = " -or ".join(["-regex .*{}$".format(pipes.quote(x)) for x in suffixes]) E.debug("applying metric {} to files matching {}".format(metric, regex_pattern)) if metric == "file": statement = '''find %(track)s.dir -type f -not -regex '.*\/report.*' -not -regex '.*\/_.*' \( %(regex_pattern)s \) | sort -k1,1 > %(outfile)s''' else: statement = '''find %(track)s.dir -type f -not -regex '.*\/report.*' -not -regex '.*\/_.*' \( %(regex_pattern)s \) -exec %(pipeline_scriptsdir)s/cgat_file_apply.sh {} %(metric)s \; | perl -p -e "s/ +/\\t/g" | sort -k1,1 > %(outfile)s''' P.run() @follows(runReports) @transform(runTests, suffix(".log"), ".md5") def buildCheckSums(infile, outfile): '''build checksums for files in the build directory. Files are uncompressed before computing the checksum as gzip stores meta information such as the time stamp. ''' track = P.snip(infile, ".log") compute_file_metrics( infile, outfile, metric="md5sum", suffixes=P.asList(P.asList(PARAMS.get('%s_regex_md5' % track, "")))) @transform(runTests, suffix(".log"), ".lines") def buildLineCounts(infile, outfile): '''compute line counts. Files are uncompressed before computing the number of lines. ''' track = P.snip(infile, ".log") compute_file_metrics( infile, outfile, metric="wc -l", suffixes=P.asList(P.asList(PARAMS.get('%s_regex_linecount' % track, "")))) @transform(runTests, suffix(".log"), ".exist") def checkFileExistence(infile, outfile): '''check whether file exists. Files are uncompressed before checking existence. ''' track = P.snip(infile, ".log") compute_file_metrics( infile, outfile, metric="file", suffixes=P.asList(P.asList(PARAMS.get('%s_regex_exist' % track, "")))) @collate((buildCheckSums, buildLineCounts, checkFileExistence), regex("([^.]*).(.*)"), r"\1.stats") def mergeFileStatistics(infiles, outfile): '''merge all file statistics.''' to_cluster = False infiles = " ".join(sorted(infiles)) statement = ''' %(pipeline_scriptsdir)s/merge_testing_output.sh %(infiles)s > %(outfile)s''' P.run() @merge(mergeFileStatistics, "md5_compare.tsv") def compareCheckSums(infiles, outfile): '''compare checksum files against existing reference data. ''' to_cluster = False outf = IOTools.openFile(outfile, "w") outf.write("\t".join(( ("track", "status", "job_finished", "nfiles", "nref", "missing", "extra", "different", "different_md5", "different_lines", "same", "same_md5", "same_lines", "same_exist", "files_missing", "files_extra", "files_different_md5", "files_different_lines"))) + "\n") for infile in infiles: E.info("working on {}".format(infile)) track = P.snip(infile, ".stats") logfiles = glob.glob(track + "*.log") job_finished = True for logfile in logfiles: is_complete = IOTools.isComplete(logfile) E.debug("logcheck: {} = {}".format(logfile, is_complete)) job_finished = job_finished and is_complete reffile = track + ".ref" # regular expression of files to test only for existence regex_exist = PARAMS.get('%s_regex_exist' % track, None) if regex_exist: regex_exist = re.compile("|".join(P.asList(regex_exist))) regex_linecount = PARAMS.get('%s_regex_linecount' % track, None) if regex_linecount: regex_linecount = re.compile("|".join(P.asList(regex_linecount))) regex_md5 = PARAMS.get('%s_regex_md5' % track, None) if regex_md5: regex_md5 = re.compile("|".join(P.asList(regex_md5))) if not os.path.exists(reffile): raise ValueError('no reference data defined for %s' % track) cmp_data = pandas.read_csv(IOTools.openFile(infile), sep="\t", index_col=0) ref_data = pandas.read_csv(IOTools.openFile(reffile), sep="\t", index_col=0) shared_files = set(cmp_data.index).intersection(ref_data.index) missing = set(ref_data.index).difference(cmp_data.index) extra = set(cmp_data.index).difference(ref_data.index) different = set(shared_files) # remove those for which only check for existence if regex_exist: same_exist = set([x for x in different if regex_exist.search(x)]) different = set([x for x in different if not regex_exist.search(x)]) else: same_exist = set() # select those for which only check for number of lines if regex_linecount: check_lines = [x for x in different if regex_linecount.search(x)] dd = (cmp_data['nlines'][check_lines] != ref_data['nlines'][check_lines]) different_lines = set(dd.index[dd]) different = different.difference(check_lines) dd = (cmp_data['nlines'][check_lines] == ref_data['nlines'][check_lines]) same_lines = set(dd.index[dd]) else: different_lines = set() same_lines = set() # remainder - check md5 if regex_md5: check_md5 = [x for x in different if regex_md5.search(x)] dd = (cmp_data['md5'][check_md5] != ref_data['md5'][check_md5]) different_md5 = set(dd.index[dd]) dd = (cmp_data['md5'][check_md5] == ref_data['md5'][check_md5]) same_md5 = set(dd.index[dd]) else: different_md5 = set() same_md5 = set() if job_finished and (len(missing) + len(extra) + \ len(different_md5) + len(different_lines) == 0): status = "OK" else: status = "FAIL" outf.write("\t".join(map(str, ( track, status, job_finished, len(cmp_data), len(ref_data), len(missing), len(extra), len(different_md5) + len(different_lines), len(different_md5), len(different_lines), len(same_md5) + len(same_lines) + len(same_exist), len(same_md5), len(same_lines), len(same_exist), ",".join(missing), ",".join(extra), ",".join(different_md5), ",".join(different_lines), ))) + "\n") outf.close() @transform(compareCheckSums, suffix(".tsv"), ".load") def loadComparison(infile, outfile): '''load comparison data into database.''' P.load(infile, outfile) @transform(mergeFileStatistics, suffix(".stats"), "_results.load") def loadResults(infile, outfile): '''load comparison data into database.''' P.load(infile, outfile, options="--add-index=file") @transform(mergeFileStatistics, suffix(".ref"), "_reference.load") def loadReference(infile, outfile): '''load comparison data into database.''' P.load(infile, outfile, options="--add-index=file") @follows(runTests, runReports) def run_components(): pass @follows(run_components, loadComparison, loadResults, loadReference) def full(): pass @files(None, 'reset.log') def reset(infile, outfile): '''remove all data in pipeline.''' to_cluster = False statement = ''' rm -rf prereq_* ctmp*; rm -rf test_* _cache _static _templates _tmp report; rm -f *.log csvdb *.load *.tsv''' P.run() ################################################################### ################################################################### ################################################################### # primary targets ################################################################### @follows(mkdir("report")) def build_report(): '''build report from scratch.''' E.info("starting report build process from scratch") P.run_report(clean=True) @follows(mkdir("report")) def update_report(): '''update report.''' E.info("updating report") P.run_report(clean=False) @follows(update_report) def publish_report(): '''publish report.''' E.info("publishing report") P.publish_report() if __name__ == "__main__": sys.exit(P.main(sys.argv))
AntonioJBT/CGATPipeline_core
CGATPipelines/pipeline_testing.py
Python
mit
19,055
[ "BWA" ]
b5ed18fe94bd640f28da8412a22e5bf2a11610099f1cbbaac14d5c6d15850c16
#!/usr/bin/env python """ Created on Thu Dec 19 14:31:36 2013 Author: Oren Freifeld Email: freifeld@csail.mit.edu """ import numpy as np from pylab import plt from scipy import sparse from of.utils import * from cpab.cpaNd import CpaSpace as CpaSpaceNd from cpab.cpaNd.utils import null from cpab.cpa2d.utils import * from cpab.cpa2d.ConfigPlt import ConfigPlt from cpab.cpa2d.Tessellation import Tessellation class CpaSpace(CpaSpaceNd): dim_domain=2 dim_range=2 nHomoCoo = dim_domain+1 lengthAvee = dim_domain * nHomoCoo Ashape = dim_domain,nHomoCoo def __init__(self,XMINS,XMAXS,nCs, zero_v_across_bdry, vol_preserve,warp_around=[False]*2, conformal=False, zero_vals=[],cpa_calcs=None, tess=['II','I'][0], valid_outside=None, only_local=False, cont_constraints_are_separable=None): if cont_constraints_are_separable is None: raise ObsoleteError(""" Expected True/False value for cont_constraints_are_separable; got None instead""") if tess == 'II' and valid_outside is not None: print "tess='II' --> ignoring the value of valid_outside" if tess == 'I': if valid_outside is None: raise ValueError("tess='I' so you must pass valid_outside=True/False" ) self.valid_outside=valid_outside nCx,nCy=map(int,nCs) debug_cont_constraints_are_separable=False if cont_constraints_are_separable: print 'Check if can actually use separable continuity:' if any(zero_v_across_bdry): cont_constraints_are_separable=False print 'any(zero_v_across_bdry) is True' if vol_preserve: cont_constraints_are_separable=False print 'vol_preserve is True' if nCx!=nCy: cont_constraints_are_separable=False print 'nCx!=nCy' if XMINS[0]!=XMINS[1]: cont_constraints_are_separable=False print 'XMINS[0]!=XMINS[1]' if XMAXS[0]!=XMAXS[1]: cont_constraints_are_separable=False print 'XMAXS[0]!=XMAXS[1]' if not cont_constraints_are_separable: debug_cont_constraints_are_separable=False print 'so I could not use separable continuity.' else: print '\nWill use separable continuity.\n' super(CpaSpace,self).__init__(XMINS,XMAXS,nCs, zero_v_across_bdry, vol_preserve=vol_preserve, warp_around=warp_around, conformal=conformal, zero_vals=zero_vals, cpa_calcs=cpa_calcs,tess=tess, valid_outside=valid_outside, only_local=only_local, cont_constraints_are_separable=cont_constraints_are_separable) tessellation = Tessellation(nCx,nCy,self.nC,self.XMINS,self.XMAXS,tess=tess) self.tessellation=tessellation try: # raise FileDoesNotExistError("fake file") subspace=Pkl.load(self.filename_subspace,verbose=1) B=subspace['B'] nConstraints=subspace['nConstraints'] nEdges=subspace['nEdges'] constraintMat=subspace['constraintMat'] try: cont_constraints_are_separable=subspace['cont_constraints_are_separable'] except KeyError: cont_constraints_are_separable=False except FileDoesNotExistError: nC = self.nC verts1,verts2,H,nEdges,nConstraints = self.tessellation.create_verts_and_H( dim_range=self.dim_range,valid_outside=valid_outside) if cont_constraints_are_separable == False or debug_cont_constraints_are_separable: L = create_cont_constraint_mat(H,verts1,verts2,nEdges,nConstraints,nC, dim_domain=self.dim_domain, dim_range=self.dim_range) if cont_constraints_are_separable: Lx = create_cont_constraint_mat_separable(H,verts1,verts2,nEdges,nConstraints, nC,dim_domain=self.dim_domain, dim_range=self.dim_range,tess=tess) if len(zero_vals): Lzerovals = create_constraint_mat_zerovals(nC,dim_domain=self.dim_domain, dim_range=self.dim_range, zero_vals=zero_vals) L = np.vstack([L,Lzerovals]) nConstraints += Lzerovals.shape[0] if any(zero_v_across_bdry): # Lbdry = self.tessellation.create_constraint_mat_bdry( # zero_v_across_bdry=self.zero_v_across_bdry) # # L = np.vstack([L,Lbdry]) if cont_constraints_are_separable == False or debug_cont_constraints_are_separable: Lbdry = self.tessellation.create_constraint_mat_bdry( zero_v_across_bdry=self.zero_v_across_bdry) L = np.vstack([L,Lbdry]) if cont_constraints_are_separable: Lb = self.tessellation.create_constraint_mat_bdry_separable( zero_v_across_bdry=self.zero_v_across_bdry) raise NotImplementedError(zero_v_across_bdry, cont_constraints_are_separable) nConstraints += Lbdry.shape[0] if self.warp_around[0] or self.warp_around[1]: raise NotImplementedError Lwa = create_constraint_mat_warp_around(cells_verts, nC,dim_domain=self.dim_domain) L = np.vstack([L,Lwa]) nConstraints += Lwa.shape[0] if vol_preserve: Lvol = create_constraint_mat_preserve_vol(nC,dim_domain=self.dim_domain) L = np.vstack([L,Lvol]) nConstraints += Lvol.shape[0] if conformal: Lconf = create_constraint_mat_conformal(nC,dim_domain=self.dim_domain,dim_range=self.dim_range) L = np.vstack([L,Lconf]) nConstraints += Lconf.shape[0] if self.only_local==False: if not cont_constraints_are_separable: B=null(L) else: # to solve a nuch smaller SVD and to get a sparser basis if vol_preserve or any(zero_v_across_bdry): raise NotImplementedError B1=null(Lx) # B1.shape is (nC*nHomoCoo)x dim_null_space if debug_cont_constraints_are_separable: B=null(L) if B1.shape[0]!=B.shape[0]/2: raise ValueError(B1.shape,B.shape) if float(B1.shape[1])*self.dim_range != B.shape[1]: raise ValueError(B1.shape,B.shape) _B = np.zeros((B1.shape[0]*2,B1.shape[1]*self.dim_range),B1.dtype) for j in range(B1.shape[1]): Avees = B1[:,j] # length=self.nC*self.nHomoCoo arr=Avees.reshape(self.nC,self.nHomoCoo) for k in range(self.dim_range): arr2=np.hstack([arr if m==k else np.zeros_like(arr) for m in range(self.dim_range)]) arr3=arr2.reshape(self.nC,self.lengthAvee) arr4=arr3.flatten() _B[:,j+k*B1.shape[1]]=arr4 if debug_cont_constraints_are_separable: if B.shape != _B.shape: raise ValueError(B.shape,_B.shape) B=_B else: if tess != 'I': raise NotImplementedError B = None if cont_constraints_are_separable: L=Lx constraintMat=sparse.csr_matrix(L) Pkl.dump(self.filename_subspace,{'B':B,'cont_constraints_are_separable':cont_constraints_are_separable, 'nConstraints':nConstraints, 'nEdges':nEdges, 'constraintMat':constraintMat}, override=True) # Since B encodes the null space of, it follows that # np.allclose(L.dot(B),0)==True super(CpaSpace,self).__finish_init__(tessellation=tessellation, constraintMat=constraintMat, nConstraints=nConstraints, nInterfaces=nEdges, B=B,zero_vals=zero_vals) self.cont_constraints_are_separable=cont_constraints_are_separable self.x_dense = self._calcs.x_dense self.x_dense_grid = self._calcs.x_dense_grid self.x_dense_img = self._calcs.x_dense_img self.x_dense_grid_img = self._calcs.x_dense_grid_img self.grid_shape = self.x_dense_grid_img[0].shape verts=self.tessellation.cells_verts_homo_coo if 0: # testing for i in range(0,self.nC): for j in range(0,i): verts1=verts[i] verts2=verts[j] shared=[] for v1 in verts1: for v2 in verts2: if (v1==v2).all(): shared.append(v1) shared = np.asarray(shared).T if len(shared)==0: continue # theta =self.get_zeros_theta() for m in range(self.d): # theta[j]=1 Avees=self.get_zeros_PA() Avees[:]=self.B[:,m] # self.theta2Avees(Avees=Avees,theta=theta) As=self.Avees2As(Avees=Avees) Ai=As[i] Aj=As[j] #Ai.dot(shared) is 3 x 3 = dim x #verts_per_side # At the moment, the problem is w/ the last entry of the 4 vert (100,100,0,1) if not np.allclose((Ai-Aj).dot(shared),0): ipshell('FAILED ALL CLOSE TEST') raise ValueError def get_x_dense(self): return self.x_dense def get_x_dense_grid(self): return self.x_dense_grid def get_x_dense_img(self): return self.x_dense_img def get_x_dense_grid_img(self): return self.x_dense_grid_img def __repr__(self): s = "cpa space (tess type {}):".format(self.tess) s += '\n\tCells: {}x{} (nC={})'.format(self.tessellation.nCx,self.tessellation.nCy,self.tessellation.nC) s += '\n\td: {} D: {}'.format(self.d,self.D) if any(self.zero_v_across_bdry): if not all(self.zero_v_across_bdry): raise NotImplementedError("Mixed bdry types") s += '\n\tzero bdry cond: True' s += '\n\tvolume-preserving: {}'.format(self.vol_preserve) if self.tess=='I': s+='\n\tvalid extention: {}'.format(self.valid_outside) return s def calc_tess(self,permute=False): raise ObsoleteError pts = self.get_x_dense_img() cell_idx = np.empty(len(pts),dtype=np.int32) self.calc_cell_idx(pts,cell_idx) if permute: p=np.random.permutation(self.nC) cell_idx2=np.zeros_like(cell_idx) for c in range(self.nC): cell_idx2[cell_idx==c]=p[c] cell_idx=cell_idx2 if self.XMINS.any(): raise NotImplementedError Nx,Ny=self.XMAXS img_idx=cell_idx.reshape(Ny,Nx) return img_idx def quiver(self,x,v,scale,ds=16,color='k',negate_vy=False,pivot='middle', head=True,width=None): """ If width is None, its its value will be dictated by the value of head """ if head: headlength=5 headwidth=3 headaxislength=4.5 if width is None: width=.005 else: headlength=0 headwidth=0 headaxislength=0 if width is None: width=.003 if x is None: raise ValueError # if x is None: # x=self.xx # y=self.yy # if x.size != v[:,0].size: # x=self.x_img # y=self.y_img # # else: # if x.ndim != 2: # raise ValueError(x.shape) # if x.shape[1]!=2: # raise ValueError(x.shape) # # x,y=x[:,0].copy(),x[:,1].copy() # if x.size != v[:,0].size: # raise ValueError(x.shape,v.shape) if x.size != v.size: raise ValueError(x.shape,v.shape) if v.ndim != 2: raise ValueError(v.shape) if v.shape[1]!=2: raise ValueError(v.shape) if x.shape != v.shape: if x.ndim !=3 or x.shape[0]!=2: raise ValueError(x.shape) # x = np.asarray([x[0].flatten(),x[1].flatten()]).T v = np.asarray([v.cpu[:,0].reshape(x.shape[1],x.shape[2]), v.cpu[:,1].reshape(x.shape[1],x.shape[2])]) if x.shape != v.shape: raise ValueError(x.shape,v.shape) # if x.ndim != 2: # raise ValueError(x.shape) # if y.ndim != 2: # raise ValueError(x.shape) # try: # vx = v[:,0].reshape(x.shape) # vy = v[:,1].reshape(x.shape) # except: # raise ValueError(v.shape,x.shape) # if x.shape[1]!=2: # raise NotImplementedError(x.shape) # if v.shape[1]!=2: # raise NotImplementedError(x.shape) if x.ndim !=3 and x.shape[1]!=2: raise ValueError(x.shape) if v.ndim !=3 and v.shape[1]!=2: raise ValueError(v.shape) # _x,_y = x.T # vx,vy = v.T if x.ndim == 2: _x,_y = x.T _u,_v = v.T else: _x,_y = x _u,_v = v if negate_vy: _v = -_v # print scale,ds # 1/0 if _x.ndim==2: plt.quiver(_x[::ds,::ds],_y[::ds,::ds],_u[::ds,::ds],_v[::ds,::ds], angles='xy', scale_units='xy',scale=scale, pivot=pivot, color=color, headlength=headlength, headwidth=headwidth, headaxislength=headaxislength, width=width ) else: plt.quiver(_x[::ds],_y[::ds],_u[::ds],_v[::ds], angles='xy', scale_units='xy',scale=scale, pivot=pivot, color=color, headlength=headlength, headwidth=headwidth, headaxislength=headaxislength, width=width ) def plot_cells(self,color='k',lw=0.5,offset=(0,0)): ox,oy=offset if self.tess == 'II': for c in xrange(self.nC): xmin,ymin=self._xmins[c] xmax,ymax=self._xmaxs[c] # if (xmin == self.XMINS[0] or # ymin == self.XMINS[1] or # xmax == self.XMAXS[0] or # ymax == self.XMAXS[1]): # plt.plot([xmin,xmax,xmax,xmin,xmin], # [ymin,ymin,ymax,ymax,ymin], color=color,lw=lw*10) # else: plt.plot(np.asarray([xmin,xmax,xmax,xmin,xmin])+ox, np.asarray([ymin,ymin,ymax,ymax,ymin])+oy, color=color,lw=lw) else: for c in xrange(self.nC): verts=self.tessellation.cells_verts_homo_coo[c,:,:-1] x=np.asarray([verts[0,0],verts[1,0],verts[2,0],verts[0,0]]) y=np.asarray([verts[0,1],verts[1,1],verts[2,1],verts[0,1]]) plt.plot(x+ox,y+oy, color=color,lw=lw) def inbound(self,x,i_c,out): """ Assumed: x is 2xnPts i_c is the index of the cell in quesiton. Checks, for each element of x, whether it is in the i_c cell. Result is computed in-place in the last input argument. """ raise ObsoleteError("Use compute_inbound instead") if __name__ == '__main__': import pylab from pylab import plt import of.plt from cpa.prob_and_stats.CpaCovs import CpaCovs from cpa.prob_and_stats.cpa_simple_mean import cpa_simple_mean from cpa.cpa2d.calcs import * from of import my_mayavi from mayavi.mlab import mesh if computer.has_good_gpu_card: pylab.ion() # plt.close('all') plt.clf() XMINS=[0,0] XMAXS=[512,512] # XMAXS=[256,256] # XMAXS=[256/2,256/2] nCx,nCy=1,1 nCx,nCy=2,2 # nCx,nCy=3,3 # ## nCx,nCy=10,3 nCx,nCy=3,3 # nCx,nCy=4,4 # nCx,nCy=3,3 # nCx,nCy=6,6 #### nCx,nCy=7,7 # nCx,nCy=16,16 # nCx,nCy=8,8 ### nCx,nCy=9,9 # nCx,nCy=10,10 ## # nCx,nCy=16,16 # nCx,nCy=16,16 # nCx,nCy=8,8 tess=['II','I'][1] if 1 and computer.has_good_gpu_card: if tess == 'II': nCx,nCy=16,16 if tess == 'I': nCx,nCy=8,8 nCx,nCy=16,16 # nCx,nCy=10,10 # nCx,nCy=1,1 # nCx,nCy=6,6 # for tri, this doesn't work well # nCx,nCy=7,7 # nCx,nCy=8,8 zero_v_across_bdry=[True,True] zero_v_across_bdry=[False,False] # zero_v_across_bdry=[True,True] # vol_preserve = [False,True][0] warp_around = [False]*2 Nx=XMAXS[0] Ny=XMAXS[1] config_plt = ConfigPlt(Nx=Nx,Ny=Ny) Ngrids= [ Nx , Ny] cpa_calcs=CpaCalcs(XMINS=XMINS,XMAXS=XMAXS,Ngrids=Ngrids,use_GPU_if_possible=True) cpa_space=CpaSpace(XMINS,XMAXS,[nCx,nCy],zero_v_across_bdry,vol_preserve, warp_around, cpa_calcs=cpa_calcs, # zero_vals=[(0,1)], tess=tess, valid_outside=0) del cpa_calcs if cpa_space.d==0: raise ValueError('dim is 0') print cpa_space cpa_covs = CpaCovs(cpa_space,scale_spatial=1.0 * 1*10*0, scale_value=0.01*10*2*4*10/100, left_blk_rel_scale=1.0/100, right_vec_scale=1) mu = cpa_simple_mean(cpa_space) Avees=cpa_space.theta2Avees(mu) np.random.seed(10) theta = np.random.multivariate_normal(mean=mu,cov=cpa_covs.cpa_cov) cpa_space.theta2Avees(theta,Avees) cpa_space.update_pat(Avees=Avees) pts=CpuGpuArray(cpa_space.x_dense_img) # yy,xx=np.mgrid[-100:cpa_space.XMAXS[1]+100:1, # -100:cpa_space.XMAXS[0]+100:1] # pts = np.vstack([xx.flatten(),yy.flatten()]).T.copy().astype(np.float) cell_idx = CpuGpuArray.zeros(len(pts),dtype=np.int32) cpa_space.calc_cell_idx(pts,cell_idx) cell_idx.gpu2cpu() v_dense = CpuGpuArray.zeros_like(pts) print 'calc v:' tic = time.clock() cpa_space.calc_v(pts=pts,out=v_dense) toc = time.clock() print 'time', toc-tic params_flow_int = get_params_flow_int() # params_flow_int.nTimeSteps *=10 params_flow_int.dt *=100 params_flow_int.nStepsODEsolver=10 src = CpuGpuArray(cpa_space.x_dense_img) transformed = CpuGpuArray.empty_like(src) print params_flow_int print '#pts=',len(pts) tic=time.clock() cpa_space.calc_T_fwd(pts=src,out=transformed,**params_flow_int) toc = time.clock() print "time (done in gpu, not cpu/gpu transfer')",toc-tic v_dense.gpu2cpu() # for display pts.gpu2cpu() # for display # ds=16 ds=8 pts0 = cpa_space.x_dense_grid_img[:,::ds,::ds].reshape(cpa_space.dim_domain,-1).T pts0 = CpuGpuArray(pts0.copy()) 1/0 trajs_full = cpa_space.calc_trajectory(pts=pts0,mysign=1,**params_flow_int) # v_at_trajs_full = np.zeros_like(trajs_full) # for _pts,_v in zip(trajs_full,v_at_trajs_full): # cpa_space.calc_v(pat=pat, pts=_pts, out=_v) pts_grid=cpa_space.x_dense_grid_img # pts_grid = np.asarray([xx,yy]).copy() grid_shape = pts_grid[0].shape fig = plt.figure() plt.subplot(234) # plt.imshow(cell_idx.reshape(Ny,Nx)) plt.imshow(cell_idx.cpu.reshape(grid_shape)) plt.subplot(231) scale=[2*30,1.5*4][vol_preserve] cpa_space.quiver(pts_grid,v_dense,scale, ds=16/2) config_plt() plt.subplot(232) plt.imshow(v_dense.cpu[:,0].reshape(grid_shape),interpolation='Nearest', vmin=v_dense.cpu[:,:].min(),vmax=v_dense.cpu[:,:].max());plt.colorbar() # cpa_space.plot_cells() config_plt() plt.subplot(233) plt.imshow(v_dense.cpu[:,1].reshape(grid_shape),interpolation='Nearest', vmin=v_dense.cpu[:,:].min(),vmax=v_dense.cpu[:,:].max());plt.colorbar() # cpa_space.plot_cells() config_plt() plt.subplot(235) plt.imshow(v_dense.cpu[:,0].reshape(grid_shape),interpolation='Nearest', vmin=v_dense.cpu[:,:].min(),vmax=v_dense.cpu[:,:].max());plt.colorbar() cpa_space.plot_cells(color='k') config_plt() plt.subplot(236) plt.imshow(v_dense.cpu[:,1].reshape(grid_shape),interpolation='Nearest', vmin=v_dense.cpu[:,:].min(),vmax=v_dense.cpu[:,:].max());plt.colorbar() cpa_space.plot_cells(color='k') config_plt() # 1/0 if 0: my_mayavi.mayavi_mlab_close_all() xx=cpa_space.x_dense_grid_img[0] yy=cpa_space.x_dense_grid_img[1] my_mayavi.mayavi_mlab_figure_bgwhite('vx') mesh(xx,yy,0 *xx,opacity=0.25) mesh(xx,yy,v_dense[:,0].reshape(xx.shape)) my_mayavi.mayavi_mlab_figure_bgwhite('vy') mesh(xx,yy,0 *xx,opacity=0.25) mesh(xx,yy,v_dense[:,1].reshape(xx.shape)) # plt.figure() # i = 317 # cpa_space.quiver(trajs_full[:,i],v_at_trajs_full[:,i],scale=10, ds=10) # cpa_space.quiver(trajs_full.reshape(-1,2),v_at_trajs_full.reshape(-1,2),scale=20, ds=10) # config_plt() # for t in range(1,params_flow_int.nTimeSteps+1,5): for t in [params_flow_int.nTimeSteps+1]: break print t plt.clf() trajs = trajs_full[:t].copy() v_at_traj = v_at_trajs_full[t-1] pts1=trajs[-1] # v_at_T = cpa_space.calc_v(pat=pat, # pts = pts1 , # out=None ) for num in [221,222,223,224]: plt.subplot(num) if num in [224]: cpa_space.quiver(cpa_space.xx_img,v_dense, # scale=[2*5,1.5*4][vol_preserve], scale=[2*10,1.5*4][vol_preserve], ds=16*2) if num in [223]: cpa_space.quiver(pts1,v_at_traj,scale=10, ds=1) if num in [222]: plt.plot(pts0[:,0],pts0[:,1],'ro',ms=1) if num in [222,223]: nTraj = trajs.shape[1] for i in range(nTraj): traj = trajs[:,i] plt.plot(traj[:,0],traj[:,1],'b',lw=.5) if num in [221,222]: plt.plot(pts1[:,0],pts1[:,1],'go',ms=1) config_plt() if num==221: # plt.title('T(x;t)') plt.title(r"$T(x;t)$") if num==222: # plt.title("{T(x;t'): t' in [0,t]}") plt.title(r"$\{T(x;\tau): \tau\in [0,t]\}$") if num==223: plt.title(r"$v(T(x;t))$") if num == 224: plt.title(r"$v(\cdot)$") of.plt.maximize_figure() fig_filename = (os.path.join(HOME,'tmp','{0:04}.png'.format(t))) print fig_filename plt.savefig(fig_filename,dpi=300) if 0 and computer.has_good_gpu_card: # ipshell('debug') raw_input("Press Enter to finish.")
freifeld/cpabDiffeo
cpab/cpa2d/CpaSpace.py
Python
mit
27,047
[ "Mayavi" ]
aa9880fd4dea6287cedbfe360cdbcebe8d0238dd221940b4a45c3788ce3c0bc3
# This script will calculate Shannon entropy from a MSA. # Dependencies: # Biopython, Seaborn, Matplotlib, Math """ Shannon's entropy equation (latex format): H=-\sum_{i=1}^{M} P_i\,log_2\,P_i Entropy is a measure of the uncertainty of a probability distribution (p1, ..... , pM) https://stepic.org/lesson/Scoring-Motifs-157/step/7?course=Bioinformatics-Algorithms&unit=436 Where, Pi is the fraction of nuleotide bases of nuleotide base type i, and M is the number of nuleotide base types (A, T, G or C) H ranges from 0 (only one base/residue in present at that position) to 4.322 (all 20 residues are equally represented in that position). Typically, positions with H >2.0 are considerered variable, whereas those with H < 2 are consider conserved. Highly conserved positions are those with H <1.0 (Litwin and Jores, 1992). A minimum number of sequences is however required (~100) for H to describe the diversity of a protein family. """ import os import sys import warnings import traceback __author__ = "Joe R. J. Healey" __version__ = "1.0.0" __title__ = "ShannonMSA" __license__ = "GPLv3" __author_email__ = "J.R.J.Healey@warwick.ac.uk" def parseArgs(): """Parse command line arguments""" import argparse try: parser = argparse.ArgumentParser( description='Compute per base/residue Shannon entropy of a Multiple Sequence Alignment.') parser.add_argument('-a', '--alignment', action='store', required=True, help='The multiple sequence alignment (MSA) in any of the formats supported by Biopython\'s AlignIO.') parser.add_argument('-f', '--alnformat', action='store', default='fasta', help='Specify the format of the input MSA to be passed in to AlignIO.') parser.add_argument('-v', '--verbose', action='count', default=0, help='Verbose behaviour, printing parameters of the script.') parser.add_argument('-m', '--runningmean', action='store', type=int, default=0, help='Return the running mean (a.k.a moving average) of the MSAs Shannon Entropy. Makes for slightly smoother plots. Providing the number of points to average over switches this on.') parser.add_argument('--makeplot', action='store_true', help='Plot the results via Matplotlib.') except: print "An exception occurred with argument parsing. Check your provided options." traceback.print_exc() return parser.parse_args() def parseMSA(msa, alnformat, verbose): """Parse in the MSA file using Biopython's AlignIO""" from Bio import AlignIO alignment = AlignIO.read(msa, alnformat) # Do a little sanity checking: seq_lengths_list = [] for record in alignment: seq_lengths_list.append(len(record)) seq_lengths = set(seq_lengths_list) if verbose > 0: print("Alignment length is:" + str(list(seq_lengths))) if len(seq_lengths) != 1: sys.stderr.write("Your alignment lengths aren't equal. Check your alignment file.") sys.exit(1) index = range(1, list(seq_lengths)[0]+1) return alignment, list(seq_lengths), index ################################################################## # Function to calcuate the Shannon's entropy per alignment column # H=-\sum_{i=1}^{M} P_i\,log_2\,P_i (http://imed.med.ucm.es/Tools/svs_help.html) # Gaps and N's are included in the calculation ################################################################## def shannon_entropy(list_input): """Calculate Shannon's Entropy per column of the alignment (H=-\sum_{i=1}^{M} P_i\,log_2\,P_i)""" import math unique_base = set(list_input) M = len(list_input) entropy_list = [] # Number of residues in column for base in unique_base: n_i = list_input.count(base) # Number of residues of type i P_i = n_i/float(M) # n_i(Number of residues of type i) / M(Number of residues in column) entropy_i = P_i*(math.log(P_i,2)) entropy_list.append(entropy_i) sh_entropy = -(sum(entropy_list)) return sh_entropy def shannon_entropy_list_msa(alignment): """Calculate Shannon Entropy across the whole MSA""" shannon_entropy_list = [] for col_no in xrange(len(list(alignment[0]))): list_input = list(alignment[:, col_no]) shannon_entropy_list.append(shannon_entropy(list_input)) return shannon_entropy_list def plot(index, sel, verbose): """"Create a quick plot via matplotlib to visualise the extended spectrum""" import matplotlib.pyplot as plt if verbose > 0: print("Plotting data...") plt.plot(index, sel) plt.xlabel('MSA Position Index', fontsize=16) plt.ylabel('Shannon Entropy', fontsize=16) plt.show() def running_mean(l, N): sum = 0 result = list(0 for x in l) for i in range( 0, N ): sum = sum + l[i] result[i] = sum / (i+1) for i in range( N, len(l) ): sum = sum - l[i-N] + l[i] result[i] = sum / N return result def main(): """Compute Shannon Entropy from a provided MSA.""" # Parse arguments args = parseArgs() # Convert object elements to standard variables for functions msa = args.alignment alnformat = args.alnformat verbose = args.verbose makeplot = args.makeplot runningmean = args.runningmean # Start calling functions to do the heavy lifting alignment, seq_lengths, index = parseMSA(msa, alnformat, verbose) sel = shannon_entropy_list_msa(alignment) if runningmean > 0: sel = running_mean(sel, runningmean) if makeplot is True: plot(index, sel, verbose) if verbose > 0: print("Index" + '\t' + "Entropy") for c1, c2 in zip(index, sel): print(str(c1) + '\t' + str(c2)) if __name__ == '__main__': main()
MicroInfect/bioinfx
Shannon.py
Python
gpl-3.0
6,304
[ "Biopython" ]
29fd5db820c0f8bc605871c377b47baf18008394d94943ab915cf5a8029f4be6
#========================================================================= # # Program: PXDMFReader Plugin # Module: ReaderSync/py # # Copyright (c) GeM, Ecole Centrale Nantes. # All rights reserved. # Copyright: See COPYING file that comes with this distribution # # # This software is distributed WITHOUT ANY WARRANTY; without even # the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR # PURPOSE. See the above copyright notice for more information. # #========================================================================= from paraview.simple import * import paraview.vtk class ReaderSync(): """ Class to synchronize PXDMF Readers import ReaderSync Pxdmfsync = ReaderSync.ReaderSync() Pxdmfsync.SetFixedDimension('Amp', 1.2) Pxdmfsync.SetFixedDimensionPer('DX', 0.2) """ def __init__(self): self.UpdateSources() self.printstate = 0; def UpdateSources(self): """Update the internal list of PXDMF Readers""" self.mins = {} self.maxs = {} self.sources = GetSources() self.nbSources = len(self.sources) self.PXDMFReaders = [] for i in range(self.nbSources): mysource = self.sources[self.sources.keys()[i]] if(isinstance(mysource, paraview.servermanager.sources.PXDMFReader )): self.PXDMFReaders.append(mysource) rmins = mysource.GetPropertyValue('PXDMFDimsMinRangeDataInfo') rmaxs = mysource.GetPropertyValue('PXDMFDimsMaxRangeDataInfo') names = mysource.GetPropertyValue('PXDMFDimsNameDataInfo') nbdims = len(names) for dim in range(nbdims): if self.mins.has_key(names[dim]): self.mins[names[dim]] = min(self.mins[names[dim]],rmins[dim]) self.maxs[names[dim]] = min(self.maxs[names[dim]],rmaxs[dim]) else: self.mins[names[dim]] = rmins[dim] self.maxs[names[dim]] = rmaxs[dim] def SetFixedDimension(self, name, value): """Set the value of a fixed coordinate """ if not self.mins.has_key(name): return for mysource in self.PXDMFReaders: fixeddims = mysource.GetProperty('FixedDimensions') names = mysource.GetPropertyValue('PXDMFDimsNameDataInfo') for dim in range(len(names)): if names[dim] == name: fixeddims[dim] = value def SetFixedDimensionPer(self, name, value): """Set the value of a fixed coordinate using percentage. value must be between 0 and 1 """ if not self.mins.has_key(name): return for mysource in self.PXDMFReaders: fixeddims = mysource.GetProperty('FixedDimensions') names = mysource.GetPropertyValue('PXDMFDimsNameDataInfo') for dim in range(len(names)): if names[dim] == name: fixeddims[dim] = value*(self.maxs[name]-self.mins[name])+self.mins[name] def SetFixedDimensionIndexPer(self, index, value): """Set the value of a fixed coordinate using percentage. value must be between 0 and 1 """ if len(self.mins)<= index: return name = self.mins.items()[index][0] for mysource in self.PXDMFReaders: fixeddims = mysource.GetProperty('FixedDimensions') names = mysource.GetPropertyValue('PXDMFDimsNameDataInfo') for dim in range(len(names)): if names[dim] == name: fixeddims[dim] = value*(self.maxs[name]-self.mins[name])+self.mins[name] def UpdatePipeline(self): """Call UpdatePipeline() on each register PXDMFReader""" for reader in self.PXDMFReaders: reader.UpdatePipeline() def GetState(self): """To recover the state off all the coordinate in a text form. must set the printstate variable to 1 first >>> Pxdmfsync.printstate = 1 >>> Pxdmfsync.GetState() 'STATE;:Y:0.0:1.0:X:0.0:3.0;FIN' """ if self.printstate: self.UpdateSources(); keys = self.maxs.keys() res = "STATE;" for key in keys : res += ":"+key +":" + str(self.mins[key])+ ":" + str(self.maxs[key]) res += ";FIN\n" self.printstate = 0; return res return "" def pvrotate(x,y): """ Point of view rotation in degree note: Render() must be called to redraw the scene """ renView = GetRenderView() transform = paraview.vtk.vtkTransform() camera = GetActiveCamera() renderer = renView.GetRenderer() scale = paraview.vtk.vtkMath.Norm(camera.GetPosition()) if scale <= 0.0: scale = paraview.vtk.vtkMath.Norm(camera.GetFocalPoint()) if scale <= 0.0: scale = 1.0 FPoint = camera.GetFocalPoint() FPoint0 = FPoint[0] FPoint1 = FPoint[1] FPoint2 = FPoint[2] camera.SetFocalPoint(FPoint0/scale,FPoint1/scale,FPoint2/scale) PPoint = camera.GetPosition() PPoint0 = PPoint[0] PPoint1 = PPoint[1] PPoint2 = PPoint[2] camera.SetPosition(PPoint0/scale,PPoint1/scale,PPoint2/scale) center = renView.CenterOfRotation Center0 = center[0] Center1 = center[1] Center2 = center[2] renderer.SetWorldPoint(Center0,Center1,Center2,1.0) renderer.WorldToDisplay() v2 = [0,0,0] transform.Identity() transform.Translate(Center0/scale,Center1/scale,Center2/scale) camera.OrthogonalizeViewUp() viewUp = camera.GetViewUp() viewUp0 = viewUp[0] viewUp1 = viewUp[1] viewUp2 = viewUp[2] size = renderer.GetSize() transform.RotateWXYZ(360.0 * x / size[0], viewUp0, viewUp1, viewUp2) paraview.vtk.vtkMath.Cross(camera.GetDirectionOfProjection(), viewUp, v2) transform.RotateWXYZ(-360.0 * y / size[1], v2[0], v2[1], v2[2]) transform.Translate(-Center0/scale,-Center1/scale,-Center2/scale) camera.ApplyTransform(transform) camera.OrthogonalizeViewUp() FPoint = camera.GetFocalPoint() FPoint0 = FPoint[0] FPoint1 = FPoint[1] FPoint2 = FPoint[2] camera.SetFocalPoint(FPoint0*scale,FPoint1*scale,FPoint2*scale) PPoint = camera.GetPosition() PPoint0 = PPoint[0] PPoint1 = PPoint[1] PPoint2 = PPoint[2] camera.SetPosition(PPoint0*scale,PPoint1*scale,PPoint2*scale) renderer.ResetCameraClippingRange() def pvzoom(a): """ Zoom : negative number get closer, positive get further away note: Render() must be called to redraw the scene """ RenderView1 = GetRenderView(); Fp = RenderView1.CameraFocalPoint; Cp = RenderView1.CameraPosition; Cvu = RenderView1.CameraViewUp; Ld = [Fp[0]-Cp[0],Fp[1]-Cp[1],Fp[2]-Cp[2]]; RenderView1.CameraPosition[0] = RenderView1.CameraPosition[0]-Ld[0]*a*0.2 RenderView1.CameraPosition[1] = RenderView1.CameraPosition[1]-Ld[1]*a*0.2 RenderView1.CameraPosition[2] = RenderView1.CameraPosition[2]-Ld[2]*a*0.2 GetRenderView().GetRenderer().ResetCameraClippingRange() def pvdolly(a): """ Zoom : positive number get closser, negative get further away note: Render() must be called to redraw the scene """ camera = GetActiveCamera() renView = GetRenderView() renderer = renView.GetRenderer() FPoint = camera.GetFocalPoint() FPoint0 = FPoint[0] FPoint1 = FPoint[1] FPoint2 = FPoint[2] PPoint = camera.GetPosition() PPoint0 = PPoint[0] PPoint1 = PPoint[1] PPoint2 = PPoint[2] Norm = camera.GetDirectionOfProjection() Norm0 = Norm[0] Norm1 = Norm[1] Norm2 = Norm[2] size = renderer.GetSize() rng = GetRenderView().CameraClippingRange ZoomScale = 1.5 * rng[1] / size[1] k = a * ZoomScale temp = k * Norm0 PPoint0 += temp FPoint0 += temp temp = k * Norm1 PPoint1 += temp FPoint1 += temp temp = k * Norm2 PPoint2 += temp FPoint2 += temp camera.SetFocalPoint(FPoint0, FPoint1, FPoint2) camera.SetPosition(PPoint0, PPoint1, PPoint2) renderer.ResetCameraClippingRange() def pvpan(x,y): """ Pan : xpan, ypan note: Render() must be called to redraw the scene """ renView = GetRenderView() camera = GetActiveCamera() (FPoint0,FPoint1,FPoint2) = camera.GetFocalPoint() (PPoint0,PPoint1,PPoint2) = camera.GetPosition() renderer = renView.GetRenderer() renderer.SetWorldPoint(FPoint0, FPoint1, FPoint2, 1.0) renderer.WorldToDisplay() DPoint = renderer.GetDisplayPoint() focalDepth = DPoint[2] (centerX,centerY) = renView.GetRenderWindow().GetSize() APoint0 = centerX/2.0 + x APoint1 = centerY/2.0 + y renderer.SetDisplayPoint(APoint0, APoint1, focalDepth) renderer.DisplayToWorld() (RPoint0,RPoint1,RPoint2,RPoint3) = renderer.GetWorldPoint() if RPoint3 != 0.0: RPoint0 = RPoint0/RPoint3 RPoint1 = RPoint1/RPoint3 RPoint2 = RPoint2/RPoint3 camera.SetFocalPoint( (FPoint0-RPoint0)/2.0 + FPoint0, (FPoint1-RPoint1)/2.0 + FPoint1, (FPoint2-RPoint2)/2.0 + FPoint2) camera.SetPosition( (FPoint0-RPoint0)/2.0 + PPoint0, (FPoint1-RPoint1)/2.0 + PPoint1, (FPoint2-RPoint2)/2.0 + PPoint2) renderer.ResetCameraClippingRange() def pvroll(x): """ roll : rotation in degree note: Render() must be called to redraw the scene """ renView = GetRenderView() camera = GetActiveCamera() renderer = renView.GetRenderer() FPoint = camera.GetFocalPoint() FPoint0 = FPoint[0] FPoint1 = FPoint[1] FPoint2 = FPoint[2] PPoint = camera.GetPosition() PPoint0 = PPoint[0] PPoint1 = PPoint[1] PPoint2 = PPoint[2] Axis0 = FPoint0 - PPoint0 Axis1 = FPoint1 - PPoint1 Axis2 = FPoint2 - PPoint2 center = renView.CenterOfRotation Center0 = center[0] Center1 = center[1] Center2 = center[2] renderer.SetWorldPoint(Center0,Center1,Center2,1.0) renderer.WorldToDisplay() transform = paraview.vtk.vtkTransform() transform.Identity() transform.Translate(Center0,Center1,Center2) transform.RotateWXYZ(x, Axis0, Axis1, Axis2) transform.Translate(-Center0,-Center1,-Center2) camera.ApplyTransform(transform) camera.OrthogonalizeViewUp() renderer.ResetCameraClippingRange()
aleygue/PxdmfSuite
ParaviewPXDMFReader/PGDTools/ReaderSync.py
Python
bsd-3-clause
9,862
[ "ParaView", "VTK" ]
efac9ece5ac20e51ab1a62ec0ea98bd1fc9bebf5488628c3b70b3f1c3edff733
import numpy as np import math import sys sys.path.insert(0,'../..') import os import classifier_eval_simplified from sklearn import tree from sklearn.ensemble import AdaBoostClassifier from sklearn.svm import SVC for dim in range(9,11): comp_file_list=[] #################################################################### # Gaussian samples operation #################################################################### for i in range(1,101): comp_file_list.append((os.environ['MLToolsDir']+"/Dalitz/gaussian_samples/higher_dimensional_gauss/gauss_data/data_high" +str(dim)+"Dgauss_10000_0.5_0.1_0.0_{0}.txt".format(i),os.environ['MLToolsDir']+"/Dalitz/gaussian_samples/higher_dimensional_gauss/gauss_data/data_high"+str(dim)+"Dgauss_10000_0.5_0.1_0.01_{0}.txt".format(i))) #clf = tree.DecisionTreeClassifier('gini','best',37, 89, 1, 0.0, None) clf = AdaBoostClassifier(base_estimator=tree.DecisionTreeClassifier(max_depth=2), learning_rate=0.01,n_estimators=983) #clf = SVC(C=params['aC'],gamma=params['agamma'],probability=True, cache_size=7000) args=[str(dim)+ "Dgauss_bdt_AD","particle","antiparticle",100,comp_file_list,1,clf,np.logspace(-2, 10, 13),np.logspace(-9, 3, 13),1] #For nn: #args=[str(dim)+"Dgauss_nn","particle","antiparticle",100,comp_file_list,1,clf,np.logspace(-2, 10, 13),np.logspace(-9, 3, 13),params['dimof_middle'],params['n_hidden_layers']] #################################################################### classifier_eval_simplified.classifier_eval(0,0,args)
weissercn/MLTools
Dalitz_simplified/evaluation_of_optimised_classifiers/bdt_gauss/bdt_Gauss_evaluation_of_optimised_classifiers.py
Python
mit
1,571
[ "Gaussian" ]
c70c782ae6d71f4fc6b664b0ec8ebed91363f62c297cf126cc00cc0b8678b530
# Copyright 2021 Google LLC. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # pylint: disable=line-too-long r"""Fine-tune gs://vmoe_checkpoints/vmoe_b16_imagenet21k_randaug_strong on CIFAR10. Test accuracy (mean over 3 runs with different fine-tuning seeds): 98.7%. The accuracy is not SOTA. This config file was designed to easily fit on a small TPUv2-8 or TPUv3-8, and fine-tune in about 10 minutes (TPUv3-8). """ # pylint: enable=line-too-long import ml_collections # Paths to manually downloaded datasets and to the tensorflow_datasets data dir. TFDS_MANUAL_DIR = None TFDS_DATA_DIR = None # The following configuration was made to fit on TPUv3-32. The number of images # per device has to be at least 32. BATCH_SIZE = 1024 # Number of images processed in each step. NUM_CLASSES = 10 # Number of CIFAR10 classes. IMAGE_SIZE = 128 # Image size as input to the model. PATCH_SIZE = 16 # Patch size. NUM_LAYERS = 12 # Number of encoder blocks in the transformer. NUM_EXPERTS = 8 # Number of experts in each MoE layer. NUM_SELECTED_EXPERTS = 2 # Maximum number of selected experts per token. # For efficiency reasons, the tokens are divided in several groups of the # following size. The routing is performed independently on each group. # For efficiency reasons, the group size should be a divisor of the number of # tokens in each device. The resulting number of groups MUST be a multiple of # the number of experts. GROUP_SIZE = 8 * ((IMAGE_SIZE // PATCH_SIZE)**2 + 1) # This is the number of tokens that are processed per expert per group. # We give some slack to the expected number of tokens per expert, if the routing # was perfectly balanced. CAPACITY_SIZE_RATIO = 1.5 CAPACITY = int(GROUP_SIZE * CAPACITY_SIZE_RATIO * NUM_SELECTED_EXPERTS // NUM_EXPERTS) def get_config(): """Fine-tune gs://vmoe_checkpoints/vmoe_b16_imagenet21k_randaug_strong on CIFAR10.""" config = ml_collections.ConfigDict() config.dataset = ml_collections.ConfigDict() pp_common = f'value_range(-1,1)|onehot({NUM_CLASSES}, inkey="label", outkey="labels")|keep("image", "labels")' # Dataset variation used for training. config.dataset.train = get_data_params( name='cifar10', split='train[:98%]', process=f'decode|inception_crop({IMAGE_SIZE})|flip_lr|{pp_common}', shuffle_buffer=50_000, cache=None) # Dataset variation used for validation. config.dataset.val = get_data_params( name='cifar10', split='train[98%:]', process=f'decode|resize({IMAGE_SIZE})|{pp_common}', shuffle_buffer=None, cache='batched') # Dataset variation used for test. config.dataset.test = get_data_params( name='cifar10', split='test', process=f'decode|resize({IMAGE_SIZE})|{pp_common}', shuffle_buffer=None, cache='batched') # Loss used to train the model. config.loss = ml_collections.ConfigDict() config.loss.name = 'softmax_xent' # Model parameters depend on the model type. config.description = 'V-MoE-B/16, K=2, Every 2' config.train_steps = 1_000 config.initialization = ml_collections.ConfigDict({ 'name': 'initialize_from_vmoe_release', 'prefix': 'gs://vmoe_checkpoints/vmoe_b16_imagenet21k_randaug_strong', 'keep': ['head'], }) config.model = ml_collections.ConfigDict({ 'name': 'VisionTransformerMoe', 'num_classes': NUM_CLASSES, 'patch_size': (16, 16), 'hidden_size': 768, 'classifier': 'token', 'representation_size': None, 'head_bias_init': -10.0, 'encoder': { 'num_layers': NUM_LAYERS, 'num_heads': 12, 'mlp_dim': 3072, 'dropout_rate': 0.0, 'attention_dropout_rate': 0.0, 'moe': { 'num_experts': NUM_EXPERTS, 'group_size': GROUP_SIZE, 'layers': tuple(range(1, NUM_LAYERS, 2)), 'dropout_rate': 0.0, 'split_rngs': False, # All experts share initialization. 'router': { 'num_selected_experts': NUM_SELECTED_EXPERTS, 'noise_std': 1.0, # This is divided by NUM_EXPERTS. 'importance_loss_weight': 0.005, 'load_loss_weight': 0.005, 'dispatcher': { 'name': 'einsum', 'bfloat16': True, 'capacity': CAPACITY, # This is used to hint pjit about how data is distributed # at the input/output of each MoE layer. # This value means that the tokens are partitioned across # all devices in the mesh (i.e. fully data parallelism). 'partition_spec': (('expert', 'replica'),), # We don't use batch priority for training/fine-tuning. 'batch_priority': False, }, }, }, }, }) config.optimizer = ml_collections.ConfigDict({ 'name': 'sgd', 'momentum': 0.9, 'accumulator_dtype': 'float32', 'learning_rate': { 'schedule': 'warmup_cosine_decay', 'peak_value': 0.0015, 'end_value': 1e-5, 'warmup_steps': 100, }, 'gradient_clip': {'global_norm': 10.0}, }) # These control how the model parameters are partitioned across the device # mesh for running the models efficiently. # By setting num_expert_partitions = num_experts, we set at most one expert on # each device. config.num_expert_partitions = config.model.encoder.moe.num_experts # This value specifies that the first axis of all parameters in the MLPs of # MoE layers (which has size num_experts) is partitioned across the 'expert' # axis of the device mesh. config.params_axis_resources = [('Moe/Mlp/.*', ('expert',))] config.extra_rng_keys = ('dropout', 'gating') # Write checkpoints every 1000 steps. config.save_checkpoint = ml_collections.ConfigDict() config.save_checkpoint.every_steps = 1_000 config.save_checkpoint.keep_last = 1 config.save_checkpoint.num_shards = 32 # Target number of checkpoint shards. config.save_checkpoint.wait_seconds = 1.0 # Report training progress every minute. config.report_progress = ml_collections.ConfigDict() config.report_progress.every_secs = None config.report_progress.every_steps = 100 # Evaluate on the validation set every 1000 steps. config.evaluate = ml_collections.ConfigDict() config.evaluate.every_steps = 100 # Run device profiling on process_index = 0, for 5 steps, starting at step 10. # Then repeat profiling every hour. config.profile = ml_collections.ConfigDict() config.profile.all_processes = False config.profile.num_profile_steps = 5 config.profile.first_profile = 10 config.profile.every_secs = 3600.0 config.seed = 0 return config def get_data_params(name, split, process, shuffle_buffer, cache): """Returns dataset parameters.""" config = ml_collections.ConfigDict() config.name = name config.split = split config.process = process config.batch_size = BATCH_SIZE config.prefetch = 'autotune' config.prefetch_device = 2 config.data_dir = TFDS_DATA_DIR config.manual_dir = TFDS_MANUAL_DIR if shuffle_buffer: config.shuffle_buffer = shuffle_buffer if cache: config.cache = cache return config def get_hyper(hyper): return hyper.sweep('config.seed', list(range(3)))
google-research/vmoe
vmoe/configs/vmoe_b16_imagenet21k_randaug_strong_ft_cifar10.py
Python
apache-2.0
7,959
[ "MOE" ]
e6e8cfa48bd0ec77b8c731f1671fe94bd101eefd62cec13d76ce0e5d692f51d5
import _gfrd import myrandom import vtk m = _gfrd.Model() S0 = m.new_species_type() S0['D'] = '.01' S0['radius'] = '.01' S0['surface'] = 'default' S1 = m.new_species_type() S1['D'] = '.01' S1['radius'] = '.01' S1['surface'] = 'default' S2 = m.new_species_type() S2['D'] = '.01' S2['radius'] = '.01' S2['surface'] = 'default' colors = { S0.id: (1., 0., 0.), S1.id: (0., 1., 0.), S2.id: (1., 1., 0.), } rr = _gfrd.ReactionRule((S0, S1), (S2, )) rr['k'] = '.01' m.network_rules.add_reaction_rule(rr) nrw = _gfrd.NetworkRulesWrapper(m.network_rules) class MyParticleContainer(_gfrd._ParticleContainer): def __init__(self, world_size): _gfrd._ParticleContainer.__init__(self) self.particles = {} self.surfaces = {} self.species = {} self.pidgen = _gfrd.ParticleIDGenerator(0) self.world_size = world_size def add_surface(self, surface): self.surfaces[surface.id] = surface def add_species(self, species): self.species[species.id] = species def get_surface(self, id): return self.surfaces[id] def get_species(self, id): if isinstance(id, _gfrd.SpeciesType): id = id.id return self.species[id] def new_particle(self, species_id, position): new_pid = self.pidgen() species = self.get_species(species_id) retval = (new_pid, _gfrd.Particle(position, species.radius, species.D, species.id)) self.update_particle(retval) return retval def update_particle(self, pid_particle_pair): self.particles[pid_particle_pair[0]] = pid_particle_pair[1] return False def remove_particle(self, pid): del self.particles[pid] def get_particle(self, pid): p = self.particles.get(pid, None) if p is None: raise NotFound return pid, p def check_overlap(self, sphere, ignores): retval = [] for pp in self.particles.iteritems(): if pp[0] in ignores: continue dist = _gfrd.distance(pp[1].position, sphere.position) - pp[1].radius if dist < sphere.radius: retval.append((pp, dist)) retval.sort(lambda a, b: cmp(a[1], b[1])) return retval def distance(self, x, y): return _gfrd.distance_cyclic(x, y, self.world_size) def apply_boundary(self, x): return _gfrd.apply_boundary(x, self.world_size) def cyclic_transpose(self, x, y): return _gfrd.cyclic_transpose(x, y, self.world_size) def __iter__(self): return self.particles.iteritems() def create_transaction(self): return _gfrd.TransactionImpl(self) w = MyParticleContainer(1.0) region = _gfrd._CuboidalRegion("default", _gfrd.Box((.5, .5, .5), (1., 0., 0.), (0., 1., 0.), (0., 0., 1.), 1., 1., .1)) w.add_surface(region) for s in [S0, S1, S2]: w.add_species(_gfrd.SpeciesInfo(s.id, float(s['D']), float(s['radius']), s['surface'])) for i in xrange(0, 300): w.new_particle([S0, S1][i % 2], [myrandom.uniform(), myrandom.uniform(), myrandom.uniform()]) wn = vtk.vtkRenderWindow() int = wn.MakeRenderWindowInteractor() int.Initialize() int.SetRenderWindow(wn) r = vtk.vtkRenderer() wn.AddRenderer(r) actors = {} def create_actor(pp): s = vtk.vtkSphereSource() s.SetRadius(pp[1].radius) s.SetCenter(pp[1].position) m = vtk.vtkPolyDataMapper() m.SetInput(s.GetOutput()) a = vtk.vtkActor() a.GetProperty().SetColor(colors[pp[1].sid]) a.SetMapper(m) r.AddActor(a) actors[pp[0]] = (s, a) def update_actor(pp): actors[pp[0]][0].SetCenter(pp[1].position) def remove_actor(pp): r.RemoveActor(actors[pp[0]][1]) del actors[pp[0]] for pp in w: create_actor(pp) anim = [] def callback(*arg): t = w.create_transaction() particle_id_list = [pair[0] for pair in w] propagator = _gfrd._BDPropagator(w, t, nrw, myrandom.rng, 1e-3, 100, particle_id_list) propagator.propagate_all() for pp in t.added_particles: create_actor(pp) s = vtk.vtkSphereSource() s.SetCenter(pp[1].position) s.SetRadius(.01) m = vtk.vtkPolyDataMapper() m.SetInput(s.GetOutput()) a = vtk.vtkActor() a.GetProperty().SetColor((1., 1., 1.)) a.GetProperty().SetOpacity(.2) a.SetMapper(m) r.AddActor(a) anim.append((1, s, a)) for pp in t.removed_particles: remove_actor(pp) for pp in t.modified_particles: update_actor(pp) l = len(anim) j = 0 while j < l: i, s, a = anim[j] if i >= 4: r.RemoveActor(a) del anim[j] l -= 1 continue s.SetRadius(0.04 * i) a.GetProperty().SetOpacity(.3 - .05 * i) anim[j] = (i + 1, s, a) j += 1 wn.Render() del t int.CreateRepeatingTimer(100) int.AddObserver('TimerEvent', callback, .0) int.Start()
gfrd/egfrd
samples/bd_propagator/test2.py
Python
gpl-2.0
4,991
[ "VTK" ]
36d0fb4e78594f5f327281371f557ad7eac032ead8c7d38e8cfd639698b959d7
#! /usr/bin/env python """Unit tests for landlab.io.netcdf module.""" import pytest from numpy.testing import assert_array_equal from landlab import RasterModelGrid from landlab.io import ( MismatchGridDataSizeError, MismatchGridXYLowerLeft, MismatchGridXYSpacing, ) from landlab.io.netcdf import read_netcdf grid_mapping_keys = [ "grid_mapping_name", "longitude_of_central_meridian", "false_easting", "false_northing", "latitude_of_projection_origin", "scale_factor_at_central_meridian", "long_name", "longitude_of_prime_meridian", "semi_major_axis", "inverse_flattening", "spatial_ref", "GeoTransform", ] def test_read_netcdf(datadir): grid = read_netcdf(datadir / "test-netcdf4.nc") assert grid.shape == (4, 3) assert grid.dy, grid.dx == (1.0, 1.0) assert list(grid.at_node.keys()) == ["surface__elevation"] assert_array_equal( grid.at_node["surface__elevation"], [0.0, 1.0, 2.0, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0, 9.0, 10.0, 11.0], ) def test_read_netcdf_64bit(datadir): grid = read_netcdf(datadir / "test-netcdf3-64bit.nc") assert grid.shape == (4, 3) assert grid.dy, grid.dx == (1.0, 1.0) grid = RasterModelGrid((6, 5), xy_of_lower_left=(-1.0, -1.0)) grid = read_netcdf(datadir / "test-netcdf4.nc", grid=grid, halo=1, nodata_value=-1) assert_array_equal( grid.at_node["surface__elevation"].reshape(grid.shape), [ [-1.0, -1.0, -1.0, -1.0, -1.0], [-1.0, 0.0, 1.0, 2.0, -1.0], [-1.0, 3.0, 4.0, 5.0, -1.0], [-1.0, 6.0, 7.0, 8.0, -1.0], [-1.0, 9.0, 10.0, 11.0, -1.0], [-1.0, -1.0, -1.0, -1.0, -1.0], ], ) def test_read_netcdf4_bad_field_name(datadir): with pytest.raises(ValueError): read_netcdf(datadir / "test-netcdf4.nc", name="not_surface__elevation") def test_read_netcdf3_64bit(datadir): """Test read_netcdf for with 64-bit netcdf3 format.""" grid = read_netcdf(datadir / "test-netcdf3-64bit.nc") assert grid.shape == (4, 3) def test_read_netcdf4(datadir): """Test read_netcdf with netcdf4 format.""" grid = read_netcdf(datadir / "test-netcdf4.nc") assert grid.shape == (4, 3) grid = read_netcdf(datadir / "test-netcdf4.nc") assert grid.shape == (4, 3) def test_bad_data_size(datadir): """Test read_netcdf with netcdf4 format.""" grid = RasterModelGrid((10, 10)) with pytest.raises(MismatchGridDataSizeError): read_netcdf(datadir / "test-netcdf4.nc", grid=grid) def test_bad_dx(datadir): """Test read_netcdf with netcdf4 format.""" grid = RasterModelGrid((4, 3), xy_spacing=10) with pytest.raises(MismatchGridXYSpacing): read_netcdf(datadir / "test-netcdf4.nc", grid=grid) def test_bad_llc(datadir): """Test read_netcdf with netcdf4 format.""" grid = RasterModelGrid((4, 3), xy_of_lower_left=(-1, -2)) with pytest.raises(MismatchGridXYLowerLeft): read_netcdf(datadir / "test-netcdf4.nc", grid=grid)
cmshobe/landlab
tests/io/netcdf/test_read_netcdf.py
Python
mit
3,051
[ "NetCDF" ]
c631fd8ad9d1a79b11d8f15d764df36ed757980facf14adc99a06a73fdef6b26
import unittest from octopus.server.orientdb.orientdb_shell_mananger import OrientDBShellManager class TestOrientDBShellManager(unittest.TestCase): def testUnreachableServer(self): self.hostname = 'localhost' self.port = '1337' shell_manager = OrientDBShellManager(self.hostname, self.port) shells = shell_manager.list() self.assertRaises(ConnectionRefusedError, list, shells)
octopus-platform/bjoern
python/octopus-tools/tests/orientdb_shell_manager.py
Python
gpl-3.0
425
[ "Octopus" ]
1be933db8cc7ae8b7d4a158f19ea9e3b673d368b5738ec482f5736ce95ba0771
# coding=utf-8 from unittest import TestCase from gputils.gptransformer import GooglePlayParsedResponseTransformer from json2html import * class TestTransforming(TestCase): __PARSED_RESPONSE = '[<div class=\"review-body\"> <span class=\"review-title\">Galaxy S5</span> Paro de funcionar novamente no Estado do Parana <div class=\"review-link\" style=\"display:none\"> <a class=\"id-no-nav play-button tiny\" href=\"#\" target=\"_blank\">Resenha completa</a> </div> </div>]' __EXPECTED_JSON = u'{\n "reviews": [\n {\n "review": "Galaxy S5 Paro de funcionar novamente no Estado do Parana "\n }\n ]\n}' __EXPECTED_HTML = u'<table border="1"><tr><th>reviews</th><td><ul><li><table border="1"><tr><th>review</th><td>Galaxy S5 Paro de funcionar novamente no Estado do Parana </td></tr></table></li></ul></td></tr></table>' def test_can_transform_parsed_content_into_json_formatted_output(self): """ Should be able to transform parsed content to a json formatted string Hint: If this fails there are chances that google changed the html response structure. """ transformer = GooglePlayParsedResponseTransformer(self.__PARSED_RESPONSE) json = transformer.transform() self.assertEqual(json, self.__EXPECTED_JSON) def test_can_output_content_as_html(self): """ Should be able to transform a json transformed content into html content """ transformer = GooglePlayParsedResponseTransformer(self.__PARSED_RESPONSE) json = transformer.transform() json = json2html.convert(json = json) self.assertEqual(json, self.__EXPECTED_HTML)
jcfausto/gpscrapper
specs/test_transforming.py
Python
mit
1,686
[ "Galaxy" ]
3066edc496b3b035b6736da87cb53a4d2e916edaef9c44f0adc963cff89a1074
from parsimonious.grammar import Grammar from parsimonious.nodes import NodeVisitor import textwrap from string import Template import re import sys class MarkupParser(NodeVisitor): def __init__(self, text): grammar = """ main = meta? ( nix / markup )* newline = ~"[\\n\\s]"+ meta = newline? meta_open meta_content meta_close meta_open = "{---" meta_content = ((!meta_close (~".+" / ~"\\n"))+) meta_close = "---}" markup = (!nix ( esc_nix_open / ~"\{{3,}" / ~"."s ))+ esc_nix_open = "\\{{" esc_nix_close = "\\}}" nix = nix_open nix_content nix_close nix_open = "{{" !"{" nix_content = ( nix / nix_expr )* nix_expr = !nix_open !nix_close (esc_nix_close / ~"."s) nix_close = "}}" """ ast = Grammar(grammar).parse(text) self.meta = ""; self.markup = ""; self.result = self.visit(ast) def visit_main(self, node, children): return "".join(filter(lambda x: x != None, children)) def visit_meta(self, node, children): self.meta = "".join(filter(lambda x: x != None, children)) return "" def visit_newline(self, node, children): return node.text def visit_meta_open(self, node, children): return "" def visit_meta_close(self, node, children): return "" def visit_meta_content(self, node, children): return node.text def visit_nix(self, node, children): return "".join(children) def visit_nix_open(self, node, children): return "${" def visit_nix_close(self, node, children): return "}" def visit_nix_content(self, node, children): return "".join(children) def visit_nix_expr(self, node, children): return node.text.replace("\}}", "}}") def visit_markup(self, node, children): return node.text.replace("''", "'''").replace("\{{", "{{").replace("${", "''${") def generic_visit(self, node, children): return "".join(filter(lambda x: x != None, children)) def processNixText (text): # escaping intro sep text = text.replace("\>>>", ">>>") # escaping page sep text = text.replace("\<<<", "<<<") return text def toNix (meta, markup): intro_match = markup.split("\n>>>\n") if len(intro_match) > 1: intro = "intro = ''" + processNixText(intro_match[0]) + "'';" content = intro_match[1] else: intro = ""; content = intro_match[0] pages_match = content.split("\n<<<\n") if len(pages_match) > 1: pages = "pages = [ ''" + "''\n''".join( map(lambda x: processNixText(x), pages_match )) + "'' ];" content = "" else: pages = ""; content = "content = ''" + processNixText(content) + "'';" template = Template( textwrap.dedent(""" env: let meta = rec { $meta }; in with env; ({ $meta $content $intro $pages } // meta) """)) return template.safe_substitute( meta = processNixText(meta) , intro = intro , content = content , pages = pages ) text = sys.stdin.read() m = MarkupParser(text) print (toNix (m.meta, m.result))
styx-static/styx
src/tools/parser.py
Python
mit
3,364
[ "VisIt" ]
aefffc8a95e38db7491c52d277befe1b08aac7e163f3fa9eaca472c2d2ad99f9
import os.path from subprocess import check_call, CalledProcessError import shutil from tempfile import NamedTemporaryFile import sys import pysam from crumbs.bam.flag import create_flag from crumbs.settings import get_setting from crumbs.utils.bin_utils import get_num_threads # pylint: disable=C0111 def filter_bam(in_fpath, out_fpath, min_mapq=0, required_flag_tags=None, filtering_flag_tags=None, regions=None): cmd = ['-bh'] # The following line: cmd.append('-o' + out_fpath) # should be # cmd.extend(['-o', out_fpath]) # but it is a workaround, take a look at: # https://groups.google.com/forum/#!msg/pysam-user-group/ooHgIiNVe4c/CcY06d45rzQJ if min_mapq: cmd.extend(['-q', str(min_mapq)]) if required_flag_tags: flag = create_flag(required_flag_tags) cmd.extend(['-f', str(flag)]) if filtering_flag_tags: flag = create_flag(filtering_flag_tags) cmd.extend(['-F', str(flag)]) cmd.extend([in_fpath]) if regions: regions = ['{0}:{1}-{2}'.format(*s) for s in regions.segments] cmd.extend(regions) pysam.view(*cmd) def sort_bam(in_bam_fpath, out_bam_fpath=None): if out_bam_fpath is None: out_bam_fpath = in_bam_fpath if out_bam_fpath == in_bam_fpath: sorted_fhand = NamedTemporaryFile(suffix='.sorted.bam', delete=False) temp_out_fpath = sorted_fhand.name else: temp_out_fpath = out_bam_fpath picard_jar = get_setting("PICARD_JAR") cmd = ['java', '-jar', picard_jar, 'SortSam', 'INPUT={0}'.format(in_bam_fpath), 'OUTPUT={0}'.format(temp_out_fpath), 'SORT_ORDER=coordinate', 'VALIDATION_STRINGENCY=LENIENT'] stderr = NamedTemporaryFile(suffix='picard.stderr') check_call(cmd, stderr=stderr) if temp_out_fpath != out_bam_fpath: shutil.move(temp_out_fpath, out_bam_fpath) def index_bam(bam_fpath): 'It indexes a bam file' pysam.index(bam_fpath) def _create_sam_reference_index(fpath): 'It creates a sam index for a reference sequence file' index_fpath = fpath + '.fai' if os.path.exists(index_fpath): return pysam.faidx(fpath) def _create_picard_dict(fpath): 'It creates a picard dict if if it does not exist' dict_path = os.path.splitext(fpath)[0] + '.dict' if os.path.exists(dict_path): return picard_jar = get_setting("PICARD_JAR") cmd = ['java', '-jar', picard_jar, 'CreateSequenceDictionary', 'R=%s' % fpath, 'O=%s' % dict_path] stderr = NamedTemporaryFile(suffix='picard.stderr') check_call(cmd, stderr=stderr) def realign_bam(in_bam_fpath, reference_fpath, out_bam_fpath=None): if out_bam_fpath is None: out_bam_fpath = in_bam_fpath if out_bam_fpath == in_bam_fpath: realigned_fhand = NamedTemporaryFile(suffix='.realigned.bam', delete=False) temp_out_fpath = realigned_fhand.name else: temp_out_fpath = out_bam_fpath _realign_bam(in_bam_fpath, reference_fpath, temp_out_fpath, threads=False) sort_bam(temp_out_fpath) if temp_out_fpath != out_bam_fpath: shutil.move(temp_out_fpath, out_bam_fpath) def _realign_bam(bam_fpath, reference_fpath, out_bam_fpath, threads=False): 'It realigns the bam using GATK Local realignment around indels' # reference sam index _create_sam_reference_index(reference_fpath) # reference picard dict _create_picard_dict(reference_fpath) # bam index index_bam(bam_fpath) # the intervals to realign # gatk_dir = get_setting("GATK_DIR") # gatk_jar = os.path.join(gatk_dir, 'GenomeAnalysisTK.jar') gatk_jar = get_setting('GATK_JAR') intervals_fhand = NamedTemporaryFile(suffix='.intervals') stderr = NamedTemporaryFile(suffix='picard.stderr') stdout = NamedTemporaryFile(suffix='picard.stdout') cmd = ['java', '-jar', gatk_jar, '-T', 'RealignerTargetCreator', '-I', bam_fpath, '-R', reference_fpath, '-o', intervals_fhand.name] check_call(cmd, stderr=stderr, stdout=stdout) # the realignment itself cmd = ['java', '-jar', gatk_jar, '-I', bam_fpath, '-R', reference_fpath, '-T', 'IndelRealigner', '-targetIntervals', intervals_fhand.name, '-o', out_bam_fpath] if threads and threads > 1: cmd.extend(['-nt', str(get_num_threads(threads))]) check_call(cmd, stderr=stderr, stdout=stdout) intervals_fhand.close() def calmd_bam(in_bam_fpath, reference_fpath, out_bam_fpath=None): if out_bam_fpath is None: out_bam_fpath = in_bam_fpath if out_bam_fpath == in_bam_fpath: realigned_fhand = NamedTemporaryFile(suffix='.realigned.bam', delete=False) temp_out_fpath = realigned_fhand.name else: temp_out_fpath = out_bam_fpath _calmd_bam(in_bam_fpath, reference_fpath, temp_out_fpath) if temp_out_fpath != out_bam_fpath: shutil.move(temp_out_fpath, out_bam_fpath) def _calmd_bam(bam_fpath, reference_fpath, out_bam_fpath): out_fhand = open(out_bam_fpath, 'wb') for line in pysam.calmd(*["-bAr", bam_fpath, reference_fpath]): out_fhand.write(line) # out_fhand.write(pysam.calmd(*["-bAr", bam_fpath, reference_fpath])) out_fhand.flush() out_fhand.close() def merge_sams(in_fpaths, out_fpath): picard_jar = get_setting("PICARD_JAR") cmd = ['java', '-jar', picard_jar, 'MergeSamFiles', 'O={}'.format(out_fpath)] for in_fpath in in_fpaths: cmd.append('I={}'.format(in_fpath)) stderr = NamedTemporaryFile(suffix='picard.stderr') stdout = NamedTemporaryFile(suffix='picard.stdout') try: check_call(cmd, stderr=stderr, stdout=stdout) except CalledProcessError: sys.stderr.write(open(stderr.name).read()) sys.stdout.write(open(stdout.name).read())
JoseBlanca/seq_crumbs
crumbs/bam/bam_tools.py
Python
gpl-3.0
5,962
[ "pysam" ]
4ee14e6698a53c8d7c7acd9e7b91702c5e8ee0fa38d410995462541d3cdbba58
"""bayesian_network.py The purpose of this model is to assist with the construction of Bayesian Networks designed for modeling the effects of a molecular mechanism. The goal is to learn about this molecular mechanism by analysing the evidence that we have. We can then perform a genome wide association compariang genotype with the combined evidence of the molecular mechanism. The principal assumption behind this method is that there is a molecular mechanism whose effects are observed across multiple phenotypes. Here is an example network: X1 --> X2 --> X3 --> X6 X2 --> X4 --> X3 X2 --> X5 X1 = Genotype X2 = Molecular Mechanism X3,X4,X5,X6 are pheontypes summarizing the disease Goal: Learn X2 using the information in X3,X4,X5,X6 using Hard Expectation Maximiztion Note: PCA will give similar results for Gaussian Networks without interactions Features -------- * Supports Linear Gaussian Nodes, Negative Binomial, Sigmoid, and categorical nodes * Hard EM Algorithm for learning single latent (Currently it is limited to a Bernoulli Random Variable) Example ------- """ from scipy.misc import logsumexp from scipy.stats import bernoulli from scipy.stats import uniform from scipy.stats import norm from scipy.stats import binom import pandas as pd import math import random import numpy as np import scipy.stats as stats import matplotlib.mlab as mlab import matplotlib.pyplot as plt from sklearn import datasets, linear_model from helpers import all_true from helpers import find_max_key_val_in_dict from helpers import sigmoid from helpers import logistic from helpers import p_neg_binom from helpers import r_neg_binom from helpers import fit_neg_binom import sklearn.linear_model as model from scipy.stats import bernoulli from statsmodels.discrete.discrete_model import NegativeBinomial as nb_glm class BayesianNetwork: def __init__(self): pass def set_nodes(self,nodes): """ set the nodes for this network * all nodes have to have a distinct name * at most 1 latent node is allowed """ assert type(nodes) == list #validate that all are nodes and all names are distinct num_is_latent = 0 names = {} latent_node = None for node in nodes: assert isinstance(node,_Node) assert node.name != "prob" if node.is_latent: latent_node = node num_is_latent += 1 assert not names.has_key(node.name), "Duplicate name: {0}".format(node.name) names[node.name] = 1 assert num_is_latent <= 1, "Only one latent node allowed" #compute topological sort self.__dfs__(nodes) assert self.nodes is not None self.latent_node = latent_node self.set_has_latent_descendant() def set_has_latent_descendant(self): """ loop through the parents of the latent node if it exists mark each parent as having a latent ancestor mark any ancestors of these parents """ assert self.nodes is not None if self.latent_node is not None: for parent in self.latent_node.parents: self.mark_has_latent_descendant(parent) def mark_has_latent_descendant(self,node): assert node is not None node.set_has_latent_descendant() for parent in node.parents: self.mark_has_latent_descendant(parent) def __dfs__(self,nodes): for node in nodes: node.tmp_mark = False node.perm_mark = False self.nodes = [] for node in nodes: if not node.tmp_mark and not node.perm_mark: self.__visit__(node) def __visit__(self,node): if node.tmp_mark: raise Exception("Not a DAG") if not node.tmp_mark and not node.perm_mark: node.tmp_mark = True for child in node.children: self.__visit__(child) node.perm_mark = True node.tmp_mark = False self.nodes.insert(0,node) def print_network(self): assert self.nodes is not None, "Please set the nodes of the network" for node in self.nodes: print str(node) #forward sample def forward_sample(self, n=1): assert self.nodes is not None sample = None for i in range(0,n): s = dict() for node in self.nodes: par_dict = dict() for parent in node.parents: par_dict[parent.name] = [ s[parent.name] ] s[node.name] = node.simulate(par_dict) if sample is None: sample = dict() for key,value in s.iteritems(): sample[key] = list() sample[key].append(value) else: for key,value in s.iteritems(): sample[key].append(value) return pd.DataFrame(sample) #mle learning def mle(self,data): assert self.nodes is not None assert type(data) == pd.DataFrame for node in self.nodes: node.mle(data) #compute joint probability def joint_prob(self,dict_vals,log=True): assert self.nodes is not None log_joint = 0.0 for node in self.nodes: #print "joint " + str(node) log_joint += node.prob(dict_vals,log=True) if log: return log_joint else: return np.exp(log_joint) def complete_data_log_likelihood(self,data): assert self.nodes is not None assert type(data) == pd.DataFrame llh = 0.0 for index,row in data.iterrows(): llh += self.joint_prob(row.to_dict()) return llh #perform hard expectation maximization #only support binary for time being #will consider mcmc for normal def hard_em(self,data,max_iter=100,initialization_func=None): assert self.latent_node is not None assert self.nodes is not None assert type(data) == pd.DataFrame #only allow this algorithm when the latent node has no parents assert len(self.latent_node.parents) == 0 if initialization_func is not None: #apply initialization function to the data pass #assume data has been completed already as the initialization is application specific #mle of parameters to get initial parameters num_iter = 1 self.mle(data) previous_llh = -np.inf current_llh = self.complete_data_log_likelihood(data) llhs = [current_llh] while True: print "Iteration: {0}".format(num_iter) print "Previous LLH: {0}".format(previous_llh) print "Current LLH: {0}".format(current_llh) #hard e step self.__hard_e_step__(data) #hard m step self.mle(data) previous_llh = current_llh current_llh = self.complete_data_log_likelihood(data) num_iter += 1 llhs.append(current_llh) #if our log likelihood does not improve then if current_llh <= previous_llh: break return { "num_iter": num_iter, "llhs": llhs } def __prob_x_given_others__(self,dict_data,target = None): """ Computes the log conditional probability of each value from the target variable given all other variables. Return: dictionary [value] --> log prob * assumes all other variables have been specified """ if target is None: target = self.latent_node #check that all variables have been specified for node in self.nodes: if node is not target: assert dict_data.has_key(node.name) old_x = dict_data[target.name] log_probs = list() log_joint_prob_dict = dict() #compute joint probs for x_val in target.values: dict_data[target.name] = x_val log_joint_prob = self.joint_prob(dict_data) log_probs.append(log_joint_prob) #print "log_joint_prob: {0}".format(log_joint_prob) #print "x_val: {0}".format(x_val) #print "log_joint_prob: {0}".format(log_joint_prob) log_joint_prob_dict[x_val] = log_joint_prob #normalize joint probs normalizer = logsumexp(log_probs) log_cond_prob = dict() for x_val,log_joint_prob in log_joint_prob_dict.iteritems(): log_conditional_prob = log_joint_prob - normalizer log_cond_prob[x_val] = log_conditional_prob #reset input dictionary dict_data[target.name] = old_x return log_cond_prob def __hard_e_step__(self,data): """ loop through each row of the data compute the prob of each value of latent variable assign each rows value to be the MAP estimator (value with maximum probability: mode) """ assert self.latent_node is not None assert self.latent_node.num_vals == 2 for index,row in data.iterrows(): log_cond_probs = self.__prob_x_given_others__(row.to_dict()) max_val,max_log_prob = find_max_key_val_in_dict(log_cond_probs) #assign the row to be the value with the maximum probability data.set_value(index,self.latent_node.name,max_val) #row[self.latent_node.name] = max_val #Note that the underscore makes this class private class _Node: """ All children must provide an implementation for: set_params, mle, simulate, prob """ def __init__(self,name): self.type = "Node" self.name = name self.params = None self.children = [] self.parents = [] self.parent_names = {} self.children_names = {} self.limits = [] #Current specification will only allow 1 node to be latent #Learning will be used ONLY children of this Node self.is_latent = False self.has_latent_descendant = False def set_is_latent(self): self.is_latent = True def set_has_latent_descendant(self): self.has_latent_descendant = True def set_params(self,params): assert params is not None self.params = params def get_params(self): return self.params def is_root(self): return len(self.parents) == 0 def is_leaf(self): return len(self.children) == 0 def add_parent(self,parent): assert isinstance(parent,_Node) #add the parent to this node's parents #add this node to the parent's children self.parents.append(parent) self.parent_names[parent.name] = None parent.children.append(self) parent.children_names[self.name] = None def add_child(self,child): assert isinstance(child,_Node) #add the child to this node's children #add this node to the childs's parents self.children.append(child) self.children_names[child.name] = None child.parents.append(self) child.parent_names[self.name] = None def __str__(self): return "Name: {0}, is_latent: {1}, Children: {2}".format(self.name, self.is_latent,str(self.children_names.keys())) def mle(self): raise Exception("Not supported") def prob(self,dict_vals,log=True): #make sure data has been input correctly assert self.params is not None assert dict_vals.has_key(self.name) for parent_name in self.parent_names.keys(): assert dict_vals.has_key(parent_name) def simulate(self,parent_vals=None): assert type(parent_vals) is dict for key,val in parent_vals.iteritems(): assert self.parent_names.has_key(key) class DiscreteNode(_Node): def __init__(self,name,values): assert name is not None assert type(values) is list assert len(values) > 1 _Node.__init__(self,name) # The number of values the discrete variable takes on self.num_vals = len(values) self.values = values def add_parent(self,parent): assert isinstance(parent,DiscreteNode) _Node.add_parent(self,parent) def set_params(self,params_df): """params_df are a pandas dataframe must contain all the parents and itself in columns and an additional column for prob """ assert isinstance(params_df,pd.DataFrame) assert params_df.shape[1] == 2 + len(self.parents) assert self.name in params_df.columns assert "prob" in params_df.columns num_vals_in_df = self.num_vals for parent in self.parents: assert parent.name in params_df.columns num_vals_in_df *= parent.num_vals #make sure the number of rows are correct assert num_vals_in_df == params_df.shape[0] #make sure that when we sum across the values of self #that they sum to 1 parent_names = self.parent_names.keys() if len(parent_names) > 0: for p in params_df.groupby(parent_names).sum()['prob']: np.testing.assert_almost_equal(p,1.0) else: np.testing.assert_almost_equal(params_df['prob'].sum(),1.0) _Node.set_params(self,params_df) assert isinstance(self.params,pd.DataFrame) def prob(self,dict_vals,log=True): _Node.prob(self,dict_vals) #find the matching probability prob = None for index,row in self.params.iterrows(): keep = True value = dict_vals[self.name] if row[self.name] != value: keep = False if keep: for variable in self.parent_names.keys(): value = dict_vals[variable] if row[variable] != value: #print "Row" + str(row) #print variable #print value keep = False break if keep: prob = row["prob"] #we found a match so break break assert prob is not None if log: return np.log(prob) else: return prob #TODO: Need to update this routine to account for unobserved events # this does not work in those cases def mle(self,data): assert type(data) is pd.DataFrame parent_names = self.parent_names.keys() parent_names_and_self = [self.name] parent_names_and_self.extend(parent_names) #verify that the data fram contains the columns that we need assert len(data.columns.intersection(parent_names_and_self)) == len(parent_names) + 1 #get columns of interest data_sub = data[parent_names_and_self] #TODO: check that the ranges match assert len(parent_names_and_self) > 0 if len(parent_names_and_self) == 1: vals_count_dict = dict() list_of_vals_in_df = [x for x in data_sub[self.name]] #print list_of_vals_in_df #initialize dictionary for self_val in self.values: vals_count_dict[self_val] = 0.0 #count observations total = 0.0 for val in list_of_vals_in_df: assert vals_count_dict.has_key(val) vals_count_dict[val] += 1.0 total += 1.0 #create param_dict param_dict = dict() param_dict["prob"] = [] param_dict[self.name] = [] for key,val in vals_count_dict.iteritems(): param_dict["prob"].append(val/total) param_dict[self.name].append(key) #create params dataframe params = pd.DataFrame(param_dict) self.set_params(params) else: #group by the parents df_parents_groups = data_sub.groupby(parent_names) params_res = dict() #initialize params_res["prob"] = list() for name in parent_names_and_self: params_res[name] = list() for group in df_parents_groups: parent_vals = group[0] print "parent_vals: {0}".format(parent_vals) if len(self.parents) > 1: assert len(parent_vals) == len(parent_names) else: parent_vals = [parent_vals] g_value = group[1] counts = g_value.groupby([self.name]).count()[parent_names[0]] freqs = counts / counts.sum() #insert child and parent vals into dict results for self_val in self.values: self_prob = freqs.get(self_val) params_res["prob"].append(self_prob) params_res[self.name].append(self_val) #insert parent values for index in range(0,len(parent_names)): par_name = parent_names[index] par_val = parent_vals[index] params_res[par_name].append(par_val) params = pd.DataFrame(params_res) ### # Add back missing params # enumerate all param combos # check ### self.set_params(params) def simulate(self,parents_vals=None): #print parents_vals if len(self.parent_names) > 0: #make sure input is correct assert type(parents_vals) is dict for parent_name,val in parents_vals.iteritems(): assert self.parent_names.has_key(parent_name) assert type(val) is list assert len(val) == 1 else: parents_vals = dict() parents_vals[self.name] = self.values assert parents_vals is not None #subset data frame to only include parents (or only itself if is a root node) df_tmp_1 = self.params[parents_vals.keys()] #match rows to parent values df_tmp_2 = df_tmp_1.isin(parents_vals) #create a logical index for those rows ind = df_tmp_2.apply(all_true,axis=1) #subset the parameter data frame to find matching event matching_events = self.params.loc[ind] assert matching_events.shape[0] == self.num_vals, "Not enough events specified for {0}".format(str(self.params)) #get the probabilites for those indices probs = matching_events['prob'].tolist() #random sample and get the index in the dataframe for that probability random_index = (np.random.multinomial(1,probs,size=1) == 1).tolist()[0] #get the value of this variable that that index corresponds to simulated_val = self.params.loc[ind][self.name].loc[random_index].iloc[0] return simulated_val class SigmoidNode(_Node): # TODO: override set_params, mle, simulate, prob def __init__(self,name,values): assert name is not None assert 0 in values assert 1 in values _Node.__init__(self,name) # The number of values the discrete variable takes on self.num_vals = len(values) self.values = values def set_params(self,params): """ params are a list first param is intercept all others are betas corresponding to each parent """ assert params is not None assert type(params) is list assert len(params) == len(self.parents) + 1 _Node.set_params(self,params) def prob(self,dict_vals,log=True,index=0): #check that dictionary has all values needed for calculation _Node.prob(self,dict_vals) val_of_node = dict_vals[self.name] assert val_of_node is 0 or val_of_node is 1 vals = [1] for par in self.parents: par_val = dict_vals[par.name] if type(par_val) is list: vals.append(par_val[index]) else: vals.append(par_val) linear_comb = np.inner(self.params,vals) p_val_is_1 = sigmoid(linear_comb) p_val_of_node = None if val_of_node == 1: p_val_of_node = p_val_is_1 elif val_of_node == 0: p_val_of_node = 1 - p_val_is_1 else: raise("Error: Node: {0}, Value: {1} Not supported".format(self.name,val_of_node)) if log: return np.log(p_val_of_node) else: return p_val_of_node def simulate(self,parent_vals=None): #perform assumption checking _Node.simulate(self,parent_vals) parent_vals_copy = parent_vals.copy() parent_vals_copy[self.name] = 1 p_1 = self.prob(parent_vals_copy,log=False) return bernoulli.rvs(p_1, size=1)[0] def mle(self,data): assert type(data) is pd.DataFrame parent_names = [] for par in self.parents: assert par.name in data.columns parent_names.append(par.name) #get columns of interest data_sub = data[parent_names].values response = data[self.name].values if len(self.parents) > 0: glm = model.LogisticRegression(C=10 ** 12) glm.fit(X=data_sub,y=response) params = [] params.append(glm.intercept_[0]) for beta in glm.coef_[0]: params.append(beta) SigmoidNode.set_params(self,params) else: X = [ ] y = [ ] for v in response.tolist(): X.append([1]) y.append(v) glm = model.LogisticRegression(fit_intercept=False,C=10 ** 12) glm.fit(X=X,y=y) params = [] params.append(np.float(glm.coef_[0])) #print params SigmoidNode.set_params(self,params) class ParentNode(): """ Class for nodes without children has some common functions for these types of nodes """ def add_parent(self): raise Exception("{0} cannot have parents".format(type(self))) def prob_easy(self,val,log=False): vals_dict = {} vals_dict[self.name] = val return self.prob( vals_dict,log) class BinaryNode(SigmoidNode,ParentNode): """ This class is a binary parent node that functions similarly to discrete node but it uses a sigmoid node for its implementation """ def __init__(self,name): SigmoidNode.__init__(self,name,[0,1]) def set_params(self,p): assert type(p) is np.float #inverse sigmoid function (logistic function) intercept = - np.log(1/p - 1) SigmoidNode.set_params(self,[intercept]) class LinearGaussianNode(_Node): def __init__(self,name): _Node.__init__(self,name) def set_tolerance(self,tol): assert tol is not None assert type(tol) is np.float self.tol = tol def set_params(self,params,std_dev): """ params are a list first param is intercept all others are betas corresponding to each parent std_dev is a separate parameter for the normal distribution """ assert params is not None assert std_dev is not None assert type(params) is list assert len(params) == len(self.parents) + 1 _Node.set_params(self,params) self.std_dev = np.float(std_dev) def get_params(self): return (self.params,self.std_dev) def prob(self,dict_vals,log=True,index=0): #check that dictionary has all values needed for calculation _Node.prob(self,dict_vals) val_of_node = dict_vals[self.name] vals = [1] for par in self.parents: par_val = dict_vals[par.name] if type(par_val) is list: vals.append(par_val[index]) else: vals.append(par_val) #mean linear_comb = np.inner(self.params,vals) """ normal distribution density function can give positive values if the standard deviation is less than 1/sqrt(2 * p) we can address this is three ways (1) Compute the probability of a particular value x as normal_cdf(x + tolerance) - normal_cdf(x - tolerance). (Initially I was thinking of using a tolerance of std_dev/2) #https://en.wikipedia.org/wiki/List_of_logarithmic_identities (2) Standardize the input variables so that the distribution follows a standard normal. (3) Throw an error if the standard deviation of a normal distribution is less than 1/sqrt(2 * pi) After talking with William this really should not even be and issue """ log_p_val_of_node = norm.logpdf(val_of_node,loc=linear_comb,scale=self.std_dev) if log: return log_p_val_of_node else: return np.exp(log_p_val_of_node) def simulate(self,parent_vals=None,index=0): #perform assumption checking _Node.simulate(self,parent_vals) parent_vals_copy = parent_vals.copy() #collect values vals = [1] for par in self.parents: par_val = parent_vals[par.name] if type(par_val) is list: vals.append(par_val[index]) else: vals.append(par_val) #mean linear_comb = np.inner(self.params,vals) x = norm.rvs(loc=linear_comb,scale=self.std_dev,size=1) return x def mle(self,data): assert type(data) is pd.DataFrame parent_names = [] for par in self.parents: assert par.name in data.columns parent_names.append(par.name) #get columns of interest data_sub = data[parent_names].values response = data[self.name].values #number of predictors + 1 p = len(self.parents) + 1 def std_dev_est(fit_model,X,y): sigma_2 = np.sum((fit_model.predict(X) - y) ** 2) / float(len(y) - p) return np.sqrt(sigma_2) if len(self.parents) > 0: glm = model.LinearRegression() glm.fit(X=data_sub,y=response) params = [] params.append(glm.intercept_) for beta in glm.coef_: params.append(beta) LinearGaussianNode.set_params(self,params,std_dev_est(glm,data_sub,response)) else: X = [ ] y = [ ] for v in response.tolist(): X.append([1]) y.append(v) glm = model.LinearRegression(fit_intercept=False) glm.fit(X=X,y=y) params = [] params.append(np.float(glm.coef_)) #print params LinearGaussianNode.set_params(self,params,std_dev_est(glm,X,y)) class GaussianNode(LinearGaussianNode,ParentNode): """ GaussianNode that serves as a normal distribution parent node it uses a LinearGaussianNode as its implementation """ def __init__(self,name): LinearGaussianNode.__init__(self,name) def set_params(self,mean,std_dev): assert type(mean) is np.float assert type(std_dev) is np.float LinearGaussianNode.set_params(self,[mean],std_dev) class NegativeBinomialNode(_Node): def __init__(self,name): _Node.__init__(self,name) def set_params(self,params,alpha): """ params are a list first param is intercept all others are betas corresponding to each parent alpha is the dispersion parameter """ assert params is not None assert alpha is not None assert type(params) is list assert len(params) == len(self.parents) + 1 _Node.set_params(self,params) self.alpha = np.float(alpha) def prob(self,dict_vals,log=True,index=0): #check that dictionary has all values needed for calculation _Node.prob(self,dict_vals) val_of_node = dict_vals[self.name] vals = [1] for par in self.parents: par_val = dict_vals[par.name] if type(par_val) is list: vals.append(par_val[index]) else: vals.append(par_val) #mean linear_comb = np.inner(self.params,vals) mean = np.exp(linear_comb) log_p_val_of_node = p_neg_binom(val_of_node,alpha=self.alpha,mean=mean,log=True) if log: return log_p_val_of_node else: return np.exp(log_p_val_of_node) def simulate(self,parent_vals=None,index=0): #perform assumption checking _Node.simulate(self,parent_vals) parent_vals_copy = parent_vals.copy() #collect values vals = [1] for par in self.parents: par_val = parent_vals[par.name] if type(par_val) is list: vals.append(par_val[index]) else: vals.append(par_val) #mean linear_comb = np.inner(self.params,vals) mean = np.exp(linear_comb) x = r_neg_binom(alpha=self.alpha,mean=mean,num=1) return x def mle(self,data): assert type(data) is pd.DataFrame parent_names = [] for par in self.parents: assert par.name in data.columns parent_names.append(par.name) #get columns of interest #column order should match parental order data_sub = data[parent_names].values response = data[self.name].values.tolist() if len(self.parents) > 0: #fit neg binomial model X = [ ] y = [ ] for i in range(0,len(response)): x = data_sub[i] x_temp = [1] x_temp.extend(x) yval = np.int(response[i]) X.append(x_temp) y.append(yval) print y[i] print X[i] print len(y) print len(X) res = fit_neg_binom(y,X) params = [] params.extend(res["params"]) alpha = np.float(res["alpha"]) NegativeBinomialNode.set_params(self,params,alpha) else: X = [ ] y = [ ] for v in response: X.append([1]) y.append(v) #fit neg binomial model res = fit_neg_binom(y,X) params = [] params.extend(res["params"]) alpha = np.float(res["alpha"]) NegativeBinomialNode.set_params(self,params,alpha)
christopher-gillies/MultiplePhenotypeAssociationBayesianNetwork
mpabn/bayesian_network.py
Python
mit
25,945
[ "Gaussian" ]
74aa8fa3981d468e9a7027979f0b5291a7ed037d74913818032334e1c228bd9b
__author__ = 'Jason Piper' import imp current_version = imp.load_source('pyDNaseVersion', 'pyDNase/_version.py').__version__ #Unfortunately, we have to ensure that the user has numpy is installed, #as pip is bad at installing numpy and matplotlib at the same time, and just breaks try: import numpy except ImportError: raise ImportError("Due to a quirk with pip, pyDNase requires numpy to be installed before starting setup") try: from setuptools import setup, Extension except ImportError: from distutils.core import setup from distutils.extension import Extension setup( name='pyDNase', version=current_version, description='DNase-seq analysis library', long_description=open('README.rst',"rt").read(), author='Jason Piper', author_email='j.piper@warwick.ac.uk', url='http://jpiper.github.io/pyDNase', license='GPLv3', ext_modules = [Extension("pyDNase.footprinting.fastbinom", ["pyDNase/footprinting/fastbinom.c"])], packages= [ 'pyDNase', 'pyDNase.footprinting', ], install_requires=[ # Note - not enforcing versions for numpy and matplotlib # Only basic functionality is used and the installation of these libraries can be a pain "numpy", #Tested on >=1.5.0 "matplotlib", #Tested on >=1.2 "pysam >= 0.7.5", "clint >= 0.3.2", ], package_data = {'pyDNase':["data/*"]}, scripts=[ "pyDNase/scripts/dnase_average_profile.py", "pyDNase/scripts/dnase_to_javatreeview.py", "pyDNase/scripts/dnase_wig_tracks.py", "pyDNase/scripts/wellington_footprints.py", "pyDNase/scripts/examples/example_footprint_scores.py", "pyDNase/scripts/dnase_to_JSON.py"], test_suite="test", )
simonvh/pyDNase
setup.py
Python
gpl-3.0
1,788
[ "pysam" ]
c80ecf14289201f7b879fbcc9b967ce1b3ad569eb48ceb4009f2bb080e3439e4
#!/usr/bin/env python """ Get the currently defined user data volume quotas Usage: dirac-dms-user-quota [options] Example: $ dirac-dms-user-quota Current quota found to be 0.0 GB """ from __future__ import absolute_import from __future__ import division from __future__ import print_function __RCSID__ = "$Id$" from DIRAC.Core.Base import Script from DIRAC.Core.Utilities.DIRACScript import DIRACScript @DIRACScript() def main(): Script.parseCommandLine(ignoreErrors=False) import DIRAC from DIRAC import gLogger, gConfig from DIRAC.Core.Security.ProxyInfo import getProxyInfo res = getProxyInfo(False, False) if not res['OK']: gLogger.error("Failed to get client proxy information.", res['Message']) DIRAC.exit(2) proxyInfo = res['Value'] username = proxyInfo['username'] try: quota = gConfig.getValue('/Registry/DefaultStorageQuota', 0.) quota = gConfig.getValue('/Registry/Users/%s/Quota' % username, quota) gLogger.notice('Current quota found to be %.1f GB' % quota) DIRAC.exit(0) except Exception as x: gLogger.exception("Failed to convert retrieved quota", '', x) DIRAC.exit(-1) if __name__ == "__main__": main()
yujikato/DIRAC
src/DIRAC/DataManagementSystem/scripts/dirac_dms_user_quota.py
Python
gpl-3.0
1,190
[ "DIRAC" ]
58aa1590271912b794bc46d2a67aded5f69d480336c0a812914e71ebc2a18331
# Copyright 2000-2002 Andrew Dalke. # Copyright 2002-2004 Brad Chapman. # Copyright 2006-2010 by Peter Cock. # All rights reserved. # This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. """Represent a Sequence Record, a sequence with annotation.""" from Bio._py3k import basestring __docformat__ = "restructuredtext en" # Simple markup to show doctests nicely # NEEDS TO BE SYNCH WITH THE REST OF BIOPYTHON AND BIOPERL # In particular, the SeqRecord and BioSQL.BioSeq.DBSeqRecord classes # need to be in sync (this is the BioSQL "Database SeqRecord", see # also BioSQL.BioSeq.DBSeq which is the "Database Seq" class) class _RestrictedDict(dict): """Dict which only allows sequences of given length as values (PRIVATE). This simple subclass of the Python dictionary is used in the SeqRecord object for holding per-letter-annotations. This class is intended to prevent simple errors by only allowing python sequences (e.g. lists, strings and tuples) to be stored, and only if their length matches that expected (the length of the SeqRecord's seq object). It cannot however prevent the entries being edited in situ (for example appending entries to a list). >>> x = _RestrictedDict(5) >>> x["test"] = "hello" >>> x {'test': 'hello'} Adding entries which don't have the expected length are blocked: >>> x["test"] = "hello world" Traceback (most recent call last): ... TypeError: We only allow python sequences (lists, tuples or strings) of length 5. The expected length is stored as a private attribute, >>> x._length 5 In order that the SeqRecord (and other objects using this class) can be pickled, for example for use in the multiprocessing library, we need to be able to pickle the restricted dictionary objects. Using the default protocol, which is 0 on Python 2.x, >>> import pickle >>> y = pickle.loads(pickle.dumps(x)) >>> y {'test': 'hello'} >>> y._length 5 Using the highest protocol, which is 2 on Python 2.x, >>> import pickle >>> z = pickle.loads(pickle.dumps(x, pickle.HIGHEST_PROTOCOL)) >>> z {'test': 'hello'} >>> z._length 5 """ def __init__(self, length): """Create an EMPTY restricted dictionary.""" dict.__init__(self) self._length = int(length) def __setitem__(self, key, value): # The check hasattr(self, "_length") is to cope with pickle protocol 2 # I couldn't seem to avoid this with __getstate__ and __setstate__ if not hasattr(value, "__len__") or not hasattr(value, "__getitem__") \ or (hasattr(self, "_length") and len(value) != self._length): raise TypeError("We only allow python sequences (lists, tuples or " "strings) of length {0}.".format(self._length)) dict.__setitem__(self, key, value) def update(self, new_dict): # Force this to go via our strict __setitem__ method for (key, value) in new_dict.items(): self[key] = value class SeqRecord(object): """A SeqRecord object holds a sequence and information about it. Main attributes: - id - Identifier such as a locus tag (string) - seq - The sequence itself (Seq object or similar) Additional attributes: - name - Sequence name, e.g. gene name (string) - description - Additional text (string) - dbxrefs - List of database cross references (list of strings) - features - Any (sub)features defined (list of SeqFeature objects) - annotations - Further information about the whole sequence (dictionary). Most entries are strings, or lists of strings. - letter_annotations - Per letter/symbol annotation (restricted dictionary). This holds Python sequences (lists, strings or tuples) whose length matches that of the sequence. A typical use would be to hold a list of integers representing sequencing quality scores, or a string representing the secondary structure. You will typically use Bio.SeqIO to read in sequences from files as SeqRecord objects. However, you may want to create your own SeqRecord objects directly (see the __init__ method for further details): >>> from Bio.Seq import Seq >>> from Bio.SeqRecord import SeqRecord >>> from Bio.Alphabet import IUPAC >>> record = SeqRecord(Seq("MKQHKAMIVALIVICITAVVAALVTRKDLCEVHIRTGQTEVAVF", ... IUPAC.protein), ... id="YP_025292.1", name="HokC", ... description="toxic membrane protein") >>> print(record) ID: YP_025292.1 Name: HokC Description: toxic membrane protein Number of features: 0 Seq('MKQHKAMIVALIVICITAVVAALVTRKDLCEVHIRTGQTEVAVF', IUPACProtein()) If you want to save SeqRecord objects to a sequence file, use Bio.SeqIO for this. For the special case where you want the SeqRecord turned into a string in a particular file format there is a format method which uses Bio.SeqIO internally: >>> print(record.format("fasta")) >YP_025292.1 toxic membrane protein MKQHKAMIVALIVICITAVVAALVTRKDLCEVHIRTGQTEVAVF <BLANKLINE> You can also do things like slicing a SeqRecord, checking its length, etc >>> len(record) 44 >>> edited = record[:10] + record[11:] >>> print(edited.seq) MKQHKAMIVAIVICITAVVAALVTRKDLCEVHIRTGQTEVAVF >>> print(record.seq) MKQHKAMIVALIVICITAVVAALVTRKDLCEVHIRTGQTEVAVF """ def __init__(self, seq, id="<unknown id>", name="<unknown name>", description="<unknown description>", dbxrefs=None, features=None, annotations=None, letter_annotations=None): """Create a SeqRecord. Arguments: - seq - Sequence, required (Seq, MutableSeq or UnknownSeq) - id - Sequence identifier, recommended (string) - name - Sequence name, optional (string) - description - Sequence description, optional (string) - dbxrefs - Database cross references, optional (list of strings) - features - Any (sub)features, optional (list of SeqFeature objects) - annotations - Dictionary of annotations for the whole sequence - letter_annotations - Dictionary of per-letter-annotations, values should be strings, list or tuples of the same length as the full sequence. You will typically use Bio.SeqIO to read in sequences from files as SeqRecord objects. However, you may want to create your own SeqRecord objects directly. Note that while an id is optional, we strongly recommend you supply a unique id string for each record. This is especially important if you wish to write your sequences to a file. If you don't have the actual sequence, but you do know its length, then using the UnknownSeq object from Bio.Seq is appropriate. You can create a 'blank' SeqRecord object, and then populate the attributes later. """ if id is not None and not isinstance(id, basestring): # Lots of existing code uses id=None... this may be a bad idea. raise TypeError("id argument should be a string") if not isinstance(name, basestring): raise TypeError("name argument should be a string") if not isinstance(description, basestring): raise TypeError("description argument should be a string") self._seq = seq self.id = id self.name = name self.description = description # database cross references (for the whole sequence) if dbxrefs is None: dbxrefs = [] elif not isinstance(dbxrefs, list): raise TypeError("dbxrefs argument should be a list (of strings)") self.dbxrefs = dbxrefs # annotations about the whole sequence if annotations is None: annotations = {} elif not isinstance(annotations, dict): raise TypeError("annotations argument should be a dict") self.annotations = annotations if letter_annotations is None: # annotations about each letter in the sequence if seq is None: # Should we allow this and use a normal unrestricted dict? self._per_letter_annotations = _RestrictedDict(length=0) else: try: self._per_letter_annotations = \ _RestrictedDict(length=len(seq)) except: raise TypeError("seq argument should be a Seq object or similar") else: # This will be handled via the property set function, which will # turn this into a _RestrictedDict and thus ensure all the values # in the dict are the right length self.letter_annotations = letter_annotations # annotations about parts of the sequence if features is None: features = [] elif not isinstance(features, list): raise TypeError("features argument should be a list (of SeqFeature objects)") self.features = features # TODO - Just make this a read only property? def _set_per_letter_annotations(self, value): if not isinstance(value, dict): raise TypeError("The per-letter-annotations should be a " "(restricted) dictionary.") # Turn this into a restricted-dictionary (and check the entries) try: self._per_letter_annotations = _RestrictedDict(length=len(self.seq)) except AttributeError: # e.g. seq is None self._per_letter_annotations = _RestrictedDict(length=0) self._per_letter_annotations.update(value) letter_annotations = property( fget=lambda self: self._per_letter_annotations, fset=_set_per_letter_annotations, doc="""Dictionary of per-letter-annotation for the sequence. For example, this can hold quality scores used in FASTQ or QUAL files. Consider this example using Bio.SeqIO to read in an example Solexa variant FASTQ file as a SeqRecord: >>> from Bio import SeqIO >>> record = SeqIO.read("Quality/solexa_faked.fastq", "fastq-solexa") >>> print("%s %s" % (record.id, record.seq)) slxa_0001_1_0001_01 ACGTACGTACGTACGTACGTACGTACGTACGTACGTACGTNNNNNN >>> print(list(record.letter_annotations)) ['solexa_quality'] >>> print(record.letter_annotations["solexa_quality"]) [40, 39, 38, 37, 36, 35, 34, 33, 32, 31, 30, 29, 28, 27, 26, 25, 24, 23, 22, 21, 20, 19, 18, 17, 16, 15, 14, 13, 12, 11, 10, 9, 8, 7, 6, 5, 4, 3, 2, 1, 0, -1, -2, -3, -4, -5] The letter_annotations get sliced automatically if you slice the parent SeqRecord, for example taking the last ten bases: >>> sub_record = record[-10:] >>> print("%s %s" % (sub_record.id, sub_record.seq)) slxa_0001_1_0001_01 ACGTNNNNNN >>> print(sub_record.letter_annotations["solexa_quality"]) [4, 3, 2, 1, 0, -1, -2, -3, -4, -5] Any python sequence (i.e. list, tuple or string) can be recorded in the SeqRecord's letter_annotations dictionary as long as the length matches that of the SeqRecord's sequence. e.g. >>> len(sub_record.letter_annotations) 1 >>> sub_record.letter_annotations["dummy"] = "abcdefghij" >>> len(sub_record.letter_annotations) 2 You can delete entries from the letter_annotations dictionary as usual: >>> del sub_record.letter_annotations["solexa_quality"] >>> sub_record.letter_annotations {'dummy': 'abcdefghij'} You can completely clear the dictionary easily as follows: >>> sub_record.letter_annotations = {} >>> sub_record.letter_annotations {} """) def _set_seq(self, value): # TODO - Add a deprecation warning that the seq should be write only? if self._per_letter_annotations: # TODO - Make this a warning? Silently empty the dictionary? raise ValueError("You must empty the letter annotations first!") self._seq = value try: self._per_letter_annotations = _RestrictedDict(length=len(self.seq)) except AttributeError: # e.g. seq is None self._per_letter_annotations = _RestrictedDict(length=0) seq = property(fget=lambda self: self._seq, fset=_set_seq, doc="The sequence itself, as a Seq or MutableSeq object.") def __getitem__(self, index): """Returns a sub-sequence or an individual letter. Slicing, e.g. my_record[5:10], returns a new SeqRecord for that sub-sequence with appropriate annotation preserved. The name, id and description are kept. Any per-letter-annotations are sliced to match the requested sub-sequence. Unless a stride is used, all those features which fall fully within the subsequence are included (with their locations adjusted accordingly). However, the annotations dictionary and the dbxrefs list are not used for the new SeqRecord, as in general they may not apply to the subsequence. If you want to preserve them, you must explicitly copy them to the new SeqRecord yourself. Using an integer index, e.g. my_record[5] is shorthand for extracting that letter from the sequence, my_record.seq[5]. For example, consider this short protein and its secondary structure as encoded by the PDB (e.g. H for alpha helices), plus a simple feature for its histidine self phosphorylation site: >>> from Bio.Seq import Seq >>> from Bio.SeqRecord import SeqRecord >>> from Bio.SeqFeature import SeqFeature, FeatureLocation >>> from Bio.Alphabet import IUPAC >>> rec = SeqRecord(Seq("MAAGVKQLADDRTLLMAGVSHDLRTPLTRIRLAT" ... "EMMSEQDGYLAESINKDIEECNAIIEQFIDYLR", ... IUPAC.protein), ... id="1JOY", name="EnvZ", ... description="Homodimeric domain of EnvZ from E. coli") >>> rec.letter_annotations["secondary_structure"] = " S SSSSSSHHHHHTTTHHHHHHHHHHHHHHHHHHHHHHTHHHHHHHHHHHHHHHHHHHHHTT " >>> rec.features.append(SeqFeature(FeatureLocation(20, 21), ... type = "Site")) Now let's have a quick look at the full record, >>> print(rec) ID: 1JOY Name: EnvZ Description: Homodimeric domain of EnvZ from E. coli Number of features: 1 Per letter annotation for: secondary_structure Seq('MAAGVKQLADDRTLLMAGVSHDLRTPLTRIRLATEMMSEQDGYLAESINKDIEE...YLR', IUPACProtein()) >>> print(rec.letter_annotations["secondary_structure"]) S SSSSSSHHHHHTTTHHHHHHHHHHHHHHHHHHHHHHTHHHHHHHHHHHHHHHHHHHHHTT >>> print(rec.features[0].location) [20:21] Now let's take a sub sequence, here chosen as the first (fractured) alpha helix which includes the histidine phosphorylation site: >>> sub = rec[11:41] >>> print(sub) ID: 1JOY Name: EnvZ Description: Homodimeric domain of EnvZ from E. coli Number of features: 1 Per letter annotation for: secondary_structure Seq('RTLLMAGVSHDLRTPLTRIRLATEMMSEQD', IUPACProtein()) >>> print(sub.letter_annotations["secondary_structure"]) HHHHHTTTHHHHHHHHHHHHHHHHHHHHHH >>> print(sub.features[0].location) [9:10] You can also of course omit the start or end values, for example to get the first ten letters only: >>> print(rec[:10]) ID: 1JOY Name: EnvZ Description: Homodimeric domain of EnvZ from E. coli Number of features: 0 Per letter annotation for: secondary_structure Seq('MAAGVKQLAD', IUPACProtein()) Or for the last ten letters: >>> print(rec[-10:]) ID: 1JOY Name: EnvZ Description: Homodimeric domain of EnvZ from E. coli Number of features: 0 Per letter annotation for: secondary_structure Seq('IIEQFIDYLR', IUPACProtein()) If you omit both, then you get a copy of the original record (although lacking the annotations and dbxrefs): >>> print(rec[:]) ID: 1JOY Name: EnvZ Description: Homodimeric domain of EnvZ from E. coli Number of features: 1 Per letter annotation for: secondary_structure Seq('MAAGVKQLADDRTLLMAGVSHDLRTPLTRIRLATEMMSEQDGYLAESINKDIEE...YLR', IUPACProtein()) Finally, indexing with a simple integer is shorthand for pulling out that letter from the sequence directly: >>> rec[5] 'K' >>> rec.seq[5] 'K' """ if isinstance(index, int): # NOTE - The sequence level annotation like the id, name, etc # do not really apply to a single character. However, should # we try and expose any per-letter-annotation here? If so how? return self.seq[index] elif isinstance(index, slice): if self.seq is None: raise ValueError("If the sequence is None, we cannot slice it.") parent_length = len(self) answer = self.__class__(self.seq[index], id=self.id, name=self.name, description=self.description) # TODO - The description may no longer apply. # It would be safer to change it to something # generic like "edited" or the default value. # Don't copy the annotation dict and dbxefs list, # they may not apply to a subsequence. # answer.annotations = dict(self.annotations.items()) # answer.dbxrefs = self.dbxrefs[:] # TODO - Review this in light of adding SeqRecord objects? # TODO - Cope with strides by generating ambiguous locations? start, stop, step = index.indices(parent_length) if step == 1: # Select relevant features, add them with shifted locations # assert str(self.seq)[index] == str(self.seq)[start:stop] for f in self.features: if f.ref or f.ref_db: # TODO - Implement this (with lots of tests)? import warnings warnings.warn("When slicing SeqRecord objects, any " "SeqFeature referencing other sequences (e.g. " "from segmented GenBank records) are ignored.") continue if start <= f.location.nofuzzy_start \ and f.location.nofuzzy_end <= stop: answer.features.append(f._shift(-start)) # Slice all the values to match the sliced sequence # (this should also work with strides, even negative strides): for key, value in self.letter_annotations.items(): answer._per_letter_annotations[key] = value[index] return answer raise ValueError("Invalid index") def __iter__(self): """Iterate over the letters in the sequence. For example, using Bio.SeqIO to read in a protein FASTA file: >>> from Bio import SeqIO >>> record = SeqIO.read("Fasta/loveliesbleeding.pro", "fasta") >>> for amino in record: ... print(amino) ... if amino == "L": break X A G L >>> print(record.seq[3]) L This is just a shortcut for iterating over the sequence directly: >>> for amino in record.seq: ... print(amino) ... if amino == "L": break X A G L >>> print(record.seq[3]) L Note that this does not facilitate iteration together with any per-letter-annotation. However, you can achieve that using the python zip function on the record (or its sequence) and the relevant per-letter-annotation: >>> from Bio import SeqIO >>> rec = SeqIO.read("Quality/solexa_faked.fastq", "fastq-solexa") >>> print("%s %s" % (rec.id, rec.seq)) slxa_0001_1_0001_01 ACGTACGTACGTACGTACGTACGTACGTACGTACGTACGTNNNNNN >>> print(list(rec.letter_annotations)) ['solexa_quality'] >>> for nuc, qual in zip(rec, rec.letter_annotations["solexa_quality"]): ... if qual > 35: ... print("%s %i" % (nuc, qual)) A 40 C 39 G 38 T 37 A 36 You may agree that using zip(rec.seq, ...) is more explicit than using zip(rec, ...) as shown above. """ return iter(self.seq) def __contains__(self, char): """Implements the 'in' keyword, searches the sequence. e.g. >>> from Bio import SeqIO >>> record = SeqIO.read("Fasta/sweetpea.nu", "fasta") >>> "GAATTC" in record False >>> "AAA" in record True This essentially acts as a proxy for using "in" on the sequence: >>> "GAATTC" in record.seq False >>> "AAA" in record.seq True Note that you can also use Seq objects as the query, >>> from Bio.Seq import Seq >>> from Bio.Alphabet import generic_dna >>> Seq("AAA") in record True >>> Seq("AAA", generic_dna) in record True See also the Seq object's __contains__ method. """ return char in self.seq def __str__(self): """A human readable summary of the record and its annotation (string). The python built in function str works by calling the object's ___str__ method. e.g. >>> from Bio.Seq import Seq >>> from Bio.SeqRecord import SeqRecord >>> from Bio.Alphabet import IUPAC >>> record = SeqRecord(Seq("MKQHKAMIVALIVICITAVVAALVTRKDLCEVHIRTGQTEVAVF", ... IUPAC.protein), ... id="YP_025292.1", name="HokC", ... description="toxic membrane protein, small") >>> print(str(record)) ID: YP_025292.1 Name: HokC Description: toxic membrane protein, small Number of features: 0 Seq('MKQHKAMIVALIVICITAVVAALVTRKDLCEVHIRTGQTEVAVF', IUPACProtein()) In this example you don't actually need to call str explicity, as the print command does this automatically: >>> print(record) ID: YP_025292.1 Name: HokC Description: toxic membrane protein, small Number of features: 0 Seq('MKQHKAMIVALIVICITAVVAALVTRKDLCEVHIRTGQTEVAVF', IUPACProtein()) Note that long sequences are shown truncated. """ lines = [] if self.id: lines.append("ID: {0}".format(self.id)) if self.name: lines.append("Name: {0}".format(self.name)) if self.description: lines.append("Description: {0}".format(self.description)) if self.dbxrefs: lines.append("Database cross-references: " + ", ".join(self.dbxrefs)) lines.append("Number of features: {0}".format(len(self.features))) for a in self.annotations: lines.append("/{0}={1}".format(a, str(self.annotations[a]))) if self.letter_annotations: lines.append("Per letter annotation for: " + ", ".join(self.letter_annotations)) # Don't want to include the entire sequence, # and showing the alphabet is useful: lines.append(repr(self.seq)) return "\n".join(lines) def __repr__(self): """A concise summary of the record for debugging (string). The python built in function repr works by calling the object's ___repr__ method. e.g. >>> from Bio.Seq import Seq >>> from Bio.SeqRecord import SeqRecord >>> from Bio.Alphabet import generic_protein >>> rec = SeqRecord(Seq("MASRGVNKVILVGNLGQDPEVRYMPNGGAVANITLATSESWRDKAT" ... +"GEMKEQTEWHRVVLFGKLAEVASEYLRKGSQVYIEGQLRTRKWTDQ" ... +"SGQDRYTTEVVVNVGGTMQMLGGRQGGGAPAGGNIGGGQPQGGWGQ" ... +"PQQPQGGNQFSGGAQSRPQQSAPAAPSNEPPMDFDDDIPF", ... generic_protein), ... id="NP_418483.1", name="b4059", ... description="ssDNA-binding protein", ... dbxrefs=["ASAP:13298", "GI:16131885", "GeneID:948570"]) >>> print(repr(rec)) SeqRecord(seq=Seq('MASRGVNKVILVGNLGQDPEVRYMPNGGAVANITLATSESWRDKATGEMKEQTE...IPF', ProteinAlphabet()), id='NP_418483.1', name='b4059', description='ssDNA-binding protein', dbxrefs=['ASAP:13298', 'GI:16131885', 'GeneID:948570']) At the python prompt you can also use this shorthand: >>> rec SeqRecord(seq=Seq('MASRGVNKVILVGNLGQDPEVRYMPNGGAVANITLATSESWRDKATGEMKEQTE...IPF', ProteinAlphabet()), id='NP_418483.1', name='b4059', description='ssDNA-binding protein', dbxrefs=['ASAP:13298', 'GI:16131885', 'GeneID:948570']) Note that long sequences are shown truncated. Also note that any annotations, letter_annotations and features are not shown (as they would lead to a very long string). """ return "{0}(seq={1!r}, id={2!r}, name={3!r}, description={4!r}, dbxrefs={5!r})".format( self.__class__.__name__, self.seq, self.id, self.name, self.description, self.dbxrefs) def format(self, format): r"""Returns the record as a string in the specified file format. The format should be a lower case string supported as an output format by Bio.SeqIO, which is used to turn the SeqRecord into a string. e.g. >>> from Bio.Seq import Seq >>> from Bio.SeqRecord import SeqRecord >>> from Bio.Alphabet import IUPAC >>> record = SeqRecord(Seq("MKQHKAMIVALIVICITAVVAALVTRKDLCEVHIRTGQTEVAVF", ... IUPAC.protein), ... id="YP_025292.1", name="HokC", ... description="toxic membrane protein") >>> record.format("fasta") '>YP_025292.1 toxic membrane protein\nMKQHKAMIVALIVICITAVVAALVTRKDLCEVHIRTGQTEVAVF\n' >>> print(record.format("fasta")) >YP_025292.1 toxic membrane protein MKQHKAMIVALIVICITAVVAALVTRKDLCEVHIRTGQTEVAVF <BLANKLINE> The python print command automatically appends a new line, meaning in this example a blank line is shown. If you look at the string representation you can see there is a trailing new line (shown as slash n) which is important when writing to a file or if concatenating multiple sequence strings together. Note that this method will NOT work on every possible file format supported by Bio.SeqIO (e.g. some are for multiple sequences only). """ # See also the __format__ added for Python 2.6 / 3.0, PEP 3101 # See also the Bio.Align.Generic.Alignment class and its format() return self.__format__(format) def __format__(self, format_spec): """Returns the record as a string in the specified file format. This method supports the python format() function added in Python 2.6/3.0. The format_spec should be a lower case string supported by Bio.SeqIO as an output file format. See also the SeqRecord's format() method. Under Python 3 please note that for binary formats a bytes string is returned, otherwise a (unicode) string is returned. """ if not format_spec: # Follow python convention and default to using __str__ return str(self) from Bio import SeqIO if format_spec in SeqIO._BinaryFormats: # Return bytes on Python 3 from io import BytesIO handle = BytesIO() else: from Bio._py3k import StringIO handle = StringIO() SeqIO.write(self, handle, format_spec) return handle.getvalue() def __len__(self): """Returns the length of the sequence. For example, using Bio.SeqIO to read in a FASTA nucleotide file: >>> from Bio import SeqIO >>> record = SeqIO.read("Fasta/sweetpea.nu", "fasta") >>> len(record) 309 >>> len(record.seq) 309 """ return len(self.seq) # Python 3: def __bool__(self): """Boolean value of an instance of this class (True). This behaviour is for backwards compatibility, since until the __len__ method was added, a SeqRecord always evaluated as True. Note that in comparison, a Seq object will evaluate to False if it has a zero length sequence. WARNING: The SeqRecord may in future evaluate to False when its sequence is of zero length (in order to better match the Seq object behaviour)! """ return True # Python 2: __nonzero__ = __bool__ def __add__(self, other): """Add another sequence or string to this sequence. The other sequence can be a SeqRecord object, a Seq object (or similar, e.g. a MutableSeq) or a plain Python string. If you add a plain string or a Seq (like) object, the new SeqRecord will simply have this appended to the existing data. However, any per letter annotation will be lost: >>> from Bio import SeqIO >>> record = SeqIO.read("Quality/solexa_faked.fastq", "fastq-solexa") >>> print("%s %s" % (record.id, record.seq)) slxa_0001_1_0001_01 ACGTACGTACGTACGTACGTACGTACGTACGTACGTACGTNNNNNN >>> print(list(record.letter_annotations)) ['solexa_quality'] >>> new = record + "ACT" >>> print("%s %s" % (new.id, new.seq)) slxa_0001_1_0001_01 ACGTACGTACGTACGTACGTACGTACGTACGTACGTACGTNNNNNNACT >>> print(list(new.letter_annotations)) [] The new record will attempt to combine the annotation, but for any ambiguities (e.g. different names) it defaults to omitting that annotation. >>> from Bio import SeqIO >>> with open("GenBank/pBAD30.gb") as handle: ... plasmid = SeqIO.read(handle, "gb") >>> print("%s %i" % (plasmid.id, len(plasmid))) pBAD30 4923 Now let's cut the plasmid into two pieces, and join them back up the other way round (i.e. shift the starting point on this plasmid, have a look at the annotated features in the original file to see why this particular split point might make sense): >>> left = plasmid[:3765] >>> right = plasmid[3765:] >>> new = right + left >>> print("%s %i" % (new.id, len(new))) pBAD30 4923 >>> str(new.seq) == str(right.seq + left.seq) True >>> len(new.features) == len(left.features) + len(right.features) True When we add the left and right SeqRecord objects, their annotation is all consistent, so it is all conserved in the new SeqRecord: >>> new.id == left.id == right.id == plasmid.id True >>> new.name == left.name == right.name == plasmid.name True >>> new.description == plasmid.description True >>> new.annotations == left.annotations == right.annotations True >>> new.letter_annotations == plasmid.letter_annotations True >>> new.dbxrefs == left.dbxrefs == right.dbxrefs True However, we should point out that when we sliced the SeqRecord, any annotations dictionary or dbxrefs list entries were lost. You can explicitly copy them like this: >>> new.annotations = plasmid.annotations.copy() >>> new.dbxrefs = plasmid.dbxrefs[:] """ if not isinstance(other, SeqRecord): # Assume it is a string or a Seq. # Note can't transfer any per-letter-annotations return SeqRecord(self.seq + other, id=self.id, name=self.name, description=self.description, features=self.features[:], annotations=self.annotations.copy(), dbxrefs=self.dbxrefs[:]) # Adding two SeqRecord objects... must merge annotation. answer = SeqRecord(self.seq + other.seq, features=self.features[:], dbxrefs=self.dbxrefs[:]) # Will take all the features and all the db cross refs, l = len(self) for f in other.features: answer.features.append(f._shift(l)) del l for ref in other.dbxrefs: if ref not in answer.dbxrefs: answer.dbxrefs.append(ref) # Take common id/name/description/annotation if self.id == other.id: answer.id = self.id if self.name == other.name: answer.name = self.name if self.description == other.description: answer.description = self.description for k, v in self.annotations.items(): if k in other.annotations and other.annotations[k] == v: answer.annotations[k] = v # Can append matching per-letter-annotation for k, v in self.letter_annotations.items(): if k in other.letter_annotations: answer.letter_annotations[k] = v + other.letter_annotations[k] return answer def __radd__(self, other): """Add another sequence or string to this sequence (from the left). This method handles adding a Seq object (or similar, e.g. MutableSeq) or a plain Python string (on the left) to a SeqRecord (on the right). See the __add__ method for more details, but for example: >>> from Bio import SeqIO >>> record = SeqIO.read("Quality/solexa_faked.fastq", "fastq-solexa") >>> print("%s %s" % (record.id, record.seq)) slxa_0001_1_0001_01 ACGTACGTACGTACGTACGTACGTACGTACGTACGTACGTNNNNNN >>> print(list(record.letter_annotations)) ['solexa_quality'] >>> new = "ACT" + record >>> print("%s %s" % (new.id, new.seq)) slxa_0001_1_0001_01 ACTACGTACGTACGTACGTACGTACGTACGTACGTACGTACGTNNNNNN >>> print(list(new.letter_annotations)) [] """ if isinstance(other, SeqRecord): raise RuntimeError("This should have happened via the __add__ of " "the other SeqRecord being added!") # Assume it is a string or a Seq. # Note can't transfer any per-letter-annotations offset = len(other) return SeqRecord(other + self.seq, id=self.id, name=self.name, description=self.description, features=[f._shift(offset) for f in self.features], annotations=self.annotations.copy(), dbxrefs=self.dbxrefs[:]) def upper(self): """Returns a copy of the record with an upper case sequence. All the annotation is preserved unchanged. e.g. >>> from Bio.Alphabet import generic_dna >>> from Bio.Seq import Seq >>> from Bio.SeqRecord import SeqRecord >>> record = SeqRecord(Seq("acgtACGT", generic_dna), id="Test", ... description = "Made up for this example") >>> record.letter_annotations["phred_quality"] = [1, 2, 3, 4, 5, 6, 7, 8] >>> print(record.upper().format("fastq")) @Test Made up for this example ACGTACGT + "#$%&'() <BLANKLINE> Naturally, there is a matching lower method: >>> print(record.lower().format("fastq")) @Test Made up for this example acgtacgt + "#$%&'() <BLANKLINE> """ return SeqRecord(self.seq.upper(), id=self.id, name=self.name, description=self.description, dbxrefs=self.dbxrefs[:], features=self.features[:], annotations=self.annotations.copy(), letter_annotations=self.letter_annotations.copy()) def lower(self): """Returns a copy of the record with a lower case sequence. All the annotation is preserved unchanged. e.g. >>> from Bio import SeqIO >>> record = SeqIO.read("Fasta/aster.pro", "fasta") >>> print(record.format("fasta")) >gi|3298468|dbj|BAA31520.1| SAMIPF GGHVNPAVTFGAFVGGNITLLRGIVYIIAQLLGSTVACLLLKFVTNDMAVGVFSLSAGVG VTNALVFEIVMTFGLVYTVYATAIDPKKGSLGTIAPIAIGFIVGANI <BLANKLINE> >>> print(record.lower().format("fasta")) >gi|3298468|dbj|BAA31520.1| SAMIPF gghvnpavtfgafvggnitllrgivyiiaqllgstvaclllkfvtndmavgvfslsagvg vtnalvfeivmtfglvytvyataidpkkgslgtiapiaigfivgani <BLANKLINE> To take a more annotation rich example, >>> from Bio import SeqIO >>> old = SeqIO.read("EMBL/TRBG361.embl", "embl") >>> len(old.features) 3 >>> new = old.lower() >>> len(old.features) == len(new.features) True >>> old.annotations["organism"] == new.annotations["organism"] True >>> old.dbxrefs == new.dbxrefs True """ return SeqRecord(self.seq.lower(), id=self.id, name=self.name, description=self.description, dbxrefs=self.dbxrefs[:], features=self.features[:], annotations=self.annotations.copy(), letter_annotations=self.letter_annotations.copy()) def reverse_complement(self, id=False, name=False, description=False, features=True, annotations=False, letter_annotations=True, dbxrefs=False): """Returns new SeqRecord with reverse complement sequence. You can specify the returned record's id, name and description as strings, or True to keep that of the parent, or False for a default. You can specify the returned record's features with a list of SeqFeature objects, or True to keep that of the parent, or False to omit them. The default is to keep the original features (with the strand and locations adjusted). You can also specify both the returned record's annotations and letter_annotations as dictionaries, True to keep that of the parent, or False to omit them. The default is to keep the original annotations (with the letter annotations reversed). To show what happens to the pre-letter annotations, consider an example Solexa variant FASTQ file with a single entry, which we'll read in as a SeqRecord: >>> from Bio import SeqIO >>> record = SeqIO.read("Quality/solexa_faked.fastq", "fastq-solexa") >>> print("%s %s" % (record.id, record.seq)) slxa_0001_1_0001_01 ACGTACGTACGTACGTACGTACGTACGTACGTACGTACGTNNNNNN >>> print(list(record.letter_annotations)) ['solexa_quality'] >>> print(record.letter_annotations["solexa_quality"]) [40, 39, 38, 37, 36, 35, 34, 33, 32, 31, 30, 29, 28, 27, 26, 25, 24, 23, 22, 21, 20, 19, 18, 17, 16, 15, 14, 13, 12, 11, 10, 9, 8, 7, 6, 5, 4, 3, 2, 1, 0, -1, -2, -3, -4, -5] Now take the reverse complement, >>> rc_record = record.reverse_complement(id=record.id+"_rc") >>> print("%s %s" % (rc_record.id, rc_record.seq)) slxa_0001_1_0001_01_rc NNNNNNACGTACGTACGTACGTACGTACGTACGTACGTACGTACGT Notice that the per-letter-annotations have also been reversed, although this may not be appropriate for all cases. >>> print(rc_record.letter_annotations["solexa_quality"]) [-5, -4, -3, -2, -1, 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40] Now for the features, we need a different example. Parsing a GenBank file is probably the easiest way to get an nice example with features in it... >>> from Bio import SeqIO >>> with open("GenBank/pBAD30.gb") as handle: ... plasmid = SeqIO.read(handle, "gb") >>> print("%s %i" % (plasmid.id, len(plasmid))) pBAD30 4923 >>> plasmid.seq Seq('GCTAGCGGAGTGTATACTGGCTTACTATGTTGGCACTGATGAGGGTGTCAGTGA...ATG', IUPACAmbiguousDNA()) >>> len(plasmid.features) 13 Now, let's take the reverse complement of this whole plasmid: >>> rc_plasmid = plasmid.reverse_complement(id=plasmid.id+"_rc") >>> print("%s %i" % (rc_plasmid.id, len(rc_plasmid))) pBAD30_rc 4923 >>> rc_plasmid.seq Seq('CATGGGCAAATATTATACGCAAGGCGACAAGGTGCTGATGCCGCTGGCGATTCA...AGC', IUPACAmbiguousDNA()) >>> len(rc_plasmid.features) 13 Let's compare the first CDS feature - it has gone from being the second feature (index 1) to the second last feature (index -2), its strand has changed, and the location switched round. >>> print(plasmid.features[1]) type: CDS location: [1081:1960](-) qualifiers: Key: label, Value: ['araC'] Key: note, Value: ['araC regulator of the arabinose BAD promoter'] Key: vntifkey, Value: ['4'] <BLANKLINE> >>> print(rc_plasmid.features[-2]) type: CDS location: [2963:3842](+) qualifiers: Key: label, Value: ['araC'] Key: note, Value: ['araC regulator of the arabinose BAD promoter'] Key: vntifkey, Value: ['4'] <BLANKLINE> You can check this new location, based on the length of the plasmid: >>> len(plasmid) - 1081 3842 >>> len(plasmid) - 1960 2963 Note that if the SeqFeature annotation includes any strand specific information (e.g. base changes for a SNP), this information is not amended, and would need correction after the reverse complement. Note trying to reverse complement a protein SeqRecord raises an exception: >>> from Bio.SeqRecord import SeqRecord >>> from Bio.Seq import Seq >>> from Bio.Alphabet import IUPAC >>> protein_rec = SeqRecord(Seq("MAIVMGR", IUPAC.protein), id="Test") >>> protein_rec.reverse_complement() Traceback (most recent call last): ... ValueError: Proteins do not have complements! Also note you can reverse complement a SeqRecord using a MutableSeq: >>> from Bio.SeqRecord import SeqRecord >>> from Bio.Seq import MutableSeq >>> from Bio.Alphabet import generic_dna >>> rec = SeqRecord(MutableSeq("ACGT", generic_dna), id="Test") >>> rec.seq[0] = "T" >>> print("%s %s" % (rec.id, rec.seq)) Test TCGT >>> rc = rec.reverse_complement(id=True) >>> print("%s %s" % (rc.id, rc.seq)) Test ACGA """ from Bio.Seq import MutableSeq # Lazy to avoid circular imports if isinstance(self.seq, MutableSeq): # Currently the MutableSeq reverse complement is in situ answer = SeqRecord(self.seq.toseq().reverse_complement()) else: answer = SeqRecord(self.seq.reverse_complement()) if isinstance(id, basestring): answer.id = id elif id: answer.id = self.id if isinstance(name, basestring): answer.name = name elif name: answer.name = self.name if isinstance(description, basestring): answer.description = description elif description: answer.description = self.description if isinstance(dbxrefs, list): answer.dbxrefs = dbxrefs elif dbxrefs: # Copy the old dbxrefs answer.dbxrefs = self.dbxrefs[:] if isinstance(features, list): answer.features = features elif features: # Copy the old features, adjusting location and string l = len(answer) answer.features = [f._flip(l) for f in self.features] # The old list should have been sorted by start location, # reversing it will leave it sorted by what is now the end position, # so we need to resort in case of overlapping features. # NOTE - In the common case of gene before CDS (and similar) with # the exact same locations, this will still maintain gene before CDS answer.features.sort(key=lambda x: x.location.start.position) if isinstance(annotations, dict): answer.annotations = annotations elif annotations: # Copy the old annotations, answer.annotations = self.annotations.copy() if isinstance(letter_annotations, dict): answer.letter_annotations = letter_annotations elif letter_annotations: # Copy the old per letter annotations, reversing them for key, value in self.letter_annotations.items(): answer._per_letter_annotations[key] = value[::-1] return answer if __name__ == "__main__": from Bio._utils import run_doctest run_doctest()
poojavade/Genomics_Docker
Dockerfiles/gedlab-khmer-filter-abund/pymodules/python2.7/lib/python/Bio/SeqRecord.py
Python
apache-2.0
46,584
[ "BioPerl", "Biopython" ]
7d82174f2b9ce22f693db036ab1cc20daff1527bcffabb2f0d70ecbc8e2f09c2
# # Copyright 2018 Red Hat | Ansible # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later version. # # Ansible is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # # You should have received a copy of the GNU General Public License # along with Ansible. If not, see <http://www.gnu.org/licenses/>. from __future__ import (absolute_import, division, print_function) __metaclass__ = type DOCUMENTATION = """ lookup: k8s version_added: "2.5" short_description: Query the K8s API description: - Uses the OpenShift Python client to fetch a specific object by name, all matching objects within a namespace, or all matching objects for all namespaces. - Provides access the full range of K8s APIs. - Enables authentication via config file, certificates, password or token. options: api_version: description: - Use to specify the API version. If I(resource definition) is provided, the I(apiVersion) from the I(resource_definition) will override this option. default: v1 kind: description: - Use to specify an object model. If I(resource definition) is provided, the I(kind) from a I(resource_definition) will override this option. required: true resource_name: description: - Fetch a specific object by name. If I(resource definition) is provided, the I(metadata.name) value from the I(resource_definition) will override this option. namespace: description: - Limit the objects returned to a specific namespace. If I(resource definition) is provided, the I(metadata.namespace) value from the I(resource_definition) will override this option. label_selector: description: - Additional labels to include in the query. Ignored when I(resource_name) is provided. field_selector: description: - Specific fields on which to query. Ignored when I(resource_name) is provided. resource_definition: description: - "Provide a YAML configuration for an object. NOTE: I(kind), I(api_version), I(resource_name), and I(namespace) will be overwritten by corresponding values found in the provided I(resource_definition)." src: description: - "Provide a path to a file containing a valid YAML definition of an object dated. Mutually exclusive with I(resource_definition). NOTE: I(kind), I(api_version), I(resource_name), and I(namespace) will be overwritten by corresponding values found in the configuration read in from the I(src) file." - Reads from the local file system. To read from the Ansible controller's file system, use the file lookup plugin or template lookup plugin, combined with the from_yaml filter, and pass the result to I(resource_definition). See Examples below. host: description: - Provide a URL for accessing the API. Can also be specified via K8S_AUTH_HOST environment variable. api_key: description: - Token used to authenticate with the API. Can also be specified via K8S_AUTH_API_KEY environment variable. kubeconfig: description: - Path to an existing Kubernetes config file. If not provided, and no other connection options are provided, the openshift client will attempt to load the default configuration file from I(~/.kube/config.json). Can also be specified via K8S_AUTH_KUBECONFIG environment variable. context: description: - The name of a context found in the config file. Can also be specified via K8S_AUTH_CONTEXT environment variable. username: description: - Provide a username for authenticating with the API. Can also be specified via K8S_AUTH_USERNAME environment variable. password: description: - Provide a password for authenticating with the API. Can also be specified via K8S_AUTH_PASSWORD environment variable. cert_file: description: - Path to a certificate used to authenticate with the API. Can also be specified via K8S_AUTH_CERT_FILE environment variable. key_file: description: - Path to a key file used to authenticate with the API. Can also be specified via K8S_AUTH_HOST environment variable. ssl_ca_cert: description: - Path to a CA certificate used to authenticate with the API. Can also be specified via K8S_AUTH_SSL_CA_CERT environment variable. verify_ssl: description: - Whether or not to verify the API server's SSL certificates. Can also be specified via K8S_AUTH_VERIFY_SSL environment variable. type: bool requirements: - "python >= 2.7" - "openshift >= 0.3" - "PyYAML >= 3.11" notes: - "The OpenShift Python client wraps the K8s Python client, providing full access to all of the APIS and models available on both platforms. For API version details and additional information visit https://github.com/openshift/openshift-restclient-python" """ EXAMPLES = """ - name: Fetch a list of namespaces set_fact: projects: "{{ lookup('k8s', api_version='v1', kind='Namespace') }}" - name: Fetch all deployments set_fact: deployments: "{{ lookup('k8s', kind='Deployment', namespace='testing') }}" - name: Fetch all deployments in a namespace set_fact: deployments: "{{ lookup('k8s', kind='Deployment', namespace='testing') }}" - name: Fetch a specific deployment by name set_fact: deployments: "{{ lookup('k8s', kind='Deployment', namespace='testing', resource_name='elastic') }}" - name: Fetch with label selector set_fact: service: "{{ lookup('k8s', kind='Service', label_selector='app=galaxy') }}" # Use parameters from a YAML config - name: Load config from the Ansible controller filesystem set_fact: config: "{{ lookup('file', 'service.yml') | from_yaml }}" - name: Using the config (loaded from a file in prior task), fetch the latest version of the object set_fact: service: "{{ lookup('k8s', resource_definition=config) }}" - name: Use a config from the local filesystem set_fact: service: "{{ lookup('k8s', src='service.yml') }}" """ RETURN = """ _list: description: - One ore more object definitions returned from the API. type: complex contains: api_version: description: The versioned schema of this representation of an object. returned: success type: str kind: description: Represents the REST resource this object represents. returned: success type: str metadata: description: Standard object metadata. Includes name, namespace, annotations, labels, etc. returned: success type: complex spec: description: Specific attributes of the object. Will vary based on the I(api_version) and I(kind). returned: success type: complex status: description: Current status details for the object. returned: success type: complex """ from ansible.plugins.lookup import LookupBase from ansible.module_utils.k8s.lookup import KubernetesLookup class LookupModule(LookupBase): def run(self, terms, variables=None, **kwargs): return KubernetesLookup().run(terms, variables=variables, **kwargs)
ravibhure/ansible
lib/ansible/plugins/lookup/k8s.py
Python
gpl-3.0
7,896
[ "Galaxy", "VisIt" ]
b0ce83830682ff83c37069d1ac6e12ede9319520d413977b1d925162d2cffe7a
# pylint: disable=invalid-name,no-init from __future__ import (absolute_import, division, print_function) from mantid.simpleapi import * from mantid.api import FrameworkManager import copy import os import re import stresstesting BANNED_FILES = ['80_tubes_Top_and_Bottom_April_2015.xml', '80_tubes_Top_and_Bottom_May_2016.xml', '80tubeCalibration_18-04-2016_r9330-9335.nxs', '80tube_DIRECT_3146_M1_30April15_r3146.dat', '992 Descriptions.txt', 'directBeamDatabaseFall2014_IPTS_11601_2.cfg', 'BASIS_AutoReduction_Mask.xml', 'BioSANS_dark_current.xml', 'BioSANS_empty_cell.xml', 'BioSANS_empty_trans.xml', 'BioSANS_exp61_scan0004_0001.xml', 'BioSANS_flood_data.xml', 'BioSANS_sample_trans.xml', 'C6H5Cl-Gaussian.log', 'CNCS_TS_2008_08_18.dat', 'DISF_NaF.cdl', 'det_corrected7.dat', 'det_LET_cycle12-3.dat', 'DIRECT_M1_21Nov15_6x8mm_0.9_20.0_r6279_extrapolated.dat', 'eqsans_configuration.1463', 'FLAT_CELL.061', 'HYSA_mask.xml', 'IN10_P3OT_350K.inx', 'IN13_16347.asc', 'IN16_65722.asc', 'IP0005.dat', 'batch_input.csv', 'mar11015.msk', 'LET_hard.msk', # It seems loade does not understand it? 'MASK.094AA', 'MASKSANS2D_094i_RKH.txt', 'MASKSANS2D.091A', 'MASKSANS2Doptions.091A', 'MASK_squareBeamstop_20-June-2015.xml', 'MaskSANS2DReductionGUI.txt', 'MaskSANS2DReductionGUI_MaskFiles.txt', 'MaskSANS2DReductionGUI_LimitEventsTime.txt', 'MASK_SANS2D_FRONT_Edges_16Mar2015.xml', 'MASK_SANS2D_REAR_Bottom_3_tubes_16May2014.xml', 'MASK_SANS2D_REAR_Edges_16Mar2015.xml', 'MASK_SANS2D_REAR_module2_tube12.xml', 'MASK_SANS2D_beam_stop_4m_x_100mm_2July2015_medium_beamstop.xml', 'MASK_SANS2D_BOTH_Extras_24Mar2015.xml', 'MASK_Tube6.xml', 'MASK_squareBeamstop_6x8Beam_11-October-2016.xml', 'MAP17269.raw', # Don't need to check multiple MAPS files 'MAP17589.raw', 'MER06399.raw', # Don't need to check multiple MERLIN files 'PG3_11485-1.dat', # Generic load doesn't do very well with ASCII files 'PG3_2538_event.nxs', # Don't need to check all of the PG3 files 'PG3_9829_event.nxs', 'REF_M_9684_event.nxs', 'REF_M_9709_event.nxs', 'REF_M_24945_event.nxs', 'REF_M_24949_event.nxs', 'SANS2D_periodTests.csv', 'SANS2D_992_91A.csv', 'SANS2D_mask_batch.csv', 'sans2d_reduction_gui_batch.csv', 'squaricn.phonon', 'test_isotopes.phonon', 'squaricn.castep', 'target_circles_mask.xml', 'tube10_mask.xml', 'linked_circles_mask.xml', 'testCansas1DMultiEntry.xml', 'Wish_Diffuse_Scattering_ISAW_UB.mat', 'WSH_test.dat', 'WISH00035991.raw', 'WISH00038237.raw', 'SANS2D_multiPeriodTests.csv', 'SANS2D_periodTests.csv', 'SANS2DTube_ZerroErrorFreeTest.txt', 'SANS2DTUBES_ZeroErrorFree_batch.csv', 'DIRECTM1_15785_12m_31Oct12_v12.dat', 'MaskSANS2DReductionGUI.txt', 'sans2d_reduction_gui_batch.csv', 'MANTID_FLAT_CELL.115', 'MaskLOQData.txt', 'DIRECTHAB.983', 'loq_batch_mode_reduction.csv', 'det_corrected7.nxs', # this file can be loaded by LoadDetectorInfo; not sure if generic loader should ever deal with it 'poldi2013n006903.hdf', 'poldi2013n006904.hdf', 'poldi2014n019874.hdf', 'poldi2014n019881.hdf', 'poldi2015n000977.hdf', 'USER_SANS2D_143ZC_2p4_4m_M4_Knowles_12mm.txt', 'USER_LARMOR_151B_LarmorTeam_80tubes_BenchRot1p4_M4_r3699.txt', 'USER_SANS2D_154E_2p4_4m_M3_Xpress_8mm_SampleChanger.txt', 'USER_Larmor_163F_HePATest_r13038.txt', 'Vesuvio_IP_file_test.par', 'IP0004_10.par', 'Crystalb3lypScratchAbins.out', 'V15_0000016544_S000_P01.raw', 'TolueneTAbins.out', 'TolueneSmallerOrderAbins.out', 'TolueneLargerOrderAbins.out', 'TolueneScale.out', 'TolueneScratchAbins.out', 'SingleCrystalDiffuseReduction_UB.mat', 'Na2SiF6_DMOL3.outmol', 'FE_ALPHA.cif', 'Fe-gamma.cif', 'Fe-alpha.cif', 'Sm2O3.cif', 'template_ENGINX_241391_236516_North_bank.prm' ] EXPECTED_EXT = '.expected' BANNED_REGEXP = [r'SANS2D\d+.log$', r'SANS2D00000808_.+.txt$', r'.*_reduction.log$', r'.+_characterization_\d+_\d+_\d+.*\.txt', r'.*\.cal', r'.*\.detcal', r'.*Grouping\.xml', r'.*\.map', r'.*\.irf', r'.*\.hkl', r'EVS.*\.raw', r'.*_pulseid\.dat', r'.*\.phonon'] # This list stores files that will be loaded first. # Implemented as simple solution to avoid failures on # WinXP where small files have trouble allocating larger # amounts of contiguous memory. # Usage of XP is getting lower so we don't want to compromise the # performance of the code elsewhere just to pass here PRIORITY_FILES = ['HYS_13658_event.nxs', 'ILLIN5_Sample_096003.nxs', 'ILLIN5_Vana_095893.nxs'] def useDir(direc): """Only allow directories that aren't test output or reference results.""" if "reference" in direc: return False if config["defaultsave.directory"] == direc: return False return "Data" in direc def useFile(direc, filename): """Returns (useFile, abspath)""" # if it is an -stamp file then assume these are cmake created files if filename.endswith("-stamp"): return False, filename # list of explicitly banned files at the top of this script if filename in BANNED_FILES: return False, filename # is an 'expected' file if filename.endswith(EXPECTED_EXT): return False, filename # list of banned files by regexp for regexp in BANNED_REGEXP: if re.match(regexp, filename, re.I) is not None: return False, filename filename = os.path.join(direc, filename) if os.path.isdir(filename): return False, filename return True, filename class LoadLotsOfFiles(stresstesting.MantidStressTest): def __getDataFileList__(self): # get a list of directories to look in dirs = config['datasearch.directories'].split(';') dirs = [item for item in dirs if useDir(item)] print("Looking for data files in:", ', '.join(dirs)) # Files and their corresponding sizes. the low-memory win machines # fair better loading the big files first files = {} priority_abspaths = copy.deepcopy(PRIORITY_FILES) for direc in dirs: myFiles = os.listdir(direc) for filename in myFiles: (good, fullpath) = useFile(direc, filename) # print "***", good, filename if good: files[fullpath] = os.path.getsize(fullpath) try: cur_index = PRIORITY_FILES.index(filename) priority_abspaths[cur_index] = fullpath except ValueError: pass datafiles = sorted(files, key=lambda key: files[key], reverse=True) # Put the priority ones first for insertion_index, fname in enumerate(priority_abspaths): try: cur_index = datafiles.index(fname) except ValueError: continue datafiles.pop(cur_index) datafiles.insert(insertion_index, fname) return datafiles def __runExtraTests__(self, wksp, filename): """Runs extra tests that are specified in '.expected' files next to the data files""" expected = filename + EXPECTED_EXT if not os.path.exists(expected): # file exists return True if os.path.getsize(expected) <= 0: # non-zero length return True # Eval statement will use current scope. Allow access to # mantid module import mantid # noqa print("Found an expected file '%s' file" % expected) expectedfile = open(expected) tests = expectedfile.readlines() failed = [] # still run all of the tests for test in tests: test = test.strip() result = eval(test) if not result: failed.append((test, result)) if len(failed) > 0: for item in failed: print(" Failed test '%s' returned '%s' instead of 'True'" % (item[0], item[1])) return False return True def __loadAndTest__(self, filename): """Do all of the real work of loading and testing the file""" print("----------------------------------------") print("Loading '%s'" % filename) from mantid.api import Workspace # Output can be a tuple if the Load algorithm has extra output properties # but the output workspace should always be the first argument outputs = Load(filename) if isinstance(outputs, tuple): wksp = outputs[0] else: wksp = outputs if not isinstance(wksp, Workspace): print("Unexpected output type from Load algorithm: Type found=%s" % str(type(outputs))) return False if wksp is None: print('Load returned None') return False # generic checks if wksp.name() is None or len(wksp.name()) <= 0: print("Workspace does not have a name") del wksp return False wid = wksp.id() if wid is None or len(wid) <= 0: print("Workspace does not have an id") del wksp return False # checks based on workspace type if hasattr(wksp, "getNumberHistograms"): if wksp.getNumberHistograms() <= 0: print("Workspace has zero histograms") del wksp return False if "managed" not in wid.lower() and wksp.getMemorySize() <= 0: print("Workspace takes no memory: Memory used=" + str(wksp.getMemorySize())) del wksp return False # checks for EventWorkspace if hasattr(wksp, "getNumberEvents"): if wksp.getNumberEvents() <= 0: print("EventWorkspace does not have events") del wksp return False # do the extra checks result = self.__runExtraTests__(wksp, filename) # cleanup del wksp return result def runTest(self): """Main entry point for the test suite""" files = self.__getDataFileList__() # run the tests failed = [] for filename in files: try: if not self.__loadAndTest__(filename): print("FAILED TO LOAD '%s'" % filename) failed.append(filename) except Exception as e: print("FAILED TO LOAD '%s' WITH ERROR:" % filename) print(e) failed.append(filename) finally: # Clear everything for the next test FrameworkManager.Instance().clear() # final say on whether or not it 'worked' print("----------------------------------------") if len(failed) != 0: print("SUMMARY OF FAILED FILES") for filename in failed: print(filename) raise RuntimeError("Failed to load %d of %d files" % (len(failed), len(files))) else: print("Successfully loaded %d files" % len(files)) def excludeInPullRequests(self): return True
ScreamingUdder/mantid
Testing/SystemTests/tests/analysis/LoadLotsOfFiles.py
Python
gpl-3.0
12,957
[ "CASTEP", "Gaussian" ]
303efbafa5d691d270f963223db514b547717cd2acc85791d8281e24efbbc398
"""2015 SciPy John Hunter Excellence in Plotting Contest Author: Robert Nikutta <robert.nikutta@gmail.com> Title: Clustering of astronomical objects in WISE 3D color space Based on: Nikutta, Hunt-Walker, Ivezic, Nenkova, Elitzur, 'The meaning of WISE colours - I. The Galaxy and its satellites', MNRAS 442, 3361-3379 (2014) http://dx.doi.org/10.1093/mnras/stu1087 http://adsabs.harvard.edu/abs/2014MNRAS.442.3361N This stereoscopic plot (cross your eyes!) shows the distribution of different types of astronomical objects in the 3D color space of the WISE spacecraft (Wide-field Infrared Survey Explorer). Several classes of objects are identified with differently colored dots. In traditional 2D color-color plots clusters can overlap, making it difficult to identify them. A 3D color-color plot, and especially a stereoscopic view of it, provides a much more intuitive and immersive experience. Carbon-rich Asymptotic Giant Branch stars (AGB) are shown in blue. Most of them are found in the Large Magellanic Cloud. Oxygen-rich AGB stars are shown in red. Young Stellar Objects (YSO) which are surrounded by dusty shells with constant radial density profiles and small optical depths are shown in green. Both cool (~600 Kelvin) and warm (~1200 Kelvin) shells fall in this region. Warmer YSO shells of constant density fall in the the cluster of orange color, but their optical depths are also higher. Finally, small black dots show other astronomical objects in our Galaxy and its satellites which have not been associated with the other clusters. They are typically a mix of everything. Example: ------- import plot F = plot.Figure(nxpix=1920) # full HD F.make_stereoscopic_3d_scatter() # generates PNG file with default settings """ __author__ = 'Robert Nikutta <robert.nikutta@gmail.com>' __version__ = '20150412' import numpy as N import pylab as p import matplotlib from matplotlib.gridspec import GridSpec from mpl_toolkits.mplot3d import Axes3D class Figure: def __init__(self,nxpix=1280): """Generate a 3D stereoscopic view of ~15k WISE sources. Color clusters of objects differently. Parameters: ----------- nxpix : int Number of pixels of the output (PNG) file. An aspect ratio of 16:9 is assumed. """ self.dpi = 100 self.aspect = 16./9. self.ux = nxpix/float(self.dpi) self.uy = self.ux/self.aspect # Load data (WISE colors) print "Loading data..." with N.load('data.npz') as datafile: self.x, self.y, self.z = datafile['x'], datafile['y'], datafile['z'] print "Number of objects: %d" % self.x.size print "Done." def make_stereoscopic_3d_scatter(self,azimuth=-18,saveformat='png'): """Generate two panels, 5 degrees apart in azimuth. Cross eyes for stereoscopic view. Parameters: ----------- azimuth : {float,int} The azimuth angle (in degrees) at which the camera views the scene. saveformat : str Generate an output file, with the supplied azimuth in the file name. Must be either 'png' (recommended, default) or 'pdf' (will be rather slow to save). Returns: -------- Nothing, but saves an output file. """ assert (saveformat in ('png','pdf')), "saveformat must be 'png' (recommended) or 'pdf' (will be very slow to save)." filename = '3D_color_stereoscopic_az%07.2f.%s' % (azimuth,saveformat) print "Generating plot %s" % filename self.setup_figure(figsize=(self.ux,self.uy)) # width, height # left panel (=right eye) ax1 = p.subplot(self.gs3D[0],projection='3d',aspect='equal',axisbg='w') plot_scatter_3D(self.fig,ax1,1,self.x,self.y,self.z,self.uy,azimuth=azimuth) # right panel (=left eye) ax2 = p.subplot(self.gs3D[1],projection='3d',aspect='equal',axisbg='w') plot_scatter_3D(self.fig,ax2,2,self.x,self.y,self.z,self.uy,azimuth=azimuth-5) if saveformat == 'png': p.savefig(filename,dpi=100) else: p.savefig(filename) p.close() def make_movie_frames(self,azstart=1,azstop=10,azstep=1): """Helper function to generate frames (for a video) with varying azimuth angle. Parameters: ----------- azstart, azstop, azstep : float-ables The azimuth angles of first frame, last frame (approximate), and of the step size. All in degrees. All can be negative (determines direction of scene rotation) """ try: azstart = float(azstart) azstop = float(azstop) azstep = float(azstep) except ValueError: raise Exception, "azstart, azstop, azstep must be convertible to a floating point number." if azstop < azstart: azstep = -N.abs(azstep) allaz = N.arange(azstart,azstop,azstep) for j,az in enumerate(allaz): print "Generating frame file %d of %d" % (j+1,len(allaz)) self.make_stereoscopic_3d_scatter(azimuth=az) def setup_figure(self,figsize): """Set up the figure and rc params.""" self.fontsize = 2*self.uy p.rcParams['axes.labelsize'] = self.fontsize p.rcParams['font.size'] = self.fontsize p.rcParams['legend.fontsize'] = self.fontsize-2 p.rcParams['xtick.labelsize'] = self.fontsize p.rcParams['ytick.labelsize'] = self.fontsize self.fig = p.figure(figsize=figsize) # width, height 300dpi self.fig.suptitle('Clustering of astronomical objects in WISE 3D color space\n(cross your eyes for stereoscopic view)',color='k',fontsize=self.fontsize+2) # this will hold the 3D scatter plot self.gs3D = GridSpec(1,2) self.gs3D.update(left=0.02,right=0.98,bottom=0.,top=1.,wspace=0.05,hspace=0.) def plot_scatter_3D(fig,ax,sid,x,y,z,unit,azimuth=-25): # some constants lo, hi = -0.5, 4 # plotting limits s = unit/2.5 # standard marker size for scatter plot # conditions to select groups of objects coO = (x > 0.2) & (x < 2) & (y > 0.4) & (y < 2.2) & (z > 0) & (z < 1.3) & (z > 0.722*y - 0.289) # oxygen-rich AGN stars coC = (x > 0.629*y - 0.198) & (x < 0.629*y + 0.359) & (z > 0.722*y - 0.911) & (z < 0.722*y - 0.289) # carbon-rich AGN stars coCDSYSOcool = (x < 0.2) & (y < 0.4) # both cool & warm YSO shells w/ constant density profile & low optical depth coCDSYSOwarm = (x > 0.3) & (x < 1.4) & (y > 1.4) & (y < 3.5) & (z > 1.5) & (z < 2.8) # warm YSO shells w/ constant density profile and high optical depth coOTHER = ~(coO | coC | coCDSYSOcool | coCDSYSOwarm) # other/unidentified (a mix of everything) groups = [coO,coC,coCDSYSOcool,coCDSYSOwarm,coOTHER] # plot side panes marker = 'o' colors = ('r','#1A7EFF','g','#FFC81A','0.2') # red, blue, green, orange, very dark gray alphas = [0.3]*len(groups) sizes = [s,s,s,s,s/3.] # make 'other' apear a bit less prominent for j,group in enumerate(groups): cset = ax.scatter(x[group], y[group], lo, zdir='z', s=sizes[j], marker=marker, facecolors=colors[j], edgecolors=colors[j], linewidths=0., alpha=alphas[j]) cset = ax.scatter(y[group], z[group], hi, zdir='x', s=sizes[j], marker=marker, facecolors=colors[j], edgecolors=colors[j], linewidths=0., alpha=alphas[j]) cset = ax.scatter(x[group], z[group], hi, zdir='y', s=sizes[j], marker=marker, facecolors=colors[j], edgecolors=colors[j], linewidths=0., alpha=alphas[j]) # plot 3D clusters # labels = ['O-rich AGB','C-rich AGB',r'cool YSO shells, $\rho(r)$=const.',r'warm YSO shells, $\rho(r)$=const., high optical depth','other'] alphas = [0.8,0.8,0.8,0.8,0.4] # make 'other' apear a bit less prominent for j,group in enumerate(groups): ax.scatter(x[group], y[group], z[group], s=sizes[j], marker=marker, facecolors=colors[j], edgecolors='w', linewidths=0.1, alpha=alphas[j]) # generate view ax.view_init(elev=18, azim=azimuth) # per-axis settings for prop in ('w_xaxis','w_yaxis','w_zaxis'): obj = getattr(ax,prop) obj.set_pane_color((1,1,1,1.0)) obj.gridlines.set_lw(0.3) obj._axinfo.update({'grid' : {'color': (0.5,0.5,0.5,1)}}) # final touch ups ax.set_xlim(hi,lo) ax.set_ylim(lo,hi) ax.set_zlim(lo,hi) ax.set_xticks((0,1,2,3,4)) ax.set_yticks((0,1,2,3,4)) ax.set_zticks((0,1,2,3,4)) ax.set_xlabel('W1 - W2 (mag)') ax.set_ylabel('W2 - W3 (mag)') ax.set_zlabel('W3 - W4 (mag)')
rnikutta/wise3Dstereoscopic
plot.py
Python
bsd-3-clause
8,856
[ "Galaxy" ]
fbd257de313317a93bac16c380e5215a8a3458490e7c048a7048e7703fdbdfa9
"""semi-views for the `group_messaging` application These are not really views - rather context generator functions, to be used separately, when needed. For example, some other application can call these in order to render messages within the page. Notice that :mod:`urls` module decorates all these functions and turns them into complete views """ import copy import datetime from django.template.loader import get_template from django.template import Context from django.contrib.auth.models import User from django.db import models from django.forms import IntegerField from django.http import HttpResponse from django.http import HttpResponseNotAllowed from django.http import HttpResponseForbidden from django.utils import simplejson from askbot.utils.views import PjaxView from .models import Message from .models import MessageMemo from .models import SenderList from .models import LastVisitTime from .models import get_personal_group_by_user_id from .models import get_personal_groups_for_users class NewThread(PjaxView): """view for creation of new thread""" http_method_list = ('POST',) def post(self, request): """creates a new thread on behalf of the user response is blank, because on the client side we just need to go back to the thread listing view whose content should be cached in the client' """ usernames = request.POST['to_usernames'] usernames = map(lambda v: v.strip(), usernames.split(',')) users = User.objects.filter(username__in=usernames) missing = copy.copy(usernames) for user in users: if user.username in missing: missing.remove(user.username) result = dict() if missing: result['success'] = False result['missing_users'] = missing if request.user.username in usernames: result['success'] = False result['self_message'] = True if result.get('success', True): recipients = get_personal_groups_for_users(users) message = Message.objects.create_thread( sender=request.user, recipients=recipients, text=request.POST['text'] ) result['success'] = True result['message_id'] = message.id return HttpResponse(simplejson.dumps(result), content_type='application/json') class PostReply(PjaxView): """view to create a new response""" http_method_list = ('POST',) def post(self, request): parent_id = IntegerField().clean(request.POST['parent_id']) parent = Message.objects.get(id=parent_id) message = Message.objects.create_response( sender=request.user, text=request.POST['text'], parent=parent ) last_visit = LastVisitTime.objects.get( message=message.root, user=request.user ) last_visit.at = datetime.datetime.now() last_visit.save() return self.render_to_response( Context({'post': message, 'user': request.user}), template_name='group_messaging/stored_message.html' ) class ThreadsList(PjaxView): """shows list of threads for a given user""" template_name = 'group_messaging/threads_list.html' http_method_list = ('GET',) def get_context(self, request, *args): """returns thread list data""" if len(args): user = args[0] else: user = request.user #get threads and the last visit time sender_id = IntegerField().clean(request.REQUEST.get('sender_id', '-1')) if sender_id == -2: threads = Message.objects.get_threads( recipient=user, deleted=True ) elif sender_id == -1: threads = Message.objects.get_threads(recipient=user) elif sender_id == user.id: threads = Message.objects.get_sent_threads(sender=user) else: sender = User.objects.get(id=sender_id) threads = Message.objects.get_threads( recipient=user, sender=sender ) threads = threads.order_by('-last_active_at') #for each thread we need to know if there is something #unread for the user - to mark "new" threads as bold threads_data = dict() for thread in threads: thread_data = dict() #determine status thread_data['status'] = 'new' #determine the senders info senders_names = thread.senders_info.split(',') if user.username in senders_names: senders_names.remove(user.username) thread_data['senders_info'] = ', '.join(senders_names) thread_data['thread'] = thread threads_data[thread.id] = thread_data ids = [thread.id for thread in threads] counts = Message.objects.filter( id__in=ids ).annotate( responses_count=models.Count('descendants') ).values('id', 'responses_count') for count in counts: thread_id = count['id'] responses_count = count['responses_count'] threads_data[thread_id]['responses_count'] = responses_count last_visit_times = LastVisitTime.objects.filter( user=user, message__in=threads ) for last_visit in last_visit_times: thread_data = threads_data[last_visit.message_id] if thread_data['thread'].last_active_at <= last_visit.at: thread_data['status'] = 'seen' return { 'threads': threads, 'threads_count': threads.count(), 'threads_data': threads_data, 'sender_id': sender_id } class DeleteOrRestoreThread(ThreadsList): """subclassing :class:`ThreadsList`, because deletion or restoring of thread needs subsequent refreshing of the threads list""" http_method_list = ('POST',) def post(self, request, thread_id=None): """process the post request: * delete or restore thread * recalculate the threads list and return it for display by reusing the threads list "get" function """ #part of the threads list context sender_id = IntegerField().clean(request.POST['sender_id']) #a little cryptic, but works - sender_id==-2 means deleted post if sender_id == -2: action = 'restore' else: action = 'delete' thread = Message.objects.get(id=thread_id) memo, created = MessageMemo.objects.get_or_create( user=request.user, message=thread ) if action == 'delete': memo.status = MessageMemo.ARCHIVED else: memo.status = MessageMemo.SEEN memo.save() context = self.get_context(request) return self.render_to_response(Context(context)) class SendersList(PjaxView): """shows list of senders for a user""" template_name = 'group_messaging/senders_list.html' http_method_names = ('GET',) def get_context(self, request): """get data about senders for the user""" senders = SenderList.objects.get_senders_for_user(request.user) senders = senders.values('id', 'username') return {'senders': senders, 'request_user_id': request.user.id} class ThreadDetails(PjaxView): """shows entire thread in the unfolded form""" template_name = 'group_messaging/thread_details.html' http_method_names = ('GET',) def get_context(self, request, thread_id=None): """shows individual thread""" #todo: assert that current thread is the root root = Message.objects.get(id=thread_id) responses = Message.objects.filter(root__id=thread_id).order_by('sent_at') last_visit, created = LastVisitTime.objects.get_or_create( message=root, user=request.user ) root.mark_as_seen(request.user) if created is False: last_visit.at = datetime.datetime.now() last_visit.save() return { 'root_message': root, 'responses': responses, 'request': request }
jesonyang001/qarepo
askbot/deps/group_messaging/views.py
Python
gpl-3.0
9,181
[ "VisIt" ]
8df5e9d4866387eadf041c45b4dd57576c0b97d18831a551389e30c92b28d0e5
import ast import _ast from jaspyx.ast_util import ast_call, ast_load, ast_store from jaspyx.context.block import BlockContext from jaspyx.visitor import BaseVisitor class TryExcept(BaseVisitor): def visit_TryExcept(self, node): if node.orelse: raise NotImplementedError('Try-except else handler not implemented') self.indent() self.output('try') self.block(node.body, context=BlockContext(self.stack[-1])) self.output(' catch($e) ') self.push(BlockContext(self.stack[-1])) if_start = None if_end = None for handler in node.handlers: if handler.type is not None: if handler.name is not None: body = handler.body[:] body.insert(0, ast.Assign( [handler.name], ast_call(ast_load('JS'), ast.Str('$e')) )) else: body = handler.body types = [handler.type] if isinstance(handler.type, _ast.Name) else handler.type conditions = [ ast_call( ast_load('isinstance'), ast_call(ast_load('JS'), ast.Str('$e')), type_, ) for type_ in types ] _if = ast.If( ast.BoolOp(ast.Or(), conditions), body, [] ) if if_start is None: if_start = if_end = _if else: if_end.orelse, if_end = [_if], _if else: if handler is not node.handlers[-1]: raise SyntaxError("default 'except:' must be last") if if_start is None: self.block(handler.body) else: if_end.orelse = handler.body if if_start is not None: self.visit(if_start) self.pop() self.output('\n')
iksteen/jaspyx
jaspyx/visitor/tryexcept.py
Python
mit
2,092
[ "VisIt" ]
774977a67d7bfa55b3240219c9d8a35a0c8489ec768291b2a2471e1b199b7d88
import email.parser import email.policy import email.utils import typing from email.message import EmailMessage from itertools import chain from textwrap import dedent import pytest from riggerlib import recursive_update from widgetastic_patternfly import CheckableBootstrapTreeview as Check_tree from cfme import test_requirements from cfme.cloud.provider import CloudProvider from cfme.cloud.provider.azure import AzureProvider from cfme.cloud.provider.gce import GCEProvider from cfme.cloud.provider.openstack import OpenStackProvider from cfme.infrastructure.provider import InfraProvider from cfme.infrastructure.provider.scvmm import SCVMMProvider from cfme.markers.env_markers.provider import providers from cfme.utils import normalize_text from cfme.utils.appliance.implementations.ui import navigate_to from cfme.utils.blockers import BZ from cfme.utils.blockers import GH from cfme.utils.generators import random_vm_name from cfme.utils.log import logger from cfme.utils.providers import ProviderFilter from cfme.utils.update import update from cfme.utils.wait import wait_for Checker = typing.NewType('Checker', typing.Callable[[object], bool]) pytestmark = [ pytest.mark.meta(server_roles="+automate +notifier"), test_requirements.provision, pytest.mark.tier(2), pytest.mark.provider(gen_func=providers, filters=[ProviderFilter(classes=[CloudProvider, InfraProvider], required_flags=['provision'])], scope="function"), pytest.mark.usefixtures('setup_provider') ] @pytest.fixture() def vm_name(): return random_vm_name(context='prov', max_length=12) @pytest.fixture() def instance_args(request, provider, provisioning, vm_name): """ Fixture to prepare instance parameters for provisioning """ inst_args = dict(template_name=provisioning.get('image', {}).get('name') or provisioning.get( 'template')) if not inst_args.get('template_name'): pytest.skip(reason='template name not specified in the provisioning in config') # Base instance info inst_args['request'] = { 'notes': 'Testing provisioning from image {} to vm {} on provider {}' .format(inst_args.get('template_name'), vm_name, provider.key), } # Check whether auto-selection of environment is passed auto = False # By default provisioning will be manual try: parameter = request.param auto = parameter except AttributeError: # in case nothing was passed just skip pass if auto: inst_args.update({'environment': {'automatic_placement': auto}}) yield vm_name, inst_args @pytest.fixture def provisioned_instance(provider, instance_args, appliance): """ Checks provisioning status for instance """ vm_name, inst_args = instance_args collection = appliance.provider_based_collection(provider) instance = collection.create(vm_name, provider, form_values=inst_args) if not instance: raise Exception("instance returned by collection.create is 'None'") yield instance logger.info('Instance cleanup, deleting %s', instance.name) try: instance.cleanup_on_provider() except Exception as ex: logger.warning('Exception while deleting instance fixture, continuing: {}' .format(ex.message)) @pytest.mark.meta(automates=[1830305]) @pytest.mark.parametrize('instance_args', [True, False], ids=["Auto", "Manual"], indirect=True) def test_provision_from_template(provisioned_instance): """ Tests instance provision from template via CFME UI Metadata: test_flag: provision Bugzilla: 1830305 Polarion: assignee: jhenner caseimportance: critical casecomponent: Provisioning initialEstimate: 1/4h """ assert provisioned_instance.exists_on_provider, "Instance wasn't provisioned successfully" @pytest.mark.provider([GCEProvider], required_fields=[['provisioning', 'image']]) @pytest.mark.usefixtures('setup_provider') def test_gce_preemptible_provision(appliance, provider, instance_args, soft_assert): """ Polarion: assignee: jhenner caseimportance: high casecomponent: Provisioning initialEstimate: 1/6h """ vm_name, inst_args = instance_args inst_args['properties']['is_preemptible'] = True instance = appliance.collections.cloud_instances.create(vm_name, provider, form_values=inst_args) view = navigate_to(instance, "Details") preemptible = view.entities.summary("Properties").get_text_of("Preemptible") soft_assert('Yes' in preemptible, "GCE Instance isn't Preemptible") soft_assert(instance.exists_on_provider, "Instance wasn't provisioned successfully") def _post_approval(smtp_test, provision_request, vm_type, requester, provider, approved_vm_names): # requester includes the trailing space approved_subject = normalize_text(f"your {vm_type} request was approved") approved_from = normalize_text(f"{vm_type} request from {requester}was approved") wait_for_messages_with_subjects(smtp_test, {approved_subject, approved_from}, num_sec=90) smtp_test.clear_database() # Wait for the VM to appear on the provider backend before proceeding # to ensure proper cleanup logger.info('Waiting for vms %s to appear on provider %s', ", ".join(approved_vm_names), provider.key) wait_for( lambda: all(map(provider.mgmt.does_vm_exist, approved_vm_names)), handle_exception=True, num_sec=600 ) provision_request.wait_for_request(method='ui') msg = f"Provisioning failed with the message {provision_request.row.last_message.text}." assert provision_request.is_succeeded(method='ui'), msg # account for multiple vms, specific names completed_subjects = { normalize_text(f"your {vm_type} request has completed vm name {name}") for name in approved_vm_names } wait_for_messages_with_subjects(smtp_test, completed_subjects, num_sec=90) def wait_for_messages_with_subjects(smtp_test, expected_subjects_substrings, num_sec): """ This waits for all the expected subjects to be present the list of received mails with partial match. """ expected_subjects_substrings = set(expected_subjects_substrings) def _check_subjects(): subjects = {normalize_text(m["subject"]) for m in smtp_test.get_emails()} found_subjects_substrings = set() # Looking for each expected subject in the list of received subjects with partial match for expected_substring in expected_subjects_substrings: for subject in subjects: if expected_substring in subject: found_subjects_substrings.add(expected_substring) break else: logger.info('No emails with subjects containing "%s" found.', expected_substring) if expected_subjects_substrings - found_subjects_substrings: return False logger.info('Found all expected emails.') return True wait_for(_check_subjects, num_sec=num_sec, delay=3, message='Some expected subjects not found in the received emails subjects.') def multichecker_factory(all_checkers: typing.Iterable[Checker]) -> Checker: all_checkers = tuple(all_checkers) def _item_checker(item): logger.debug(f'Checking: {item}') for checker in all_checkers: if not checker(item): logger.debug(f'Failure from checker: {checker}.') return False else: logger.debug(f'Success from checker: {checker}.') return True return _item_checker class AddressHeaderChecker: def __init__(self, example: EmailMessage, checked_field: str): self.checked_field = checked_field self.example_values = self.normalized_field_vals(example) def normalized_field_vals(self, eml: EmailMessage): addresses = eml.get_all(self.checked_field) assert addresses return {a[1] for a in email.utils.getaddresses(addresses)} def __call__(self, received_email: EmailMessage) -> bool: found_values = self.normalized_field_vals(received_email) if not found_values == self.example_values: logger.debug(f"Field {self.checked_field} values {found_values} " f"are different to expected {self.example_values}.") return False return True def __str__(self): return f'{self.__class__.__name__}<{self.checked_field}, {self.example_values}>' # Note the Bcc is not present in the received email. It is a part of rcpttos. ADDRESS_FIELDS = "From To Cc rcpttos".split() def wait_for_expected_email_arrived(smtp, subject, example, num_sec, delay): eml_checker = (multichecker_factory(AddressHeaderChecker(example, field) for field in ADDRESS_FIELDS)) def _email_message_with_rcpttos_header(eml): msg = email.message_from_string(eml['data'], policy=email.policy.strict) msg.add_header('rcpttos', ', '.join(eml['rcpttos'])) return msg def _expected_email_arrived(): emails = smtp.get_emails() messages = (_email_message_with_rcpttos_header(m) for m in emails if subject in normalize_text(m['subject'])) return all(eml_checker(m) for m in messages) wait_for(_expected_email_arrived, num_sec=num_sec, delay=delay) @pytest.fixture(scope='module') def email_addresses_configuration(request, domain): original_instance = ( domain.appliance.collections.domains.instantiate("ManageIQ") .namespaces.instantiate("Configuration") .classes.instantiate("Email") .instances.instantiate("Default") ) original_instance.copy_to(domain=domain) email_configuration = ( domain.namespaces.instantiate('Configuration') .classes.instantiate('Email') .instances.instantiate('Default') ) test_data = { 'default_recipient': ('default_recipient@example.com',), 'approver': ('approver@example.com',), 'cc': ('first-cc@example.com', 'second-cc@example.com',), 'bcc': ('first-bcc@example.com', 'second-bcc@example.com'), 'from': ('from@example.com',), } with update(email_configuration): email_configuration.fields = {k: {'value': ', '.join(v)} for k, v in test_data.items()} request.addfinalizer(email_configuration.delete_if_exists) yield test_data @pytest.mark.meta(automates=[1472844, 1676910, 1818172, 1380197, 1688500, 1702304, 1783511, GH(('ManageIQ/manageiq', 20260))]) @pytest.mark.parametrize("action", ["edit", "approve", "deny"]) def test_provision_approval(appliance, provider, vm_name, smtp_test, request, action, soft_assert, email_addresses_configuration): """ Tests provisioning approval. Tests couple of things. * Approve manually * Approve by editing the request to conform Prerequisites: * A provider that can provision. * Automate role enabled * User with e-mail set so you can receive and view them Steps: * Create a provisioning request that does not get automatically approved (eg. ``num_vms`` bigger than 1) * Wait for an e-mail to come, informing you that approval is pending * Depending on whether you want to do: * approve: manually approve the request in UI * edit: Edit the request in UI so it conforms the rules for auto-approval. * deny: Deny the request in UI. * Wait for an e-mail with approval * Wait until the request finishes * Wait until an email with provisioning complete Metadata: test_flag: provision suite: infra_provisioning Polarion: assignee: jhenner caseimportance: high casecomponent: Provisioning initialEstimate: 1/8h Bugzilla: 1472844 1676910 1380197 1818172 """ # generate_tests makes sure these have values # template, host, datastore = map(provisioning.get, ('template', 'host', 'datastore')) # It will provision two of them # All the subject checks are normalized, because of newlines and capitalization vm_names = [vm_name + "001", vm_name + "002"] requester = "vm_provision@cfmeqe.com " # include trailing space for clean formatting if provider.one_of(CloudProvider): vm_type = "instance" else: vm_type = "virtual machine" collection = appliance.provider_based_collection(provider) inst_args = { 'catalog': { 'vm_name': vm_name, 'num_vms': '2' } } vm = collection.create(vm_name, provider, form_values=inst_args, wait=False) pending_subject = normalize_text(f"your {vm_type} request is pending") # requester includes the trailing space pending_from = normalize_text(f"{vm_type} request from {requester}pending approval") def msg_from_dict(msg_dict) -> EmailMessage: to, = (msg_dict['default_recipient'] if GH(('ManageIQ/manageiq', 20260)).blocks else msg_dict['approver']) msg = EmailMessage() msg.add_header('from', ', '.join(msg_dict['from'])) msg.add_header('cc', ', '.join(msg_dict['cc'])) msg.add_header('to', to) msg.add_header('rcpttos', ', '.join(chain(msg_dict['cc'], msg_dict['bcc'], [to]))) return msg wait_for_messages_with_subjects(smtp_test, {pending_subject, pending_from}, num_sec=90) SUBJ_APPR_PENDING = normalize_text(f'Instance Request from {requester} Pending Approval') wait_for_expected_email_arrived(smtp_test, SUBJ_APPR_PENDING, msg_from_dict(email_addresses_configuration), num_sec=1, delay=0) smtp_test.clear_database() cells = {'Description': f'Provision from [{vm.template_name}] to [{vm.name}###]'} def _action_edit(): # Automatic approval after editing the request to conform new_vm_name = f'{vm_name}-xx' modifications = { 'catalog': { 'num_vms': "1", 'vm_name': new_vm_name }, 'Description': f'Provision from [{vm.template_name}] to [{new_vm_name}]' } provision_request = appliance.collections.requests.instantiate(cells=cells) provision_request.edit_request(values=modifications) vm_names = [new_vm_name] # Will be just one at this moment request.addfinalizer( lambda: collection.instantiate(new_vm_name, provider).cleanup_on_provider() ) _post_approval(smtp_test, provision_request, vm_type, requester, provider, vm_names) def _action_approve(): # Manual approval provision_request = appliance.collections.requests.instantiate(cells=cells) provision_request.approve_request(method='ui', reason="Approved") for v_name in vm_names: request.addfinalizer( lambda: (appliance.collections.infra_vms.instantiate(v_name, provider) .cleanup_on_provider())) _post_approval(smtp_test, provision_request, vm_type, requester, provider, vm_names) def _action_deny(): provision_request = appliance.collections.requests.instantiate(cells=cells) provision_request.deny_request(method='ui', reason="You stink!") denied_subject = normalize_text(f"your {vm_type} request was denied") denied_from = normalize_text(f"{vm_type} request from {requester}was denied") wait_for_messages_with_subjects(smtp_test, [denied_subject, denied_from], num_sec=90) # Call function doing what is necessary -- Variation of Strategy design pattern. action_callable = locals().get(f'_action_{action}') if not action_callable: raise NotImplementedError(f'Action {action} is not known to this test.') action_callable() @test_requirements.rest @pytest.mark.parametrize('auto', [True, False], ids=["Auto", "Manual"]) @pytest.mark.meta(blockers=[ BZ(1720751, unblock=lambda provider: not provider.one_of(SCVMMProvider)) ]) def test_provision_from_template_using_rest(appliance, request, provider, vm_name, auto): """ Tests provisioning from a template using the REST API. Metadata: test_flag: provision, rest Polarion: assignee: pvala casecomponent: Provisioning caseimportance: high initialEstimate: 1/30h """ if auto: form_values = {"vm_fields": {"placement_auto": True}} else: form_values = None collection = appliance.provider_based_collection(provider) instance = collection.create_rest(vm_name, provider, form_values=form_values) wait_for( lambda: instance.exists, num_sec=1000, delay=5, message=f"VM {vm_name} becomes visible" ) @request.addfinalizer def _cleanup(): logger.info('Instance cleanup, deleting %s', instance.name) try: instance.cleanup_on_provider() except Exception as ex: logger.warning('Exception while deleting instance fixture, continuing: {}' .format(ex.message)) @pytest.fixture(scope="module") def original_request_class(appliance): return (appliance.collections.domains.instantiate(name='ManageIQ') .namespaces.instantiate(name='Cloud') .namespaces.instantiate(name='VM') .namespaces.instantiate(name='Provisioning') .namespaces.instantiate(name='StateMachines') .classes.instantiate(name='Methods')) @pytest.fixture(scope="module") def modified_request_class(request, domain, original_request_class): original_request_class.copy_to(domain) klass = (domain .namespaces.instantiate(name='Cloud') .namespaces.instantiate(name='VM') .namespaces.instantiate(name='Provisioning') .namespaces.instantiate(name='StateMachines') .classes.instantiate(name='Methods')) request.addfinalizer(klass.delete_if_exists) return klass @pytest.fixture(scope="module") def copy_domains(original_request_class, domain): methods = ['openstack_PreProvision', 'openstack_CustomizeRequest'] for method in methods: original_request_class.methods.instantiate(name=method).copy_to(domain) # Not collected for EC2 in generate_tests above @pytest.mark.meta(automates=[BZ(1713632)]) @pytest.mark.parametrize("disks", [1, 2]) @pytest.mark.provider([OpenStackProvider], required_fields=[['provisioning', 'image']]) def test_cloud_provision_from_template_with_attached_disks( appliance, request, instance_args, provider, disks, soft_assert, domain, modified_request_class, copy_domains, provisioning): """ Tests provisioning from a template and attaching disks Metadata: test_flag: provision Polarion: assignee: jhenner caseimportance: high casecomponent: Provisioning initialEstimate: 1/4h Bugzilla: 1713632 """ vm_name, inst_args = instance_args # Modify availiability_zone for Azure provider if provider.one_of(AzureProvider): recursive_update(inst_args, {'environment': {'availability_zone': provisioning("av_set")}}) device_name = "vd{}" device_mapping = [] volumes = provider.mgmt.volume_configurations(1, n=disks) @request.addfinalizer def delete_volumes(): for volume in volumes: provider.mgmt.delete_volume(volume) # Set up automate for i, volume in enumerate(volumes, 0): # note the boot_index specifies an ordering in which the disks are tried to # boot from. The value -1 means "never". device_mapping.append( {'boot_index': 0 if i == 0 else -1, 'uuid': volume, 'device_name': device_name.format(chr(ord("a") + i))}) if i == 0: provider.mgmt.capi.volumes.set_bootable(volume, True) method = modified_request_class.methods.instantiate(name="openstack_PreProvision") view = navigate_to(method, 'Details') former_method_script = view.script.get_value() disk_mapping = [] for mapping in device_mapping: one_field = dedent("""{{ :boot_index => {boot_index}, :uuid => "{uuid}", :device_name => "{device_name}", :source_type => "volume", :destination_type => "volume", :volume_size => 1, :delete_on_termination => false }}""") disk_mapping.append(one_field.format(**mapping)) volume_method = dedent(""" clone_options = {{ :image_ref => nil, :block_device_mapping_v2 => [ {} ] }} prov = $evm.root["miq_provision"] prov.set_option(:clone_options, clone_options) """) with update(method): method.script = volume_method.format(",\n".join(disk_mapping)) @request.addfinalizer def _finish_method(): with update(method): method.script = former_method_script instance = appliance.collections.cloud_instances.create(vm_name, provider, form_values=inst_args) @request.addfinalizer def delete_vm_and_wait_for_gone(): instance.cleanup_on_provider() wait_for(lambda: not instance.exists_on_provider, num_sec=180, delay=5) for volume_id in volumes: attachments = provider.mgmt.volume_attachments(volume_id) soft_assert( vm_name in attachments, 'The vm {} not found among the attachemnts of volume {}:'.format( vm_name, volume_id, attachments)) for device in device_mapping: provider_devpath = provider.mgmt.volume_attachments(device['uuid'])[vm_name] expected_devpath = '/dev/{}'.format(device['device_name']) soft_assert( provider_devpath == expected_devpath, 'Device {} is not attached to expected path: {} but to: {}'.format( device['uuid'], expected_devpath, provider_devpath)) # Not collected for EC2 in generate_tests above @pytest.mark.meta(blockers=[BZ(1746931)]) @pytest.mark.provider([OpenStackProvider], required_fields=[['provisioning', 'image']]) def test_provision_with_boot_volume(request, instance_args, provider, soft_assert, modified_request_class, appliance, copy_domains): """ Tests provisioning from a template and attaching one booting volume. Metadata: test_flag: provision, volumes Polarion: assignee: jhenner caseimportance: high casecomponent: Provisioning initialEstimate: 1/4h """ vm_name, inst_args = instance_args image = inst_args.get('template_name') volume = provider.mgmt.create_volume(1, imageRef=provider.mgmt.get_template(image).uuid) request.addfinalizer(lambda: provider.mgmt.delete_volume(volume)) # Set up automate method = modified_request_class.methods.instantiate(name="openstack_CustomizeRequest") view = navigate_to(method, 'Details') former_method_script = view.script.get_value() with update(method): method.script = dedent('''\ $evm.root["miq_provision"].set_option( :clone_options, {{ :image_ref => nil, :block_device_mapping_v2 => [{{ :boot_index => 0, :uuid => "{}", :device_name => "vda", :source_type => "volume", :destination_type => "volume", :volume_size => 1, :delete_on_termination => false }}] }} ) '''.format(volume)) @request.addfinalizer def _finish_method(): with update(method): method.script = former_method_script instance = appliance.collections.cloud_instances.create(vm_name, provider, form_values=inst_args) @request.addfinalizer def delete_vm_and_wait_for_gone(): instance.cleanup_on_provider() # To make it possible to delete the volume wait_for(lambda: not instance.exists_on_provider, num_sec=180, delay=5) request_description = f'Provision from [{image}] to [{instance.name}]' provision_request = appliance.collections.requests.instantiate(request_description) provision_request.wait_for_request(method='ui') msg = "Provisioning failed with the message {}".format( provision_request.row.last_message.text) assert provision_request.is_succeeded(method='ui'), msg soft_assert(instance.name in provider.mgmt.volume_attachments(volume)) soft_assert(provider.mgmt.volume_attachments(volume)[instance.name] == "/dev/vda") # Not collected for EC2 in generate_tests above @pytest.mark.meta(blockers=[BZ(1746931)]) @pytest.mark.provider([OpenStackProvider], required_fields=[['provisioning', 'image']]) def test_provision_with_additional_volume(request, instance_args, provider, small_template, soft_assert, modified_request_class, appliance, copy_domains): """ Tests provisioning with setting specific image from AE and then also making it create and attach an additional 3G volume. Metadata: test_flag: provision, volumes Polarion: assignee: jhenner caseimportance: high casecomponent: Provisioning initialEstimate: 1/4h """ vm_name, inst_args = instance_args # Set up automate method = modified_request_class.methods.instantiate(name="openstack_CustomizeRequest") try: image_id = provider.mgmt.get_template(small_template.name).uuid except KeyError: pytest.skip("No small_template in provider data!") view = navigate_to(method, 'Details') former_method_script = view.script.get_value() with update(method): method.script = dedent('''\ $evm.root["miq_provision"].set_option( :clone_options, {{ :image_ref => nil, :block_device_mapping_v2 => [{{ :boot_index => 0, :uuid => "{}", :device_name => "vda", :source_type => "image", :destination_type => "volume", :volume_size => 3, :delete_on_termination => false }}] }} ) '''.format(image_id)) @request.addfinalizer def _finish_method(): with update(method): method.script = former_method_script def cleanup_and_wait_for_instance_gone(): instance.mgmt.refresh() prov_instance_raw = instance.mgmt.raw instance_volumes = getattr(prov_instance_raw, 'os-extended-volumes:volumes_attached') instance.cleanup_on_provider() wait_for(lambda: not instance.exists_on_provider, num_sec=180, delay=5) # Delete the volumes. for volume in instance_volumes: provider.mgmt.delete_volume(volume['id']) instance = appliance.collections.cloud_instances.create( vm_name, provider, form_values=inst_args) request.addfinalizer(cleanup_and_wait_for_instance_gone) request_description = f'Provision from [{small_template.name}] to [{instance.name}]' provision_request = appliance.collections.requests.instantiate(request_description) try: provision_request.wait_for_request(method='ui') except Exception as e: logger.info( f"Provision failed {e}: {provision_request.request_state}") raise assert provision_request.is_succeeded(method='ui'), ( "Provisioning failed with the message {}".format( provision_request.row.last_message.text)) instance.mgmt.refresh() prov_instance_raw = instance.mgmt.raw assert hasattr(prov_instance_raw, 'os-extended-volumes:volumes_attached') volumes_attached = getattr(prov_instance_raw, 'os-extended-volumes:volumes_attached') assert len(volumes_attached) == 1 volume_id = volumes_attached[0]["id"] assert provider.mgmt.volume_exists(volume_id) volume = provider.mgmt.get_volume(volume_id) assert volume.size == 3 @test_requirements.tag def test_provision_with_tag(appliance, vm_name, tag, provider, request): """ Tests tagging instance using provisioning dialogs. Steps: * Open the provisioning dialog. * Apart from the usual provisioning settings, pick a tag. * Submit the provisioning request and wait for it to finish. * Visit instance page, it should display the selected tags Metadata: test_flag: provision Polarion: assignee: anikifor casecomponent: Tagging initialEstimate: 1/4h """ inst_args = {'purpose': { 'apply_tags': Check_tree.CheckNode( [f'{tag.category.display_name} *', tag.display_name])}} collection = appliance.provider_based_collection(provider) instance = collection.create(vm_name, provider, form_values=inst_args) request.addfinalizer(instance.cleanup_on_provider) assert tag in instance.get_tags(), 'Provisioned instance does not have expected tag' @pytest.mark.tier(2) @test_requirements.multi_region @test_requirements.provision @pytest.mark.long_running def test_provision_from_template_from_global_region(setup_multi_region_cluster, multi_region_cluster, activate_global_appliance, setup_remote_provider, provisioned_instance): """ Polarion: assignee: tpapaioa caseimportance: high casecomponent: Provisioning initialEstimate: 1/10h """ assert provisioned_instance.exists_on_provider, "Instance wasn't provisioned successfully" @pytest.mark.manual @pytest.mark.meta(coverage=[1670327]) def test_provision_service_dialog_details(): """ Test whether the details of provision request can be displayed. Prerequisities: * A Local/Global replicated CFMEs. * A provider that can provision. Steps: * Add repository and create a service catalog with a dialog at remote region * Try provisioning the catalog from Global Region * You can see the dialog details in Services -> Requests page Expected results: The dialog details at Services -> Requests should be displayed when ordering the catalog from the Global Region Polarion: assignee: jhenner caseimportance: medium casecomponent: Provisioning initialEstimate: 1/6h """ pass
nachandr/cfme_tests
cfme/tests/cloud_infra_common/test_provisioning.py
Python
gpl-2.0
31,446
[ "VisIt" ]
7bfac3137746887a6cc62903737debb677a5c28931d4abdebcce0ac2603a4acb
# coding: utf-8 """ Vericred API Vericred's API allows you to search for Health Plans that a specific doctor accepts. ## Getting Started Visit our [Developer Portal](https://developers.vericred.com) to create an account. Once you have created an account, you can create one Application for Production and another for our Sandbox (select the appropriate Plan when you create the Application). ## SDKs Our API follows standard REST conventions, so you can use any HTTP client to integrate with us. You will likely find it easier to use one of our [autogenerated SDKs](https://github.com/vericred/?query=vericred-), which we make available for several common programming languages. ## Authentication To authenticate, pass the API Key you created in the Developer Portal as a `Vericred-Api-Key` header. `curl -H 'Vericred-Api-Key: YOUR_KEY' "https://api.vericred.com/providers?search_term=Foo&zip_code=11215"` ## Versioning Vericred's API default to the latest version. However, if you need a specific version, you can request it with an `Accept-Version` header. The current version is `v3`. Previous versions are `v1` and `v2`. `curl -H 'Vericred-Api-Key: YOUR_KEY' -H 'Accept-Version: v2' "https://api.vericred.com/providers?search_term=Foo&zip_code=11215"` ## Pagination Endpoints that accept `page` and `per_page` parameters are paginated. They expose four additional fields that contain data about your position in the response, namely `Total`, `Per-Page`, `Link`, and `Page` as described in [RFC-5988](https://tools.ietf.org/html/rfc5988). For example, to display 5 results per page and view the second page of a `GET` to `/networks`, your final request would be `GET /networks?....page=2&per_page=5`. ## Sideloading When we return multiple levels of an object graph (e.g. `Provider`s and their `State`s we sideload the associated data. In this example, we would provide an Array of `State`s and a `state_id` for each provider. This is done primarily to reduce the payload size since many of the `Provider`s will share a `State` ``` { providers: [{ id: 1, state_id: 1}, { id: 2, state_id: 1 }], states: [{ id: 1, code: 'NY' }] } ``` If you need the second level of the object graph, you can just match the corresponding id. ## Selecting specific data All endpoints allow you to specify which fields you would like to return. This allows you to limit the response to contain only the data you need. For example, let's take a request that returns the following JSON by default ``` { provider: { id: 1, name: 'John', phone: '1234567890', field_we_dont_care_about: 'value_we_dont_care_about' }, states: [{ id: 1, name: 'New York', code: 'NY', field_we_dont_care_about: 'value_we_dont_care_about' }] } ``` To limit our results to only return the fields we care about, we specify the `select` query string parameter for the corresponding fields in the JSON document. In this case, we want to select `name` and `phone` from the `provider` key, so we would add the parameters `select=provider.name,provider.phone`. We also want the `name` and `code` from the `states` key, so we would add the parameters `select=states.name,states.code`. The id field of each document is always returned whether or not it is requested. Our final request would be `GET /providers/12345?select=provider.name,provider.phone,states.name,states.code` The response would be ``` { provider: { id: 1, name: 'John', phone: '1234567890' }, states: [{ id: 1, name: 'New York', code: 'NY' }] } ``` ## Benefits summary format Benefit cost-share strings are formatted to capture: * Network tiers * Compound or conditional cost-share * Limits on the cost-share * Benefit-specific maximum out-of-pocket costs **Example #1** As an example, we would represent [this Summary of Benefits &amp; Coverage](https://s3.amazonaws.com/vericred-data/SBC/2017/33602TX0780032.pdf) as: * **Hospital stay facility fees**: - Network Provider: `$400 copay/admit plus 20% coinsurance` - Out-of-Network Provider: `$1,500 copay/admit plus 50% coinsurance` - Vericred's format for this benefit: `In-Network: $400 before deductible then 20% after deductible / Out-of-Network: $1,500 before deductible then 50% after deductible` * **Rehabilitation services:** - Network Provider: `20% coinsurance` - Out-of-Network Provider: `50% coinsurance` - Limitations & Exceptions: `35 visit maximum per benefit period combined with Chiropractic care.` - Vericred's format for this benefit: `In-Network: 20% after deductible / Out-of-Network: 50% after deductible | limit: 35 visit(s) per Benefit Period` **Example #2** In [this other Summary of Benefits &amp; Coverage](https://s3.amazonaws.com/vericred-data/SBC/2017/40733CA0110568.pdf), the **specialty_drugs** cost-share has a maximum out-of-pocket for in-network pharmacies. * **Specialty drugs:** - Network Provider: `40% coinsurance up to a $500 maximum for up to a 30 day supply` - Out-of-Network Provider `Not covered` - Vericred's format for this benefit: `In-Network: 40% after deductible, up to $500 per script / Out-of-Network: 100%` **BNF** Here's a description of the benefits summary string, represented as a context-free grammar: ``` root ::= coverage coverage ::= (simple_coverage | tiered_coverage) (space pipe space coverage_modifier)? tiered_coverage ::= tier (space slash space tier)* tier ::= tier_name colon space (tier_coverage | not_applicable) tier_coverage ::= simple_coverage (space (then | or | and) space simple_coverage)* tier_limitation? simple_coverage ::= (pre_coverage_limitation space)? coverage_amount (space post_coverage_limitation)? (comma? space coverage_condition)? coverage_modifier ::= limit_condition colon space (((simple_coverage | simple_limitation) (semicolon space see_carrier_documentation)?) | see_carrier_documentation | waived_if_admitted | shared_across_tiers) waived_if_admitted ::= ("copay" space)? "waived if admitted" simple_limitation ::= pre_coverage_limitation space "copay applies" tier_name ::= "In-Network-Tier-2" | "Out-of-Network" | "In-Network" limit_condition ::= "limit" | "condition" tier_limitation ::= comma space "up to" space (currency | (integer space time_unit plural?)) (space post_coverage_limitation)? coverage_amount ::= currency | unlimited | included | unknown | percentage | (digits space (treatment_unit | time_unit) plural?) pre_coverage_limitation ::= first space digits space time_unit plural? post_coverage_limitation ::= (((then space currency) | "per condition") space)? "per" space (treatment_unit | (integer space time_unit) | time_unit) plural? coverage_condition ::= ("before deductible" | "after deductible" | "penalty" | allowance | "in-state" | "out-of-state") (space allowance)? allowance ::= upto_allowance | after_allowance upto_allowance ::= "up to" space (currency space)? "allowance" after_allowance ::= "after" space (currency space)? "allowance" see_carrier_documentation ::= "see carrier documentation for more information" shared_across_tiers ::= "shared across all tiers" unknown ::= "unknown" unlimited ::= /[uU]nlimited/ included ::= /[iI]ncluded in [mM]edical/ time_unit ::= /[hH]our/ | (((/[cC]alendar/ | /[cC]ontract/) space)? /[yY]ear/) | /[mM]onth/ | /[dD]ay/ | /[wW]eek/ | /[vV]isit/ | /[lL]ifetime/ | ((((/[bB]enefit/ plural?) | /[eE]ligibility/) space)? /[pP]eriod/) treatment_unit ::= /[pP]erson/ | /[gG]roup/ | /[cC]ondition/ | /[sS]cript/ | /[vV]isit/ | /[eE]xam/ | /[iI]tem/ | /[sS]tay/ | /[tT]reatment/ | /[aA]dmission/ | /[eE]pisode/ comma ::= "," colon ::= ":" semicolon ::= ";" pipe ::= "|" slash ::= "/" plural ::= "(s)" | "s" then ::= "then" | ("," space) | space or ::= "or" and ::= "and" not_applicable ::= "Not Applicable" | "N/A" | "NA" first ::= "first" currency ::= "$" number percentage ::= number "%" number ::= float | integer float ::= digits "." digits integer ::= /[0-9]/+ (comma_int | under_int)* comma_int ::= ("," /[0-9]/*3) !"_" under_int ::= ("_" /[0-9]/*3) !"," digits ::= /[0-9]/+ ("_" /[0-9]/+)* space ::= /[ \t]/+ ``` OpenAPI spec version: 1.0.0 Generated by: https://github.com/swagger-api/swagger-codegen.git Licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at http://www.apache.org/licenses/LICENSE-2.0 Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. """ from __future__ import absolute_import import os import sys import unittest import vericred_client from vericred_client.rest import ApiException from vericred_client.models.zip_county import ZipCounty class TestZipCounty(unittest.TestCase): """ ZipCounty unit test stubs """ def setUp(self): pass def tearDown(self): pass def testZipCounty(self): """ Test ZipCounty """ model = vericred_client.models.zip_county.ZipCounty() if __name__ == '__main__': unittest.main()
vericred/vericred-python
test/test_zip_county.py
Python
apache-2.0
9,981
[ "VisIt" ]
86ed183e6c519289a4988b7f891d103097d8b2c0c30e119a4168f707378dff80
#!/usr/bin/env python """ Michael Lerner's hbond analysis, modified by Steve Spronk Right now, just handles pasting together ptraj output. """ import copy,pprint,os,sys from scipy import sqrt from string import ascii_letters from .hbond_tool_utils import * class Atom: def __init__(self, atom_name = None, resi_name = None, resi_num = None): """ Solvent atoms will have atom OW or HW and resi WAT. """ self.atom_name = atom_name self.resi_name = resi_name self.resi_num = resi_num def __eq__(self, other): return self.atom_name == other.atom_name and \ self.resi_name == other.resi_name and \ self.resi_num == other.resi_num def __ne__(self, other): return not (self == other) class HBond: """ Class to provide a mechanism for handing data contained in the output from ptraj """ # --------------- # Initializations # --------------- def __init__(self, line = None, segment_size = 1000, resi_map = None): ''' Initialize ourself from a line that looks like this: DONOR ACCEPTORH ACCEPTOR atom# :res@atom atom# :res@atom atom# :res@atom %occupied distance angle lifetime maxocc | 2546 :160@OA23| 1018 :63@HG 1017 :63@OG | 99.50 2.641 ( 0.10) 20.89 ( 9.75) 100.0 ( 47.0) 147 |@@@*@@@@@| | 2545 :160@OA22| 705 :44@HH22 703 :44@NH2 | 98.51 2.756 (10.09) 17.97 (19.79) 99.0 (127.0) 126 |*@@@*@@@@| | solvent donor | 127 :9@HD21 126 :9@ND2 | 2.00 3.193 ( 0.00) 46.59 ( 0.01) 2.0 ( 0.0) 1 | . | | 5612 :361@OG | solvent acceptor | 2.00 2.915 ( 0.00) 11.31 ( 0.00) 2.0 ( 0.0) 1 | . | The numbers in parentheses are standard deviations. Here is a note from cheatham (http://amber.scripps.edu/Questions/mail/322.html):: The maxocc is the maximum number of consecutive frames that the interaction is found in the trajectory (i.e. 39 consecutive frames). The lifetime is the average time an interaction occurred... For example, assume that each space below represents 1ps and a star means it is occupied: 10 20 30 40 50 ***** ***** ********** *****| The occupancy would be 5 + 5 + 10 + 5 / 50 or 50% The maxocc would be 10 The lifetime would be 5 + 5 + 10 + 5 / 4 = 6.25 ps (assuming 1 ps between frames; the time per frame can be specified on the hbond command line) Adding hbonds only works for some attributes (occupancy, distance, distance standard deviation, angle, angle standard deviation, and graph). But because we have split the trajectory into segments, the lifetime and maxocc are not truly a reflection of the H-bonds across the whole trajectory. Therefore the manipulation of lifetime and maxocc data are not implemented in the current version of hbond_analysis. ''' # num_frames tells us how many frames have been added together. self.num_frames = segment_size if line is None: self.donor = Atom() self.acceptorh = Atom() self.acceptor = Atom() self.occ_pct = self.occ_num = self.dist = self.dist_stdev = self.angle = self.angle_stdev = 0.0 self.graph = ' ' return line = line.strip() try: leading_junk, donor, acceptor, stats, graph, trailing_junk = line.split('|') except ValueError: print("Could not hbond", line) raise # Parse line: self.donor = self._ptraj_hbond_chunk_to_atom(donor, resi_map) self.acceptorh = self._ptraj_hbond_chunk_to_atom(' '.join(acceptor.split()[:2]), resi_map) self.acceptor = self._ptraj_hbond_chunk_to_atom(' '.join(acceptor.split()[2:]), resi_map) occ_pct,dist = stats.split('(')[0].strip().split() dist_stdev = stats.split('(')[1].split(')')[0].strip() angle = stats.split(')')[1].split('(')[0].strip() angle_stdev = stats.split('(')[2].split(')')[0].strip() # Make necessary type adjustments and calculations self.occ_pct,self.dist,self.dist_stdev,self.angle,self.angle_stdev = [float(i) for i in (occ_pct,dist,dist_stdev,angle,angle_stdev)] self.graph = graph self.occ_num = int(round(self.occ_pct / 100.0 * self.num_frames)) if self.occ_num < 2: self.dist_stdev = self.angle_stdev = 0.0 self.straight_from_ptraj = True def _ptraj_hbond_chunk_to_atom(self, chunk, resi_map = None): ''' chunk is something like " 2546 :160@OA23 " ''' if chunk.strip() in ('solvent donor', ''): return Atom(atom_name = 'OW', resi_name = 'Wat', resi_num = 999999) elif chunk.strip() == 'solvent acceptor': return Atom(atom_name = 'HW', resi_name = 'Wat', resi_num = 999999) else: resi_name = chunk.split(':')[1].split('@')[0].strip() if resi_map != None: resi_name = resi_map[int(resi_name)] try: resi_num = int(resi_name) # no aa code except ValueError: if resi_name[1] in ascii_letters: # 3-letter aa code resi_num = int(resi_name[3:]) else: # 1-letter aa code resi_num = int(resi_name[1:]) else: resi_num = int(resi_name) atom_name = chunk.split(':')[1].split('@')[1].strip() return Atom(atom_name, resi_name, resi_num) def init_from_atomstr(self, s, segment_size = 1000): ''' atomstr looks like what is returned by self._atom_str: 102 NH1--HH11 ... O 88 Tyr71 OH--HH ... OG1 Asp228 ''' a_resi, a_atom, ah_atom, dots, d_atom, d_resi = s.replace('--',' ').split() if a_resi == 'Wat': a_resi_num = 999999 else: try: a_resi_num = int(a_resi) # no aa code except ValueError: if a_resi[1] in ascii_letters: # 3-letter aa code a_resi_num = int(a_resi[3:]) else: # 1-letter aa code a_resi_num = int(a_resi[1:]) if d_resi == 'Wat': # Same for donor atom d_resi_num = 999999 else: try: d_resi_num = int(d_resi) except ValueError: if d_resi[1] in ascii_letters: d_resi_num = int(d_resi[3:]) else: d_resi_num = int(d_resi[1:]) self.donor = Atom( d_atom, d_resi, d_resi_num) self.acceptor = Atom( a_atom, a_resi, a_resi_num) self.acceptorh = Atom(ah_atom, a_resi, a_resi_num) # H is always in same residue as heavy atom it's bonded to self.num_frames = segment_size self.occ_num = 0 self.occ_pct = self.dist = self.dist_stdev = self.angle = self.angle_stdev = 0.0 self.graph = ' ' self.straight_from_ptraj = True def init_from_str(self, s): """ str looks like what is output by __str__ : Lys142 NZ--HZ3 ... OE1 Glu134 27.80( 2500) |--... .*-.|oo---x- - | or what is output by _attr_str: Lys142 NZ--HZ3 ... OE1 Glu134 27.80( 2500) 2.850(0.17) 29.14(15.66) |--... .*-.|oo---x- - | """ atom_str_len = 34 hbond_name = s[:atom_str_len].strip() hbond_attr = s[atom_str_len:].strip() # Take care of Atoms first self.init_from_atomstr(hbond_name) # Then take care of attributes try: attr_list = hbond_attr.split(')') # Attributes from __str__ self.occ_pct = float(attr_list[0].split('(')[0]) self.num_frames = int(attr_list[0].split('(')[1]) self.graph = attr_list[-1].strip()[1:-1] # The [1:-1] takes care of leading and trailing '|' # If present, attributes from _attr_str attr_list = attr_list[1:-1] if attr_list != []: self.dist = float(attr_list[0].split('(')[0]) self.dist_stdev = float(attr_list[0].split('(')[1]) self.angle = float(attr_list[1].split('(')[0]) self.angle_stdev = float(attr_list[1].split('(')[1]) except: print("String could not be converted to hbond:", s) raise self.occ_num = int(round(self.occ_pct / 100.0 * self.num_frames)) self.straight_from_ptraj = False # --------------- # Representations # --------------- def __str__(self): return self._atom_str() + ' ' + self._occ_graph_str() def _atom_str(self): """ Returns the atoms identifying the Hbond as a formatted string. Examples: 102 NH1--HH11 ... O 88 Tyr71 OH--HH ... OG1 Asp228 """ spaces = (7 - len(self.acceptor.resi_name)) * ' ' bond_string = spaces + self.acceptor.resi_name acceptor_str = "%s--%s"%(self.acceptor.atom_name, self.acceptorh.atom_name) spaces = (10 - len(acceptor_str)) * ' ' bond_string += spaces + acceptor_str + " ... " spaces = (5 - len(self.donor.atom_name)) * ' ' bond_string += self.donor.atom_name + spaces spaces = (7 - len(self.donor.resi_name)) * ' ' return bond_string + self.donor.resi_name + spaces def _attr_str(self): """ Returns the attributes in a formatted string. """ return "%6.2f(%5s)%6.3f(%4.2f)%6.2f(%5.2f) |%s|"\ %(self.occ_pct, self.num_frames, self.dist, self.dist_stdev, self.angle, self.angle_stdev, self.graph,) def _occ_graph_str(self): """ Returns the occupancy, count, and graph in a formatted string. """ return "%6.2f(%5s) |%s|"%(self.occ_pct, self.num_frames, self.graph) __repr__ = __str__ # ---------- # Operations # ---------- def __add__(self,other): """ Combines the statistics of two hbonds. The new number of frames, number of occupied frames, occupancy percentage, distance, angle, distance standard deviation, angle standard devation, and graph are all accurately calculated. A note on the standard deviation calculations: ptraj calculates sigma as the standard deviation (which has N in the denominator). This is not strictly correct, as this formula only holds true if we know all of the data. However, we know that our data only contains a sampling from the actual ensemble, so it we should use the estimated population standard deviation (S) of the statistics, which has N-1 in the denominator of the calculation. """ if not isinstance(self, type(other)): raise Exception('Cannot add hbond to non-hbond %s object: %s'%(type(other),other)) if self._atom_str() != other._atom_str(): raise Exception('Can only add hbonds with the same donors and acceptors\n' \ '%s != %s'%(self._atom_str(),other._atom_str())) result = HBond() result.donor = Atom(self.donor.atom_name, self.donor.resi_name, self.donor.resi_num) result.acceptor = Atom(self.acceptor.atom_name, self.acceptor.resi_name, self.acceptor.resi_num) result.acceptorh = Atom(self.acceptorh.atom_name, self.acceptor.resi_name, self.acceptor.resi_num) result.num_frames = self.num_frames + other.num_frames sep = '|' result.graph = self.graph + sep + other.graph result.occ_num = self.occ_num + other.occ_num result.occ_pct = result.occ_num * 100.0 / result.num_frames result.straight_from_ptraj = False if result.occ_num > 0: result.dist = (self.occ_num * self.dist + other.occ_num * other.dist ) / result.occ_num result.angle = (self.occ_num * self.angle + other.occ_num * other.angle) / result.occ_num # It's relatively complicated to calculate the new standard deviation. See my Notebook 3, # pp. 72-4 for the derivation. We must make a distinction on whether or not the data is # straight from the ptraj files, because when we are looking at the data from ptraj # (straight_from_ptraj = True) the std. dev. is actually sigma as opposed to S, the estimated # standard deviation of the population. In practice, these values are close (for relatively # large N), but I want to be precise with my statistics. if result.occ_num == 1: result.dist_stdev = result.angle_stdev = 0.0 else: dist_sumsq = angle_sumsq = 0.0 if self.straight_from_ptraj: dist_sumsq += self.dist_stdev * self.dist_stdev * self.occ_num + \ self.dist * self.dist * self.occ_num angle_sumsq += self.angle_stdev * self.angle_stdev * self.occ_num + \ self.angle * self.angle * self.occ_num else: dist_sumsq += self.dist_stdev * self.dist_stdev * (self.occ_num - 1) + \ self.dist * self.dist * self.occ_num angle_sumsq += self.angle_stdev * self.angle_stdev * (self.occ_num - 1) + \ self.angle * self.angle * self.occ_num if other.straight_from_ptraj: dist_sumsq += other.dist_stdev * other.dist_stdev * other.occ_num + \ other.dist * other.dist * other.occ_num angle_sumsq += other.angle_stdev * other.angle_stdev * other.occ_num + \ other.angle * other.angle * other.occ_num else: dist_sumsq += other.dist_stdev * other.dist_stdev * (other.occ_num - 1) + \ other.dist * other.dist * other.occ_num angle_sumsq += other.angle_stdev * other.angle_stdev * (other.occ_num - 1) + \ other.angle * other.angle * other.occ_num result.dist_stdev = sqrt((dist_sumsq - result.occ_num*result.dist *result.dist ) / (result.occ_num - 1)) result.angle_stdev = sqrt((angle_sumsq - result.occ_num*result.angle *result.angle ) / (result.occ_num - 1)) #else: # result.dist = result.dist_stdev = result.angle = result.angle_stdev = 0.0 return result def compress_graph(self): """ Compresses the graph of a trajectory into one half the size. Each pair of characters is replaced by a single character that is representative of the percentage of occupancy for the union of the two segments. Unfortunately, the actual occupancy percentage of the union can not be absolutely determined from the two symbols of the graph, so the new graph may not be precise. See my Notebook 3, pp. 78-79 for a detailed analysis of how I determined how two symbols should be combined. """ graph_sections = self.graph.split('|') new_graph = '' for graph_num in range(len(graph_sections)): for i in range(0, 10, 2): pair = graph_sections[graph_num][i:i+2] if pair[0] == pair[1]: new_graph += pair[0] elif pair == ' .' or pair == '. ': new_graph += '.' elif pair == ' -' or pair == '- ': new_graph += '.' elif pair == ' o' or pair == 'o ': new_graph += '-' elif pair == ' x' or pair == 'x ': new_graph += '-' elif pair == ' *' or pair == '* ': new_graph += 'o' elif pair == ' @' or pair == '@ ': new_graph += 'o' elif pair == '.-' or pair == '-.': new_graph += '-' elif pair == '.o' or pair == 'o.': new_graph += '-' elif pair == '.x' or pair == 'x.': new_graph += 'o' elif pair == '.*' or pair == '*.': new_graph += 'o' elif pair == '.@' or pair == '@.': new_graph += 'o' elif pair == '-o' or pair == 'o-': new_graph += 'o' elif pair == '-x' or pair == 'x-': new_graph += 'o' elif pair == '-*' or pair == '*-': new_graph += 'o' elif pair == '-@' or pair == '@-': new_graph += 'x' elif pair == 'ox' or pair == 'xo': new_graph += 'o' elif pair == 'o*' or pair == '*o': new_graph += 'x' elif pair == 'o@' or pair == '@o': new_graph += 'x' elif pair == 'x*' or pair == '*x': new_graph += 'x' elif pair == 'x@' or pair == '@x': new_graph += '*' elif pair == '*@' or pair == '@*': new_graph += '*' if graph_num % 2 == 1: new_graph += '|' if new_graph[-1] == '|': self.graph = new_graph[:-1] else: self.graph = new_graph # ------ End class HBond ---- def hbond_lines(lines): reading = False for line in lines: if line.strip() == ' atom# :res@atom atom# :res@atom atom# :res@atom %occupied distance angle lifetime maxocc'.strip(): reading = True if not reading or line.strip().startswith('atom') or not line.replace('-','').strip(): continue yield line def hbonds_from_ptraj(f, segment_size = 1000, resi_map = None): return [HBond(line, segment_size, resi_map) for line in hbond_lines(f)] def is_resinum_of_interest(hbond, criteria = ['all']): """ Tells us if a hbond has a residue number among those we want to view """ if 'all' in criteria: return True if hbond.donor.resi_num in criteria or hbond.acceptor.resi_num in criteria: return True else: return False def is_atom_of_interest(hbond, criteria = ['all']): """ Tells us if an hbond has an atom type among those we want to view """ if 'all' in criteria: return True if 'protein_only' in criteria: if hbond.donor.atom_name == 'OW' or hbond.acceptor.atom_name == 'OW': return False else: return True if 'bb_only' in criteria: if hbond.donor.atom_name == 'O' and hbond.acceptor.atom_name == 'N': return True if 'not_bb' in criteria: if hbond.donor.atom_name != 'O' or hbond.acceptor.atom_name != 'N': return True if hbond.donor.atom_name in criteria or \ hbond.acceptor.atom_name in criteria or \ hbond.acceptorh.atom_name in criteria: return True else: return False def combine_hbonds(hbond_files, segment_size = 1000, resi_map = None, output_file = None, resi_criteria = ['all'], atom_criteria = ['all'], occ_thresh = 0.0, occ_graph_only = False, hbond_data_dir = None): """ Reads through a set of files that have been output by ptraj and compiles all the data. hbond_files: the hbond_files output from ptraj to be combined. segment_size: the number of frames included in each segment of the trajectory. (default: 1000) resi_map: a dictionary mapping the name of each residue onto the residue number. If 'None,' the residue name will simply be the number. (default: None) output_file: the name of the output file. If None, the results will be written to stdout. (default: None) resi_criteria: a list containing residue number criteria to include in the output. (default: ['all']) atom_criteria: a list containing atom name criteria to include in the output. (default: ['all']) occ_thresh: the minimum occupancy threshold that the hbonds must have to be reported. (default: 0.0) occ_graph_only: if True, only the atom string, occupancy, and graph of each hbond will be written to output. (default: False) hbond_data_dir: the directory that contains the hbond data files. If 'None,' the file names will be used without modification, and the output will be written to the current directory. (default: None) """ # Do error checking of file names files_to_remove = [] for each_file in hbond_files: if hbond_data_dir != None: full_file = os.path.join(hbond_data_dir, each_file) else: full_file = each_file if not os.path.exists(full_file): print('Warning: File ' + full_file + ' does not exist.\n' + \ ' Will be ignored.') files_to_remove.append(each_file) for each_file in files_to_remove: hbond_files.remove(each_file) if len(hbond_files) == 0: sys.exit('ERROR: No input files provided.\n') # Create list of hbonds in each file, and a master hbond dict hbonds_from_file = {} # {filename: list of hbond objects} combined_hbonds = {} # {hbond string: hbond object} for each_file in hbond_files: if hbond_data_dir != None: hbond_file = os.path.join(hbond_data_dir, each_file) else: hbond_file = each_file try: hbond_f = file(hbond_file) except: sys.exit('ERROR: Could not open ' + hbond_file + '.\n') hbonds_from_file[each_file] = hbonds_from_ptraj(hbond_f, segment_size, resi_map) for hbond in hbonds_from_file[each_file]: combined_hbonds[hbond._atom_str()] = None # Run through the master hbond dict, and find out the missing hbonds # in each file. If any are missing, create an hbond with no occupancy. for each_file in hbond_files: for hbond_str in combined_hbonds: found = False for hbond in hbonds_from_file[each_file]: if hbond._atom_str() == hbond_str: found = True break if not found: hbond = HBond() hbond.init_from_atomstr(hbond_str, segment_size) hbonds_from_file[each_file].append(hbond) # Do the addition of the hbonds from each file to create the # final combined hbond object. for hbond in hbonds_from_file[hbond_files[0]]: combined_hbonds[hbond._atom_str()] = hbond for each_file in hbond_files[1:]: for hbond in hbonds_from_file[each_file]: combined_hbonds[hbond._atom_str()] = combined_hbonds[hbond._atom_str()] + hbond # Write output to file or stdout output = [] for hbond in list(combined_hbonds.values()): if is_resinum_of_interest(hbond, resi_criteria) and \ is_atom_of_interest(hbond, atom_criteria) and \ hbond.occ_pct > occ_thresh: if not occ_graph_only: output.append((hbond.occ_pct, hbond._atom_str() + ' ' + hbond._attr_str())) else: output.append((hbond.occ_pct, str(hbond))) output.sort() output.reverse() output = [o[1] for o in output] output_str = '\n'.join(output) if hbond_data_dir == None: output_dir = '.' else: output_dir = hbond_data_dir if output_file == None: print(output_str) else: try: output_file = os.path.join(output_dir, output_file) output_f = file(output_file, 'w') except IOError: print('Warning: Could not open ' + output_file + '.\n') print(output_str) else: output_f.write(output_str + '\n') output_f.close() def subset_hbonds(hbond_file, output_file = None, resi_criteria = ['all'], atom_criteria = ['all'], occ_thresh = 0.0, occ_graph_only = False, sort = 'occ_pct', compress = False, hbond_data_dir = None): """ Following combination of hbonds by combine_hbond(), this function can be used to write to stdout or a file only a subset of all the data present. hbond_file: the hbond file with data to be analyzed. output_file: the name of the output file. If None, the results will be written to stdout. (default: None) resi_criteria: a list containing residue number criteria to include in the output. (default: ['all']) atom_criteria: a list containing atom name criteria to include in the output. (default: ['all']) occ_thresh: the minimum occupancy threshold that the hbonds must have to be reported. (default: 0.0) occ_graph_only: if True, only the atom string, occupancy, and graph of each hbond will be written to output. (default: False) sort: one of 'occ_pct', 'donor', 'acceptor', 'dist', or 'angle' that indicates how to sort the output. (default: occ_pct) compress: if True, the graphs will be compressed by compress_graph(). (default: False) hbond_data_dir: the directory that contains the hbond data files. If 'None,' the file names will be used without modification, and the output will be written to the current directory. (default: None) """ # Do error checking of file names. if not hbond_file: sys.exit('ERROR: No input file provided.\n') if isinstance(hbond_file, type([])): if len(hbond_file) > 1: print('Warning: More than 1 input file provided.\n' + \ ' Will only use first one: ' + hbond_file[0]) hbond_file = hbond_file[0] if hbond_data_dir != None: full_file = os.path.join(hbond_data_dir, hbond_file) else: full_file = hbond_file try: hbond_f = file(full_file) except IOError: sys.exit('ERROR: Could not open ' + full_file + '.\n') # Create list of hbonds in the input file, check to see if they # satisfy the necessary criteria for output. hbond_list = [] for line in hbond_f: hbond = HBond() hbond.init_from_str(line) hbond_list.append(hbond) output = [] for hbond in hbond_list: if is_resinum_of_interest(hbond, resi_criteria) and \ is_atom_of_interest(hbond, atom_criteria) and \ hbond.occ_pct > occ_thresh: if compress: hbond.compress_graph() if occ_graph_only: hbond_str = str(hbond) else: hbond_str = hbond._atom_str() + ' ' + hbond._attr_str() if sort not in 'occ_pct acceptor donor dist angle'.split(): print('Warning: Unknown sorting method: ' + sort + '.\n' + \ ' Will sort by occupancy percentage.') sort = 'occ_pct' if sort == 'occ_pct': output.append((hbond.occ_pct, hbond.acceptor.resi_num, hbond_str)) elif sort == 'acceptor': output.append((hbond.acceptor.resi_num, hbond.acceptor.atom_name, hbond.donor.resi_num, hbond.donor.atom_name, hbond_str)) elif sort == 'donor': output.append((hbond.donor.resi_num, hbond.donor.atom_name, hbond.acceptor.resi_num, hbond.acceptor.atom_name, hbond_str)) elif sort == 'dist': output.append((hbond.dist, hbond_str)) else: # sort must be 'angle' output.append((hbond.angle, hbond_str)) # Write output output.sort() if sort == 'occ_pct': output.reverse() output = [o[-1] for o in output] output_str = '\n'.join(output) if hbond_data_dir == None: output_dir = '.' else: output_dir = hbond_data_dir if output_file == None: print(output_str) else: try: output_file = os.path.join(output_dir, output_file) output_f = file(output_file, 'w') except IOError: print('Warning: Could not open ' + output_file + '.\n') print(output_str) else: output_f.write(output_str + '\n') output_f.close() def compare_hbonds(hbond_files, identifiers = [], output_file = None, resi_criteria = ['all'], atom_criteria = ['all'], occ_thresh = 0.0, occ_graph_only = False, sort = 'occ_diff', compress = False, hbond_data_dir = None): """ Following combination of hbonds by combine_hbond() for distinct trajectories, this function can be used to present the data as a side-by-side comparison of hbond occupancies. hbond_files: the hbond files with data to be analyzed. identifiers: the list of names associated with each hbond_file. If the list is empty, each file will simply be assigned a number. (default: []) output_file: the name of the output file. If None, the results will be written to stdout. (default: None) resi_criteria: a list containing residue number criteria to include in the output. (default: ['all']) atom_criteria: a list containing atom name criteria to include in the output. (default: ['all']) occ_thresh: the minimum occupancy threshold that the hbonds must have to be reported. (default: 0.0) occ_graph_only: if True, only the atom string, occupancy, and graph of each hbond will be written to output. (default: False) sort: one of 'occ_diff', 'occ_pct', 'donor', or 'acceptor' that indicates how to sort the output. (default: occ_diff) compress: if True, the graphs will be compressed by compress_graph(). (default: False) hbond_data_dir: the directory that contains the hbond data files. If 'None,' the file names will be used without modification, and the output will be written to the current directory. (default: None) """ # Set up identifier strings for i in range(len(hbond_files)): if i >= len(identifiers): identifiers.append(str(i + 1)) max_id_length = max(len(id) for id in identifiers) for i in range(len(identifiers)): num_spaces = max_id_length - len(identifiers[i]) identifiers[i] = num_spaces * ' ' + identifiers[i] # Do error checking on file names files_to_remove = [] for each_file in hbond_files: if hbond_data_dir != None: full_file = os.path.join(hbond_data_dir, each_file) else: full_file = each_file if not os.path.exists(full_file): print('Warning: File ' + full_file + ' does not exist.\n' + \ ' Will be ignored.') files_to_remove.append(each_file) for each_file in files_to_remove: i = hbond_files.index(each_file) identifiers.remove(identifiers[i]) hbond_files.remove(each_file) if len(hbond_files) == 0: sys.exit('ERROR: No input files provided.\n') if hbond_data_dir != None: for i in range(len(hbond_files)): hbond_files[i] = os.path.join(hbond_data_dir, hbond_files[i]) # Create dictionaries for each file indicating their hbonds hb_dict_list = [] # One dictionary per hbond input file combined_hbonds = {} # {hbond_string: None} just keeps cumulative track for each_file in hbond_files: hb_dict = {} # {hbond_string: hbond object} for line in file(each_file): hbond = HBond() hbond.init_from_str(line) if is_resinum_of_interest(hbond, resi_criteria) and \ is_atom_of_interest(hbond, atom_criteria): if compress: hbond.compress_graph() hb_dict[hbond._atom_str()] = hbond combined_hbonds[hbond._atom_str()] = None hb_dict_list.append(hb_dict) # Run through the master list of all hbonds. If a given # dictionary doesn't have an entry for one, create one with # zero occupancy. for hb_dict in hb_dict_list: for hbond_str in combined_hbonds: found = False for hbond_str_dict in hb_dict: if hbond_str_dict == hbond_str: found = True break if not found: hbond = HBond() hbond.init_from_atomstr(hbond_str) hb_dict[hbond_str] = hbond # Compile and sort relevant data if sort not in 'occ_diff occ_pct donor acceptor'.split(): print('Warning: Unknown sorting method: ' + sort + '.\n' + \ ' Will use occ_diff to sort.') sort = 'occ_diff' output = [] for hbond_str in combined_hbonds: hb_list = [ hb_dict[hbond_str] for hb_dict in hb_dict_list ] max_occ = max(hbond.occ_pct for hbond in hb_list) min_occ = min(hbond.occ_pct for hbond in hb_list) occ_diff = max_occ - min_occ if sort == 'occ_diff' and occ_diff > occ_thresh: output.append((occ_diff, hb_list[0].acceptor.resi_num, hb_list)) elif sort == 'occ_pct' and max_occ > occ_thresh: output.append((max_occ, hb_list[0].acceptor.resi_num, hb_list)) elif sort == 'donor' and occ_diff > occ_thresh: output.append((hb_list[0].donor.resi_num, hb_list[0].donor.atom_name, hb_list[0].acceptor.resi_num, hb_list[0].acceptor.atom_name, hb_list)) elif sort == 'acceptor' and occ_diff > occ_thresh: output.append((hb_list[0].acceptor.resi_num, hb_list[0].acceptor.atom_name, hb_list[0].donor.resi_num, hb_list[0].donor.atom_name, hb_list)) output.sort() if sort == 'occ_diff' or sort == 'occ_pct': output.reverse() output = [o[-1] for o in output] # Write output output_str = '' for each_hbond in output: for i in range(len(each_hbond)): hbond = each_hbond[i] if occ_graph_only: output_str += identifiers[i] + ': ' + str(hbond) + '\n' else: output_str += identifiers[i] + ': ' + \ hbond._atom_str() + ' ' + hbond._attr_str() + '\n' output_str += '\n' if hbond_data_dir == None: output_dir = '.' else: output_dir = hbond_data_dir if output_file == None: print(output_str[:-2]) # Removes the last 2 newlines else: try: output_file = os.path.join(output_dir, output_file) output_f = file(output_file, 'w') except IOError: print('Warning: Could not open ' + output_file + '.\n') print(output_str) else: output_f.write(output_str[:-1]) output_f.close()
LernerLabs/PyPAT
pypat/hbond_analysis_utils.py
Python
apache-2.0
34,523
[ "Amber" ]
d144ffa14d1addc385dc31b3ec5f470f6f62903b1aabc9594a39e11254c75328
from behave import * # Common to this feature @when('I visit the reset password page') def impl(context): context.browser.visit(context.config.server_url + '/accounts/password/reset/')
nlhkabu/connect
bdd/features/steps/reset_password.py
Python
bsd-3-clause
191
[ "VisIt" ]
28fd0279253a0132b5632d20bf3bfc5bc2aec34d555cb3e6f07597be71139f25
# Copyright (C) 2012-2016 # Max Planck Institute for Polymer Research # Copyright (C) 2008-2011 # Max-Planck-Institute for Polymer Research & Fraunhofer SCAI # # This file is part of ESPResSo++. # # ESPResSo++ is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later version. # # ESPResSo++ is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # # You should have received a copy of the GNU General Public License # along with this program. If not, see <http://www.gnu.org/licenses/>. R""" This abstract class provides the interface to (re-)initialize populations and handle external forces. .. py:class:: espressopp.integrator.LBInit .. py:method:: createDenVel(rho0,u0) to set initial density and velocity of the LB-fluid. :param real rho0: density :param Real3D u0: velocity The following options for LB-fluid initialization are supported: * :class:`espressopp.integrator.LBInitPopUniform` A typical choice. It initializes uniformly distributed density and velocity: On every lattice site the density is ``rho0`` and velocity is ``u0`` * :class:`espressopp.integrator.LBInitPopWave` for uniform density at every lattice site, but harmonic velocity :math:`v_z (x)` with the period of lattice sites in *x*-direction .. py:method:: setForce(value) to set an external force onto LB-fluid. :param Real3D value: value of the force .. py:method:: addForce(force) to add a new external force to the existing one. :param Real3D force: value of the force Two main external force types are implemented: * :class:`espressopp.integrator.LBInitConstForce` to manage constant (gravity-like) forces acting on every lattice site and * :class:`espressopp.integrator.LBInitPeriodicForce` to manage periodic (sin-like) forces """ from espressopp.esutil import cxxinit from espressopp import pmi from espressopp.integrator.LatticeBoltzmann import * from _espressopp import integrator_LBInit class LBInitLocal(integrator_LBInit): def createDenVel(self,rho0,u0): if not pmi._PMIComm or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.createDenVel(self,rho0,u0) def setForce(self,force): if not pmi._PMIComm or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setForce(self,force) def addForce(self,force): if not pmi._PMIComm or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.addForce(self,force) if pmi.isController : class LBInit(): __metaclass__ = pmi.Proxy pmiproxydefs = dict( )
fedepad/espressopp
src/integrator/LBInit.py
Python
gpl-3.0
3,056
[ "ESPResSo" ]
1a88cbe6278a2c5b674f1a6952aedd5226a288f0a47598746642d0d9f15a2c85
import bpy import bpy_extras import bmesh import mathutils import math #import copy bl_info = { "name": "Viewport Vertex Alignment", "author": "Hades", "version": (0, 2), "blender": (2, 6, 9), "location": "View3D > Mesh Edit > Toolshelf > Vertex Alignment", "description": "Aligns selected vertices based on a best fit algorithm, to the view port.", "warning": "", "wiki_url": "", "tracker_url": "", "category": "Mesh"} def debug(msg): #print(msg) pass def debug_points(points,rotation): r=mathutils.Matrix.Rotation(math.radians(rotation),4,'Z') f=open('c:/blender/points.txt','w') f.write(str(['x','y','z','w','rx','ry','rz','rw','dx','dy','dz','dw','weight','residual weight'])) f.write('\n') for p in points: pr=p['point']*r f.write(str([p['point'].x,p['point'].y,p['point'].z,p['point'].w,pr.x,pr.y,pr.z,pr.w,p['delta'].x,p['delta'].y,p['delta'].z,p['delta'].w,p['weight'],p['residual weight']])) f.write('\n') f.close() def debug_error(error): f=open('c:/blender/error.txt','w') f.write(str(['error sum','mean','stdev','residuals','devs'])) f.write('\n') for i in range(len(error['residuals'])): f.write(str([error['error sum'],error['mean'],error['stdev'],error['residuals'][i],error['devs'][i]])) f.write('\n') f.close() def main(context,properties): #debug("\nVertex Alignment operator:-----") #import os #os.system('cls') obj=bpy.context.object if (obj.mode == 'EDIT')and(bpy.context.space_data.type=="VIEW_3D") : bm=bmesh.from_edit_mesh(obj.data) #debug('\nSelected Vertices:') vertices = get_vertices(bm) #debug([v for v in vertices]) if (len(vertices) <= 2): #debug("mesh.vertex_alignment: Not enough vertices selected") return {'CANCELLED'} #debug('\nAxis:') axis = get_axis('perspective') #debug(axis) #debug('\nProjection:') points = project(vertices,axis) #debug([p['point'] for p in points]) #debug('\nFit:') points = fit1(properties,points) #points is being updated by ref-- note the right hand assignment is unnecessary ! #debug([p['delta'] for p in points]) #debug('\nUnproject:') vertices_updated = unproject(points,axis,properties) #debug([p["v'"] for p in vertices_updated]) #debug("\nUpdate Vertices:") update_vertices(obj.data,points) #debug ("\nend function------") return {'FINISHED'} #def filter_outliers(points,rotate,properties,errori): # """This function will lower the weight of points with residuals that are outside of one standard deviation""" # print("FILTER_OUTLIERS FUNCTION:") # print(errori['stdev']) # if (errori['stdev']>1.0): # ind=0 # for d in errori['devs']: # if (math.sqrt(d) >= errori['stdev']): # points[ind]['weight']=0 # points[ind]['residual weight']=0 # errori['outliers'] += 1 # # ind+=1 # return points def filter_anchor(points,rotate,properties,error): """This function will add extreme weighting to the boundary points""" #debug('Anchor: shifting weights') #this funciton only works because the fit_functions will sort points before this function is called. max_weight=10000 points[0]['weight'] = max_weight points[-1]['weight'] = max_weight points[0]['residual weight'] = 1 points[-1]['residual weight'] = 1 return points def filter_reset_weights(points): for p in points: p['weight']=1 p['residual weight']=1 return points #def copy_deltas(points): # a={} # for p in points: # a[p['id']]=p['delta'] # return a #def paste_deltas(points,best_deltas): # for d in points['delta']: def fit1(properties,points): """This function applies the fitting function several times, finding the axis rotation that causes the smallest error and returns the points. This expects a 1D fit where x is the domain, y is the range (and therefore y is being affected in fit).""" #debug("\nFunction Trial:") #note: points is being treated as though it's 'by reference'-- inner values such as deltas are being changed on the main object, so be careful on order of operations. fit_function=properties['function'] iterations=properties['iterations'] max_error=9999999999999999999999999 error=[] #list of dictionaries smallest_error=max_error min_error=0 #best_points=None min_theta=0 theta=0 theta_step_initial=45 theta_step=theta_step_initial theta_forward=True for i in range(iterations):#angles anchor=properties['anchor'] #outlier_filter=properties['outlier_filter'] points=filter_reset_weights(points) try: error.append({'failed':True,'error sum':max_error,'stdev':0,'mean':max_error,'residuals':[max_error],'devs':[0]}) #'outliers':error[i]['outliers'] while True: #filters error[i]={'failed':True,'error sum':max_error,'stdev':0,'mean':max_error,'residuals':[max_error],'devs':[0]} points=fit_function(points,theta,properties) error[i]={'failed':False,'error sum':0,'stdev':0,'mean':0,'residuals':[],'devs':[]} #reset it-- in case an exception is thrown in the fit_function SrN=0 for p in points: error[i]['residuals'].append( math.pow( math.sqrt( math.pow(p['delta'].x,2)+math.pow(p['delta'].y,2)+math.pow(p['delta'].z,2)+math.pow(p['delta'].w,2) ) ,2)*p['residual weight'] ) error[i]['error sum'] += error[i]['residuals'][-1] SrN += p['residual weight'] N=SrN #len(error[i]['residuals']) #print(N) error[i]['mean']=error[i]['error sum'] / N for e in error[i]['residuals']: error[i]['devs'].append(math.pow(e - error[i]['mean'],2)) error[i]['stdev'] += error[i]['devs'][-1] error[i]['stdev'] = math.sqrt(error[i]['stdev']/N) if (not anchor):#or(outlier_filter)): break #if (outlier_filter): # if ((error[i]['stdev'] <= properties['outlier_filter_target'])or(error[i]['outliers'] >= len(points)-3)): #you need at least 3 points to attempt to describe a curve. # outlier_filter=False # else: # prev_outliers=error[i]['outliers'] # points=filter_outliers(points,theta,properties,error[i]) # print(["IF",prev_outliers,error[i]['outliers'],prev_outliers == error[i]['outliers']]) # # if (error[i]['outliers'] == prev_outliers): #no more matches were found. # print("NO MORE OUTLIERS") # outlier_filter=False if (anchor): points=filter_anchor(points,theta,properties,error) anchor=False #print([i,theta,outlier_filter,anchor,error[i]['stdev'],error[i]['outliers']]) if (error[i]['error sum'] < smallest_error): smallest_error=error[i]['error sum'] min_error=i min_theta=theta #best_points=copy.copy(points) except ValueError as e: print(e) except ZeroDivisionError as e: print(e) #angle convergence: if (i>360/theta_step_initial): #let it run around the cirlce a full time first, then search for the smallest error if (theta_forward): if (error[i]['error sum'] == smallest_error): theta+=theta_step elif (error[i]['error sum'] > smallest_error): theta_step/=2.0 theta-=theta_step theta_forward=False else: if (error[i]['error sum'] == smallest_error): theta-=theta_step elif (error[i]['error sum'] > smallest_error): theta_step/=2.0 theta+=theta_step theta_forward=True elif (i == 360/theta_step_initial): theta=min_theta theta_step/=2.0 else: theta+=theta_step if (theta_step <= 0.000000001): #best angle found (or very close !) break #debug_error(error[min_error]) #debug_points(points,min_theta) #one more time, the full 2 step procedure (1: dry, 2: filtered); anchor=properties['anchor'] points=filter_reset_weights(points) points=fit_function(points,min_theta,properties) #if (outlier_filter): # points=filter_outliers(points,min_theta,properties,error[min_error]) # outlier_filter=False if (anchor): points=filter_anchor(points,min_theta,properties,error) anchor=False points=fit_function(points,min_theta,properties) #points=best_points return points def error_residual1(points, r , rr, properties, line_func, line_parameters): """This function is used in the fitting functions to determine the deltas """ #print("Residual Errors:") for p in points: pr=p['point']*r x = pr.x y = pr.y yy = line_func(x,line_parameters) p['delta'] = mathutils.Vector((0,(y - yy),0,0))*rr return points def sort_index1(points,r): """This function sorts points based on their domain (assumed as x axis when rotated) """ #print("Sorting Indices:") points = sorted(points, key=lambda xx: (xx['point']*r).x) return points def fit_linear1(points,rotate,properties=None): """This function attempts to fit a given set of points to a linear line: y = a1*x + a0""" r=mathutils.Matrix.Rotation(math.radians(rotate),4,'Z') rr=mathutils.Matrix.Rotation(math.radians(-rotate),4,'Z') Sxy = 0 Sx = 0 Sy = 0 Sx2 = 0 Sw = 0 for p in points: pr=p['point']*r x = pr.x y = pr.y Sxy += x*y * p['weight'] Sx += x * p['weight'] Sy += y * p['weight'] Sx2 += math.pow(x,2) * p['weight'] Sw += p['weight'] N = Sw a1 = ( N*Sxy - Sx*Sy ) / ( N*Sx2 - math.pow(Sx,2)) a0 = 1/N * Sy - a1 * 1/N * Sx def line_func(x,a): return a[0] + a[1]*x points=sort_index1(points,r) return error_residual1(points,r,rr,properties,line_func,[a0,a1]) def fit_quadratic1(points,rotate,properties=None): """This function attempts to fit a given set of points to a quadratic polynomial line: y = a2*x^2 + a1*x + a0""" r=mathutils.Matrix.Rotation(math.radians(rotate),4,'Z') rr=mathutils.Matrix.Rotation(math.radians(-rotate),4,'Z') Sxy = 0 Sx = 0 Sy = 0 Sx2 = 0 Sx2y = 0 Sx3 = 0 Sx4 = 0 Sw = 0 for p in points: pr=p['point']*r x = pr.x y = pr.y Sxy = Sxy + x*y * p['weight'] Sx = Sx + x * p['weight'] Sy = Sy + y * p['weight'] Sx2 = Sx2 + math.pow(x,2) * p['weight'] Sx2y = Sx2y+ math.pow(x,2)*y * p['weight'] Sx3 = Sx3 + math.pow(x,3) * p['weight'] Sx4 = Sx4 + math.pow(x,4) * p['weight'] Sw += p['weight'] N = Sw A=[[N, Sx, Sx2,Sy], [Sx, Sx2, Sx3,Sxy], [Sx2, Sx3, Sx4,Sx2y]] xM=like_a_gauss(A) a0=xM[0][3] a1=xM[1][3] a2=xM[2][3] def line_func(x,a): return a[0] + a[1]*x + a[2]*math.pow(x,2) points=sort_index1(points,r) return error_residual1(points,r,rr,properties,line_func,[a0,a1,a2]) def fit_cubic1(points,rotate,properties=None): """This function attempts to fit a given set of points to a cubic polynomial line: y = a3*x^3 + a2*x^2 + a1*x + a0""" r=mathutils.Matrix.Rotation(math.radians(rotate),4,'Z') rr=mathutils.Matrix.Rotation(math.radians(-rotate),4,'Z') Sxy = 0 Sx = 0 Sy = 0 Sx2 = 0 Sx2y = 0 Sx3y = 0 Sx3 = 0 Sx4 = 0 Sx5 = 0 Sx6 = 0 Sw = 0 for p in points: pr=p['point']*r x = pr.x y = pr.y Sxy = Sxy + x*y * p['weight'] Sx = Sx + x * p['weight'] Sy = Sy + y * p['weight'] Sx2 = Sx2 + math.pow(x,2) * p['weight'] Sx2y = Sx2y+ math.pow(x,2)*y * p['weight'] Sx3y = Sx3y+ math.pow(x,3)*y * p['weight'] Sx3 = Sx3 + math.pow(x,3) * p['weight'] Sx4 = Sx4 + math.pow(x,4) * p['weight'] Sx5 = Sx5 + math.pow(x,5) * p['weight'] Sx6 = Sx6 + math.pow(x,6) * p['weight'] Sw += p['weight'] N = Sw A=[[N, Sx, Sx2,Sx3,Sy], [Sx, Sx2, Sx3,Sx4,Sxy], [Sx2, Sx3, Sx4, Sx5,Sx2y], [Sx3, Sx4, Sx5, Sx6,Sx3y]] xM=like_a_gauss(A) a0=xM[0][4] a1=xM[1][4] a2=xM[2][4] a3=xM[3][4] def line_func(x,a): return a[0] + a[1]*x + a[2]*math.pow(x,2) + a[3]*math.pow(x,3) points=sort_index1(points,r) return error_residual1(points,r,rr,properties,line_func,[a0,a1,a2,a3]) def fit_cosine1(points,rotate,properties): """This function attempts to fit a given set of points to a cosine curve: y = a0 + a1*cos(w*x) + a2*cos(w*x) """ r=mathutils.Matrix.Rotation(math.radians(rotate),4,'Z') rr=mathutils.Matrix.Rotation(math.radians(-rotate),4,'Z') omega=properties['cosine_omega'] Sycos = 0 Sysin = 0 Scos = 0 Scos2 = 0 Ssin = 0 Ssin2 = 0 Sy = 0 Scossin = 0 Sw = 0 for p in points: pr=p['point']*r x = pr.x y = pr.y Sy = Sy + y* p['weight'] Sycos=Sycos + y * math.cos(omega * x)* p['weight'] Sysin=Sysin + y * math.sin(omega * x)* p['weight'] Scos = Scos + math.cos(omega * x)* p['weight'] Ssin = Ssin + math.sin(omega * x)* p['weight'] Scos2= Scos2+ math.pow(math.cos(omega * x),2)* p['weight'] Ssin2= Ssin2+ math.pow(math.sin(omega * x),2)* p['weight'] Scossin= Scossin+ math.cos(omega * x) * math.sin(omega * x)* p['weight'] Sw += p['weight'] N = Sw A=[[N, Scos, Ssin, Sy], [Scos, Scos2, Scossin, Sycos], [Ssin, Scossin, Ssin2, Sysin]] xM=like_a_gauss(A) a0=xM[0][3] a1=xM[1][3] a2=xM[2][3] def line_func(x,a): return a[0] + a[1]*math.cos(a[3] * x) + a[2] * math.sin(a[3] * x); points=sort_index1(points,r) return error_residual1(points,r,rr,properties,line_func,[a0,a1,a2,omega]) def get_vertices(mesh): """Returns the active list of selected vertices.""" verts = [] for v in mesh.verts: if v.select: verts.append(v) return verts def get_axis(type): """Gets the axis we will be performing the rotation on. Returns a projection matrix""" if (type == 'perspective'): region = bpy.context.region rv3d = bpy.context.region_data else: #debug('mesh.vertex_align: get_axis: Unexpected input') return None return {"region":region,"rv3d":rv3d} def project(vertices,axis): """Project the vertices onto a plane of the given axis.""" points = [] for v in vertices: vec = mathutils.Vector(v.co) p = bpy_extras.view3d_utils.location_3d_to_region_2d(axis['region'],axis['rv3d'],vec).to_4d() depth = vec points.append({"id":v,"point":p,"delta":None,"v'":None,"depth":depth,"weight":1.0,"residual weight":1.0,'index':None}) #id=original vert reference, point=project point on plane, d=delta changes by fit function, v' = Vector of final 3d vert position, depth=depth vector needed for unprojecting, weight=how much a point impacts the fit, residual weight=how much a points varience should be counted in the error. return points def unproject(points,axis,properties): """Unproject points on a plane to vertices in 3d space.""" for p in points: new_p = p['point']-p['delta']*properties['influence'] old_v = p['id'].co new_v = bpy_extras.view3d_utils.region_2d_to_location_3d(axis['region'],axis['rv3d'],new_p.to_2d(),p['depth']) p["v'"]=new_v return points def update_vertices(mesh,points): """Update the active set of selected vertices with their fitted positions.""" for p in points: p['id'].co = p["v'"].to_3d().to_tuple() bmesh.update_edit_mesh(mesh) def like_a_gauss(mat): """ Implementation of the Gaussian Elimination Algorithm for finding the row-reduced echelon form of a given matrix. No pivoting is done. Requires Python 3 due to the different behaviour of the division operation in earlier versions of Python. Released under the Public Domain (if you want it - you probably don't) https://gist.github.com/zhuowei/7149445 Changes mat into Reduced Row-Echelon Form. """ # Let's do forward step first. # at the end of this for loop, the matrix is in Row-Echelon format. for i in range(min(len(mat), len(mat[0]))): # every iteration, ignore one more row and column for r in range(i, len(mat)): # find the first row with a nonzero entry in first column zero_row = mat[r][i] == 0 if zero_row: continue # swap current row with first row mat[i], mat[r] = mat[r], mat[i] # add multiples of the new first row to lower rows so lower # entries of first column is zero first_row_first_col = mat[i][i] for rr in range(i + 1, len(mat)): this_row_first = mat[rr][i] scalarMultiple = -1 * this_row_first / first_row_first_col for cc in range(i, len(mat[0])): mat[rr][cc] += mat[i][cc] * scalarMultiple break # At the end of the forward step # Now reduce for i in range(min(len(mat), len(mat[0])) - 1, -1, -1): # divide last non-zero row by first non-zero entry first_elem_col = -1 first_elem = -1 for c in range(len(mat[0])): if mat[i][c] == 0: continue if first_elem_col == -1: first_elem_col = c first_elem = mat[i][c] mat[i][c] /= first_elem # add multiples of this row so all numbers above the leading 1 is zero for r in range(i): this_row_above = mat[r][first_elem_col] scalarMultiple = -1 * this_row_above for cc in range(len(mat[0])): mat[r][cc] += mat[i][cc] * scalarMultiple # disregard this row and continue return mat class OPS_MESH_hd_viewport_vertexalign(bpy.types.Operator): """Align Vertices based on a least squares algorithm, based on the active view port.""" bl_idname = "mesh.hd_viewport_vertex_align" bl_label = "3D Viewport Vertex Alignment" bl_options = {'REGISTER', 'UNDO'} function = bpy.props.EnumProperty( items=[('LINEAR1','1D Linear','Linear Least Squares Method'), ('QUADRATIC1','1D Parabolic','Quadratic Polynomial Least Squares Method'), ('CUBIC1','1D Cubic', 'Cubic Polynomial Least Squares Method'), ('COSINE1','1D Cosine', 'Cosine Least Squares Method')], name="Fit type", description="Select the method to align the vertices by.", default='LINEAR1') cosine_omega = bpy.props.FloatProperty( name="Omega", description="Angular frequency", default=0.01, min=0.0001, step=0.001, soft_min=0.001) influence = bpy.props.FloatProperty( name="Influence", description="How much the best fit solution is applied.", default=1, soft_max=1, soft_min=0, step=0.01) #outlier_filter = bpy.props.BoolProperty( # name="Outlier Filter", # description="Should vertices that are outside of the standard deviation be filtered out of the fitting function?", # default=True) #outlier_filter_target = bpy.props.FloatProperty( # name="Standard Deviation target for error deviation.", # description="How far is too far from a fitted line?", # default=10, # min=0.1, # step=0.5) iterations = bpy.props.IntProperty( name="Max Iterations", description="Max number of iterations to try and solve.", default=180, soft_max=180, min=1) anchor = bpy.props.BoolProperty( name="Anchor Boundaries", description="Should the start and end vertices be anchored?", default=True) @classmethod def poll(cls, context): return context.active_object is not None def execute(self, context): if (self.function == 'LINEAR1'): fit_function=fit_linear1 elif (self.function == 'QUADRATIC1'): fit_function=fit_quadratic1 elif (self.function == 'CUBIC1'): fit_function=fit_cubic1 elif (self.function == 'COSINE1'): fit_function=fit_cosine1 else: #debug('unexpected input for "function" in mesh.vertex_align') fit_function=fit_linear1 #,"max_error":math.pow(self.max_error,0.5),,"outlier_filter":self.outlier_filter,"outlier_filter_target":self.outlier_filter_target properties={"function":fit_function,"cosine_omega":self.cosine_omega,"influence":self.influence,"iterations":self.iterations,"anchor":self.anchor} return main(context,properties) class ViewportVertexAlignMenu(bpy.types.Menu): bl_label = "Vertex Alignment" bl_idname = "MESH_MT_edit_mesh_hd_viewport_vertex_align" def draw(self, context): layout = self.layout layout.operator("mesh.hd_viewport_vertex_align",text="Linear",icon='CURVE_PATH').function='LINEAR1' layout.operator("mesh.hd_viewport_vertex_align",text="Parabolic",icon='CURVE_BEZCURVE').function='QUADRATIC1' layout.operator("mesh.hd_viewport_vertex_align",text="Cubic",icon='CURVE_BEZCURVE').function='CUBIC1' layout.operator("mesh.hd_viewport_vertex_align",text="Cosine",icon='CURVE_BEZCURVE').function='COSINE1' def draw_item(self, context): layout = self.layout layout.menu(ViewportVertexAlignMenu.bl_idname) def menu_specials(self, context): self.layout.menu("MESH_MT_edit_mesh_hd_viewport_vertex_align") self.layout.separator() class ViewportVertexAlignPanel(bpy.types.Panel): """Creates a Panel in the scene context of the properties editor""" bl_label = "3D Viewport Vertex Alignment" bl_idname = "VIEW3D_PT_hd_viewport_vertex_alignment" bl_space_type = 'VIEW_3D' bl_region_type = 'TOOLS' bl_context = "mesh_edit" def draw(self, context): layout = self.layout col = layout.column(align=True) col.operator("mesh.hd_viewport_vertex_align") def register(): bpy.utils.register_class(OPS_MESH_hd_viewport_vertexalign) bpy.utils.register_class(ViewportVertexAlignMenu) bpy.utils.register_class(ViewportVertexAlignPanel) bpy.types.VIEW3D_MT_edit_mesh_specials.prepend(menu_specials) bpy.types.INFO_HT_header.append(draw_item) def unregister(): bpy.utils.unregister_class(OPS_MESH_hd_viewport_vertexalign) bpy.utils.unregister_class(ViewportVertexAlignMenu) bpy.utils.unregister_class(ViewportVertexAlignPanel) bpy.types.VIEW3D_MT_edit_mesh_specials.remove(menu_specials) bpy.types.INFO_HT_header.remove(draw_item) if __name__ == "__main__": register() #unregister() #register() # test call #bpy.ops.wm.call_menu(name=ViewportVertexAlignMenu.bl_idname) #unregister()
hdunderscore/mesh_viewport_vertex_align
mesh_viewport_vertex_alignment.py
Python
mit
25,359
[ "Gaussian" ]
a509b2875da983b82728e460c4fda4bf9a74f3dbdbc8e1fc17cb820bfc17b8e8
# Orca # # Copyright 2010-2011 The Orca Team # # This library is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public # License as published by the Free Software Foundation; either # version 2.1 of the License, or (at your option) any later version. # # This library is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU # Lesser General Public License for more details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the # Free Software Foundation, Inc., Franklin Street, Fifth Floor, # Boston MA 02110-1301 USA. """ A list of common keybindings and unbound keys pulled out from default.py: getKeyBindings() with the goal of being more readable and less monolithic. """ __id__ = "$Id$" __version__ = "$Revision$" __date__ = "$Date$" __copyright__ = "Copyright (c) 2010-2011 The Orca Team" __license__ = "LGPL" from . import keybindings # Storing values defaultModifierMask = keybindings.defaultModifierMask ORCA_MODIFIER_MASK = keybindings.ORCA_MODIFIER_MASK NO_MODIFIER_MASK = keybindings.NO_MODIFIER_MASK ORCA_SHIFT_MODIFIER_MASK = keybindings.ORCA_SHIFT_MODIFIER_MASK ORCA_CTRL_MODIFIER_MASK = keybindings.ORCA_CTRL_MODIFIER_MASK ORCA_ALT_MODIFIER_MASK = keybindings.ORCA_ALT_MODIFIER_MASK ORCA_CTRL_ALT_MODIFIER_MASK = keybindings.ORCA_CTRL_ALT_MODIFIER_MASK SHIFT_ALT_MODIFIER_MASK = keybindings.SHIFT_ALT_MODIFIER_MASK keymap = ( ("F11", defaultModifierMask, ORCA_MODIFIER_MASK, "toggleTableCellReadModeHandler"), ("f", defaultModifierMask, ORCA_MODIFIER_MASK, "readCharAttributesHandler"), ("h", defaultModifierMask, ORCA_MODIFIER_MASK, "enterLearnModeHandler", 1), ("space", defaultModifierMask, ORCA_MODIFIER_MASK, "preferencesSettingsHandler"), ("space", defaultModifierMask, ORCA_CTRL_MODIFIER_MASK, "appPreferencesSettingsHandler"), ("s", defaultModifierMask, ORCA_MODIFIER_MASK, "toggleSilenceSpeechHandler"), ("v", defaultModifierMask, ORCA_MODIFIER_MASK, "toggleSpeechVerbosityHandler"), ("t", defaultModifierMask, ORCA_MODIFIER_MASK, "presentTimeHandler", 1), ("t", defaultModifierMask, ORCA_MODIFIER_MASK, "presentDateHandler", 2), ##################################################################### # # # Bookmark key bindings # # # ##################################################################### # key binding to save bookmark information to disk ("b", defaultModifierMask, ORCA_ALT_MODIFIER_MASK, "saveBookmarks"), # key binding to move to the previous bookmark ("b", defaultModifierMask, ORCA_SHIFT_MODIFIER_MASK, "goToPrevBookmark"), # key binding to move to the next bookmark ("b", defaultModifierMask, ORCA_MODIFIER_MASK, "goToNextBookmark"), # key bindings for '1' through '6' for relevant commands # 'Add bookmark' key bindings ("1", defaultModifierMask, ORCA_ALT_MODIFIER_MASK, "addBookmark"), ("2", defaultModifierMask, ORCA_ALT_MODIFIER_MASK, "addBookmark"), ("3", defaultModifierMask, ORCA_ALT_MODIFIER_MASK, "addBookmark"), ("4", defaultModifierMask, ORCA_ALT_MODIFIER_MASK, "addBookmark"), ("5", defaultModifierMask, ORCA_ALT_MODIFIER_MASK, "addBookmark"), ("6", defaultModifierMask, ORCA_ALT_MODIFIER_MASK, "addBookmark"), # 'Go to bookmark' key bindings ("1", defaultModifierMask, ORCA_MODIFIER_MASK, "goToBookmark"), ("2", defaultModifierMask, ORCA_MODIFIER_MASK, "goToBookmark"), ("3", defaultModifierMask, ORCA_MODIFIER_MASK, "goToBookmark"), ("4", defaultModifierMask, ORCA_MODIFIER_MASK, "goToBookmark"), ("5", defaultModifierMask, ORCA_MODIFIER_MASK, "goToBookmark"), ("6", defaultModifierMask, ORCA_MODIFIER_MASK, "goToBookmark"), ("BackSpace", defaultModifierMask, ORCA_MODIFIER_MASK, "bypassNextCommandHandler"), ##################################################################### # # # Unbound handlers # # # ##################################################################### ("", defaultModifierMask, NO_MODIFIER_MASK, "cycleSettingsProfileHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "cycleCapitalizationStyleHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "cycleDebugLevelHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "decreaseSpeechRateHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "increaseSpeechRateHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "decreaseSpeechPitchHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "increaseSpeechPitchHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "increaseSpeechVolumeHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "decreaseSpeechVolumeHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "panBrailleLeftHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "panBrailleRightHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "toggleMouseReviewHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "toggleSpeakingIndentationJustificationHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "cycleSpeakingPunctuationLevelHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "cycleKeyEchoHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "repeatLastNotificationMessageHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "repeatPreviousNotificationMessageHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "enableNotificationMessageListModeHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "flatReviewCopyHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "flatReviewAppendHandler"), ("", defaultModifierMask, NO_MODIFIER_MASK, "shutdownHandler"), )
pvagner/orca
src/orca/common_keyboardmap.py
Python
lgpl-2.1
6,459
[ "ORCA" ]
7851c66cecb6f760c23f2e2828e836c4a7b21a10e751411bda2222147d3383b2
#!/usr/bin/env python ################################################## ## DEPENDENCIES import sys import os import os.path try: import builtins as builtin except ImportError: import __builtin__ as builtin from os.path import getmtime, exists import time import types from Cheetah.Version import MinCompatibleVersion as RequiredCheetahVersion from Cheetah.Version import MinCompatibleVersionTuple as RequiredCheetahVersionTuple from Cheetah.Template import Template from Cheetah.DummyTransaction import * from Cheetah.NameMapper import NotFound, valueForName, valueFromSearchList, valueFromFrameOrSearchList from Cheetah.CacheRegion import CacheRegion import Cheetah.Filters as Filters import Cheetah.ErrorCatchers as ErrorCatchers from Plugins.Extensions.OpenWebif.local import tstrings from json import dumps ################################################## ## MODULE CONSTANTS VFFSL=valueFromFrameOrSearchList VFSL=valueFromSearchList VFN=valueForName currentTime=time.time __CHEETAH_version__ = '2.4.4' __CHEETAH_versionTuple__ = (2, 4, 4, 'development', 0) __CHEETAH_genTime__ = 1406885498.353708 __CHEETAH_genTimestamp__ = 'Fri Aug 1 18:31:38 2014' __CHEETAH_src__ = '/home/wslee2/models/5-wo/force1plus/openpli3.0/build-force1plus/tmp/work/mips32el-oe-linux/enigma2-plugin-extensions-openwebif-1+git5+3c0c4fbdb28d7153bf2140459b553b3d5cdd4149-r0/git/plugin/controllers/views/main.tmpl' __CHEETAH_srcLastModified__ = 'Fri Aug 1 18:30:05 2014' __CHEETAH_docstring__ = 'Autogenerated by Cheetah: The Python-Powered Template Engine' if __CHEETAH_versionTuple__ < RequiredCheetahVersionTuple: raise AssertionError( 'This template was compiled with Cheetah version' ' %s. Templates compiled before version %s must be recompiled.'%( __CHEETAH_version__, RequiredCheetahVersion)) ################################################## ## CLASSES class main(Template): ################################################## ## CHEETAH GENERATED METHODS def __init__(self, *args, **KWs): super(main, self).__init__(*args, **KWs) if not self._CHEETAH__instanceInitialized: cheetahKWArgs = {} allowedKWs = 'searchList namespaces filter filtersLib errorCatcher'.split() for k,v in KWs.items(): if k in allowedKWs: cheetahKWArgs[k] = v self._initCheetahInstance(**cheetahKWArgs) def menu(self, title, name, content, **KWS): ## CHEETAH: generated from #def menu($title, $name, $content) at line 37, col 4. trans = KWS.get("trans") if (not trans and not self._CHEETAH__isBuffering and not callable(self.transaction)): trans = self.transaction # is None unless self.awake() was called if not trans: trans = DummyTransaction() _dummyTrans = True else: _dummyTrans = False write = trans.response().write SL = self._CHEETAH__searchList _filter = self._CHEETAH__currentFilter ######################################## ## START - generated method body write(u'''\t\t\t<div id="leftmenu_main">\r \t\t\t\t<div id="leftmenu_top">\r \t\t\t\t\t''') _v = VFFSL(SL,"title",True) # u'$title' on line 40, col 6 if _v is not None: write(_filter(_v, rawExpr=u'$title')) # from line 40, col 6. write(u'''\r ''') if VFFSL(SL,"name",True) in VFFSL(SL,"collapsed",True): # generated from line 41, col 6 write(u'''\t\t\t\t\t<div id="leftmenu_expander_''') _v = VFFSL(SL,"name",True) # u'$name' on line 42, col 33 if _v is not None: write(_filter(_v, rawExpr=u'$name')) # from line 42, col 33. write(u'''" class="leftmenu_icon leftmenu_icon_collapse" onclick="toggleMenu(\'''') _v = VFFSL(SL,"name",True) # u'$name' on line 42, col 106 if _v is not None: write(_filter(_v, rawExpr=u'$name')) # from line 42, col 106. write(u'''\');"></div>\r ''') else: # generated from line 43, col 6 write(u'''\t\t\t\t\t<div id="leftmenu_expander_''') _v = VFFSL(SL,"name",True) # u'$name' on line 44, col 33 if _v is not None: write(_filter(_v, rawExpr=u'$name')) # from line 44, col 33. write(u'''" class="leftmenu_icon" onclick="toggleMenu(\'''') _v = VFFSL(SL,"name",True) # u'$name' on line 44, col 83 if _v is not None: write(_filter(_v, rawExpr=u'$name')) # from line 44, col 83. write(u'''\');"></div>\r ''') write(u'''\t\t\t\t</div>\r ''') if VFFSL(SL,"name",True) in VFFSL(SL,"collapsed",True): # generated from line 47, col 5 write(u'''\t\t\t\t<div id="leftmenu_container_''') _v = VFFSL(SL,"name",True) # u'$name' on line 48, col 33 if _v is not None: write(_filter(_v, rawExpr=u'$name')) # from line 48, col 33. write(u'''" style="display: none;">\r ''') else: # generated from line 49, col 5 write(u'''\t\t\t\t<div id="leftmenu_container_''') _v = VFFSL(SL,"name",True) # u'$name' on line 50, col 33 if _v is not None: write(_filter(_v, rawExpr=u'$name')) # from line 50, col 33. write(u'''">\r ''') write(u'''\t\t\t\t''') _v = VFFSL(SL,"content",True) # u'$content' on line 52, col 5 if _v is not None: write(_filter(_v, rawExpr=u'$content')) # from line 52, col 5. write(u'''\r \t\t\t\t</div>\r \t\t\t</div>\r ''') ######################################## ## END - generated method body return _dummyTrans and trans.response().getvalue() or "" def mainMenu(self, **KWS): ## CHEETAH: generated from #def mainMenu at line 57, col 4. trans = KWS.get("trans") if (not trans and not self._CHEETAH__isBuffering and not callable(self.transaction)): trans = self.transaction # is None unless self.awake() was called if not trans: trans = DummyTransaction() _dummyTrans = True else: _dummyTrans = False write = trans.response().write SL = self._CHEETAH__searchList _filter = self._CHEETAH__currentFilter ######################################## ## START - generated method body write(u'''\t\t\t<ul>\r \t\t\t\t<li><a href=\'#\' onclick="load_maincontent(\'ajax/tv\'); return false;">''') _v = VFFSL(SL,"tstrings",True)['television'] # u"$tstrings['television']" on line 59, col 74 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['television']")) # from line 59, col 74. write(u'''</a></li>\r \t\t\t\t<li><a href=\'#\' onclick="load_maincontent(\'ajax/radio\'); return false;">''') _v = VFFSL(SL,"tstrings",True)['radio'] # u"$tstrings['radio']" on line 60, col 77 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['radio']")) # from line 60, col 77. write(u"""</a></li>\r \t\t\t\t<li><a href='ajax/multiepg2' target=_blank>""") _v = VFFSL(SL,"tstrings",True)['tv_multi_epg'] # u"$tstrings['tv_multi_epg']" on line 61, col 48 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['tv_multi_epg']")) # from line 61, col 48. write(u'''</a></li>\r \t\t\t</ul>\r ''') ######################################## ## END - generated method body return _dummyTrans and trans.response().getvalue() or "" def volumeMenu(self, **KWS): ## CHEETAH: generated from #def volumeMenu at line 65, col 4. trans = KWS.get("trans") if (not trans and not self._CHEETAH__isBuffering and not callable(self.transaction)): trans = self.transaction # is None unless self.awake() was called if not trans: trans = DummyTransaction() _dummyTrans = True else: _dummyTrans = False write = trans.response().write SL = self._CHEETAH__searchList _filter = self._CHEETAH__currentFilter ######################################## ## START - generated method body write(u'''\t\t\t<div class="volslider">\r \t\t\t\t\t<p style="text-align:center; padding-bottom:8px;"> \r \t\t\t\t\t\t<label for="amount">''') _v = VFFSL(SL,"tstrings",True)['volume'] # u"$tstrings['volume']" on line 68, col 27 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['volume']")) # from line 68, col 27. write(u''':</label>\r \t\t\t\t\t\t<input type="text" id="amount" style="border:0; color:#f6931f; font-weight:bold; width:40px;" />\r \t\t\t\t\t</p>\r \t\t\t\t<div id="slider" style="width:130px;"></div>\r \t\t\t</div>\r \t\t\t<div style="width:100%; text-align:center; padding-top:5px; padding-bottom:10px;"><img id="volimage" src="images/volume.png" title="" border="0"></div>\r ''') ######################################## ## END - generated method body return _dummyTrans and trans.response().getvalue() or "" def controlMenu(self, **KWS): ## CHEETAH: generated from #def controlMenu at line 76, col 4. trans = KWS.get("trans") if (not trans and not self._CHEETAH__isBuffering and not callable(self.transaction)): trans = self.transaction # is None unless self.awake() was called if not trans: trans = DummyTransaction() _dummyTrans = True else: _dummyTrans = False write = trans.response().write SL = self._CHEETAH__searchList _filter = self._CHEETAH__currentFilter ######################################## ## START - generated method body write(u'''\t\t\t<ul>\r \t\t\t\t<li><a href=\'#\' onclick="load_maincontent(\'ajax/powerstate\'); return false;">''') _v = VFFSL(SL,"tstrings",True)['powercontrol'] # u"$tstrings['powercontrol']" on line 78, col 82 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['powercontrol']")) # from line 78, col 82. write(u'''</a></li>\r \t\t\t\t<li><a href=\'#\' onclick="load_maincontent(\'ajax/screenshot\'); return false;">''') _v = VFFSL(SL,"tstrings",True)['grabscreenshot'] # u"$tstrings['grabscreenshot']" on line 79, col 82 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['grabscreenshot']")) # from line 79, col 82. write(u'''</a></li>\r \t\t\t\t<li><a href=\'#\' onclick="load_maincontent(\'ajax/message\'); return false;">''') _v = VFFSL(SL,"tstrings",True)['sendamessage'] # u"$tstrings['sendamessage']" on line 80, col 79 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['sendamessage']")) # from line 80, col 79. write(u'''</a></li>\r \t\t\t\t<li><a href=\'#\' onclick="load_maincontent(\'ajax/timers\'); return false;">''') _v = VFFSL(SL,"tstrings",True)['timers'] # u"$tstrings['timers']" on line 81, col 78 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['timers']")) # from line 81, col 78. write(u'''</a></li>\r \t\t\t</ul>\r ''') ######################################## ## END - generated method body return _dummyTrans and trans.response().getvalue() or "" def infoMenu(self, **KWS): ## CHEETAH: generated from #def infoMenu at line 85, col 4. trans = KWS.get("trans") if (not trans and not self._CHEETAH__isBuffering and not callable(self.transaction)): trans = self.transaction # is None unless self.awake() was called if not trans: trans = DummyTransaction() _dummyTrans = True else: _dummyTrans = False write = trans.response().write SL = self._CHEETAH__searchList _filter = self._CHEETAH__currentFilter ######################################## ## START - generated method body write(u'''\t\t\t<ul>\r \t\t\t\t<li><a href="#" onclick="load_maincontent(\'ajax/boxinfo\'); return false">''') _v = VFFSL(SL,"tstrings",True)['box_info'] # u"$tstrings['box_info']" on line 87, col 78 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['box_info']")) # from line 87, col 78. write(u'''</a></li>\r \t\t\t\t<li><a href="#" onclick="load_maincontent(\'ajax/about\'); return false">''') _v = VFFSL(SL,"tstrings",True)['about'] # u"$tstrings['about']" on line 88, col 76 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['about']")) # from line 88, col 76. write(u'''</a></li>\r \t\t\t</ul>\r ''') ######################################## ## END - generated method body return _dummyTrans and trans.response().getvalue() or "" def streamMenu(self, **KWS): ## CHEETAH: generated from #def streamMenu at line 92, col 4. trans = KWS.get("trans") if (not trans and not self._CHEETAH__isBuffering and not callable(self.transaction)): trans = self.transaction # is None unless self.awake() was called if not trans: trans = DummyTransaction() _dummyTrans = True else: _dummyTrans = False write = trans.response().write SL = self._CHEETAH__searchList _filter = self._CHEETAH__currentFilter ######################################## ## START - generated method body write(u'''\t\t\t<ul>\r \t\t\t\t<li><a href=\'#\' onclick="load_maincontent_spin(\'ajax/movies\'); return false;">''') _v = VFFSL(SL,"tstrings",True)['movies'] # u"$tstrings['movies']" on line 94, col 83 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['movies']")) # from line 94, col 83. write(u'''</a></li>\r <!--\t\t\t\t<li><a href=\'#\' onclick="load_maincontent(\'ajax/workinprogress\'); return false;">Web Tv</a></li> -->\r ''') if VFFSL(SL,"zapstream",True): # generated from line 96, col 5 write(u'''\t\t\t\t<li><input type="checkbox" name="zapstream" checked="checked" />''') _v = VFFSL(SL,"tstrings",True)['zapbeforestream'] # u"$tstrings['zapbeforestream']" on line 97, col 69 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['zapbeforestream']")) # from line 97, col 69. write(u'''</li>\r ''') else: # generated from line 98, col 5 write(u'''\t\t\t\t<li><input type="checkbox" name="zapstream" />''') _v = VFFSL(SL,"tstrings",True)['zapbeforestream'] # u"$tstrings['zapbeforestream']" on line 99, col 51 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['zapbeforestream']")) # from line 99, col 51. write(u'''</li>\r ''') write(u'''\t\t\t</ul>\r ''') ######################################## ## END - generated method body return _dummyTrans and trans.response().getvalue() or "" def searchMenu(self, **KWS): ## CHEETAH: generated from #def searchMenu at line 104, col 4. trans = KWS.get("trans") if (not trans and not self._CHEETAH__isBuffering and not callable(self.transaction)): trans = self.transaction # is None unless self.awake() was called if not trans: trans = DummyTransaction() _dummyTrans = True else: _dummyTrans = False write = trans.response().write SL = self._CHEETAH__searchList _filter = self._CHEETAH__currentFilter ######################################## ## START - generated method body write(u'''\t\t\t<form action="" onSubmit="open_epg_search_pop(); return false;">\r \t\t\t\t<div style="width:100%; text-align:center; padding-top:5px;"><input type="text" id="epgSearch" size="14" /></div>\r \t\t\t\t<div style="width:100%; text-align:center;padding-top:5px; padding-bottom:7px;" class="epgsearch"><button>''') _v = VFFSL(SL,"tstrings",True)['search'] # u"$tstrings['search']" on line 107, col 111 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['search']")) # from line 107, col 111. write(u'''</button></div>\r \t\t\t</form>\r ''') ######################################## ## END - generated method body return _dummyTrans and trans.response().getvalue() or "" def remoteMenu(self, **KWS): ## CHEETAH: generated from #def remoteMenu at line 111, col 4. trans = KWS.get("trans") if (not trans and not self._CHEETAH__isBuffering and not callable(self.transaction)): trans = self.transaction # is None unless self.awake() was called if not trans: trans = DummyTransaction() _dummyTrans = True else: _dummyTrans = False write = trans.response().write SL = self._CHEETAH__searchList _filter = self._CHEETAH__currentFilter ######################################## ## START - generated method body write(u'''\t\t\t<div style="width:100%; text-align:center;">\r \t\t\t\t<img src="images/remotes/ow_remote.png" width="135" height="183" usemap="#menuremote" border="0">\r \t\t\t\t<map name="menuremote" >\r \t\t\t\t\t<area shape="circle" coords="67,148,13" alt="ok" onclick="pressMenuRemote(\'352\');">\r \t\t\t\t\t<area shape="circle" coords="68,173,9" alt="down" onclick="pressMenuRemote(\'108\');">\r \t\t\t\t\t<area shape="circle" coords="44,148,9" alt="left" onclick="pressMenuRemote(\'105\');">\r \t\t\t\t\t<area shape="circle" coords="92,147,9" alt="right" onclick="pressMenuRemote(\'106\');">\r \t\t\t\t\t<area shape="circle" coords="68,126,8" alt="up" onclick="pressMenuRemote(\'103\');">\r \t\t\t\t\t<area shape="circle" coords="117,163,10" alt="blue" onclick="pressMenuRemote(\'401\');">\r \t\t\t\t\t<area shape="circle" coords="118,132,11" alt="yellow" onclick="pressMenuRemote(\'400\');">\r \t\t\t\t\t<area shape="circle" coords="18,163,11" alt="green" onclick="pressMenuRemote(\'399\');">\r \t\t\t\t\t<area shape="circle" coords="19,133,10" alt="red" onclick="pressMenuRemote(\'398\');">\r \t\t\t\t\t<area shape="rect" coords="5,89,44,117" alt="menu" onclick="pressMenuRemote(\'139\');">\r \t\t\t\t\t<area shape="rect" coords="90,89,128,117" alt="exit" onclick="pressMenuRemote(\'174\');">\r \t\t\t\t\t<area shape="rect" coords="47,89,87,117" alt="0" onclick="pressMenuRemote(\'11\');">\r \t\t\t\t\t<area shape="rect" coords="90,60,128,86" alt="9" onclick="pressMenuRemote(\'10\');">\r \t\t\t\t\t<area shape="rect" coords="47,60,87,86" alt="8" onclick="pressMenuRemote(\'9\');">\r \t\t\t\t\t<area shape="rect" coords="4,60,44,86" alt="7" onclick="pressMenuRemote(\'8\');">\r \t\t\t\t\t<area shape="rect" coords="90,30,129,57" alt="6" onclick="pressMenuRemote(\'7\');">\r \t\t\t\t\t<area shape="rect" coords="47,30,87,57" alt="5" onclick="pressMenuRemote(\'6\');">\r \t\t\t\t\t<area shape="rect" coords="4,30,44,57" alt="4" onclick="pressMenuRemote(\'5\');">\r \t\t\t\t\t<area shape="rect" coords="90,0,129,27" alt="3" onclick="pressMenuRemote(\'4\');">\r \t\t\t\t\t<area shape="rect" coords="46,0,88,28" alt="2" onclick="pressMenuRemote(\'3\');">\r \t\t\t\t\t<area shape="rect" coords="5,0,45,28" alt="1" onclick="pressMenuRemote(\'2\');">\r \t\t\t\t</map>\r \t\t\t\t<div id="help">\r \t\t\t\t\t''') _v = VFFSL(SL,"tstrings",True)['shiftforlong'] # u"$tstrings['shiftforlong']" on line 138, col 6 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['shiftforlong']")) # from line 138, col 6. write(u'''\r \t\t\t\t</div>\r \t\t\t\t<ul>\r ''') if VFFSL(SL,"remotegrabscreenshot",True): # generated from line 141, col 6 write(u'''\t\t\t\t\t<li><input type="checkbox" name="remotegrabscreen" checked="checked" />''') _v = VFFSL(SL,"tstrings",True)['grabscreenshot'] # u"$tstrings['grabscreenshot']" on line 142, col 77 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['grabscreenshot']")) # from line 142, col 77. write(u'''</li>\r ''') else: # generated from line 143, col 6 write(u'''\t\t\t\t\t<li><input type="checkbox" name="remotegrabscreen" />''') _v = VFFSL(SL,"tstrings",True)['grabscreenshot'] # u"$tstrings['grabscreenshot']" on line 144, col 59 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['grabscreenshot']")) # from line 144, col 59. write(u'''</li>\r ''') write(u'''\t\t\t\t\t<li><a href="#" onclick="toggleFullRemote(); return false;">''') _v = VFFSL(SL,"tstrings",True)['showfullremote'] # u"$tstrings['showfullremote']" on line 146, col 66 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['showfullremote']")) # from line 146, col 66. write(u'''</a></li>\r \t\t\t\t</ul>\r \t\t\t</div>\r ''') ######################################## ## END - generated method body return _dummyTrans and trans.response().getvalue() or "" def extrasMenu(self, **KWS): ## CHEETAH: generated from #def extrasMenu at line 151, col 4. trans = KWS.get("trans") if (not trans and not self._CHEETAH__isBuffering and not callable(self.transaction)): trans = self.transaction # is None unless self.awake() was called if not trans: trans = DummyTransaction() _dummyTrans = True else: _dummyTrans = False write = trans.response().write SL = self._CHEETAH__searchList _filter = self._CHEETAH__currentFilter ######################################## ## START - generated method body write(u'''\t\t\t<ul>\r ''') for extra in VFFSL(SL,"extras",True): # generated from line 153, col 5 if VFN(VFFSL(SL,"extra",True)["key"],"endswith",False)('lcd4linux/config'): # generated from line 154, col 6 write(u"""\t\t\t\t\t\t<li><a href='""") _v = VFFSL(SL,"extra",True)["key"] # u'$extra["key"]' on line 155, col 20 if _v is not None: write(_filter(_v, rawExpr=u'$extra["key"]')) # from line 155, col 20. write(u"""' target='_blank'>""") _v = VFFSL(SL,"extra",True)["description"] # u'$extra["description"]' on line 155, col 51 if _v is not None: write(_filter(_v, rawExpr=u'$extra["description"]')) # from line 155, col 51. write(u'''</a></li>\r ''') else: # generated from line 156, col 6 write(u'''\t\t\t\t\t\t<li><a href=\'#\' onclick="load_maincontent(\'''') _v = VFFSL(SL,"extra",True)["key"] # u'$extra["key"]' on line 157, col 50 if _v is not None: write(_filter(_v, rawExpr=u'$extra["key"]')) # from line 157, col 50. write(u'''\'); return false;">''') _v = VFFSL(SL,"extra",True)["description"] # u'$extra["description"]' on line 157, col 82 if _v is not None: write(_filter(_v, rawExpr=u'$extra["description"]')) # from line 157, col 82. write(u'''</a></li>\r ''') write(u'''\t\t\t</ul>\r ''') ######################################## ## END - generated method body return _dummyTrans and trans.response().getvalue() or "" def respond(self, trans=None): ## CHEETAH: main method generated for this template if (not trans and not self._CHEETAH__isBuffering and not callable(self.transaction)): trans = self.transaction # is None unless self.awake() was called if not trans: trans = DummyTransaction() _dummyTrans = True else: _dummyTrans = False write = trans.response().write SL = self._CHEETAH__searchList _filter = self._CHEETAH__currentFilter ######################################## ## START - generated method body write(u'''\r <!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">\r <html xmlns="http://www.w3.org/1999/xhtml">\r <head>\r <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />\r <link rel="shortcut icon" href="/images/favicon.png">\r <link rel="stylesheet" type="text/css" href="/css/style.css" />\r <link type="text/css" href="/css/jquery-ui-1.8.18.custom.css" rel="stylesheet" />\t\r <script type="text/javascript" src="/js/jquery-1.6.2.min.js"></script>\r <script type="text/javascript" src="/js/jquery-ui-1.8.18.custom.min.js"></script>\r <script type="text/javascript" src="/js/openwebif.js"></script>\r <script type="text/javascript" src="/js/transcoding.js"></script>\r <script type="text/javascript">initJsTranslation(''') _v = VFFSL(SL,"dumps",False)(VFFSL(SL,"tstrings",True)) # u'$dumps($tstrings)' on line 15, col 50 if _v is not None: write(_filter(_v, rawExpr=u'$dumps($tstrings)')) # from line 15, col 50. write(u''')</script>\r <title>Open Webif</title>\r </head>\r \r <body>\r \t<div id="container">\r \t\t<div id="header">\r \t\t\t<h1><a href="/">Open<span class="off">Webif</span></a></h1>\r \t\t\t<h2>''') _v = VFFSL(SL,"tstrings",True)['openwebif_header'] # u"$tstrings['openwebif_header']" on line 23, col 8 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['openwebif_header']")) # from line 23, col 8. write(u'''</h2>\r \t\t</div>\r \t\t\r \t\t<div id="statusheader">\r \t\t\t<div id="osd">''') _v = VFFSL(SL,"tstrings",True)['nothing_play'] # u"$tstrings['nothing_play']" on line 27, col 18 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['nothing_play']")) # from line 27, col 18. write(u'''</div>\r \t\t\t<div id="osd_status"></div>\r \t\t\t<div id="osd_bottom"></div>\r \t\t</div>\r \t\t\r \t\t<div id="dialog" title="Work in progress">\r \t\t\t<p>Sorry, this function is not yet implemented.</p>\r \t\t</div>\r \t\t\r \t\t<div id="leftmenu">\r \t\t\r \t\t\r \r \t\t\r \t\t\r \t\t\r \t\t\t\r \t\t\t\r \t\t\r \t\t\t<div id="menucontainer">\r \t\t\t\t''') _v = VFFSL(SL,"menu",False)(VFFSL(SL,"tstrings",True)['main'], "main", VFFSL(SL,"mainMenu",True)) # u'$menu($tstrings[\'main\'], "main", $mainMenu)' on line 164, col 5 if _v is not None: write(_filter(_v, rawExpr=u'$menu($tstrings[\'main\'], "main", $mainMenu)')) # from line 164, col 5. write(u'''\r \t\t\t\t''') _v = VFFSL(SL,"menu",False)(VFFSL(SL,"tstrings",True)['volumecontrol'], "volume", VFFSL(SL,"volumeMenu",True)) # u'$menu($tstrings[\'volumecontrol\'], "volume", $volumeMenu)' on line 165, col 5 if _v is not None: write(_filter(_v, rawExpr=u'$menu($tstrings[\'volumecontrol\'], "volume", $volumeMenu)')) # from line 165, col 5. write(u'''\r \t\t\t\t''') _v = VFFSL(SL,"menu",False)(VFFSL(SL,"tstrings",True)['boxcontrol'], "control", VFFSL(SL,"controlMenu",True)) # u'$menu($tstrings[\'boxcontrol\'], "control", $controlMenu)' on line 166, col 5 if _v is not None: write(_filter(_v, rawExpr=u'$menu($tstrings[\'boxcontrol\'], "control", $controlMenu)')) # from line 166, col 5. write(u'''\r \t\t\t\t''') _v = VFFSL(SL,"menu",False)(VFFSL(SL,"tstrings",True)['remote'], "remote", VFFSL(SL,"remoteMenu",True)) # u'$menu($tstrings[\'remote\'], "remote", $remoteMenu)' on line 167, col 5 if _v is not None: write(_filter(_v, rawExpr=u'$menu($tstrings[\'remote\'], "remote", $remoteMenu)')) # from line 167, col 5. write(u'''\r \t\t\t\t''') _v = VFFSL(SL,"menu",False)(VFFSL(SL,"tstrings",True)['info'], "info", VFFSL(SL,"infoMenu",True)) # u'$menu($tstrings[\'info\'], "info", $infoMenu)' on line 168, col 5 if _v is not None: write(_filter(_v, rawExpr=u'$menu($tstrings[\'info\'], "info", $infoMenu)')) # from line 168, col 5. write(u'''\r \t\t\t\t''') _v = VFFSL(SL,"menu",False)(VFFSL(SL,"tstrings",True)['stream'], "stream", VFFSL(SL,"streamMenu",True)) # u'$menu($tstrings[\'stream\'], "stream", $streamMenu)' on line 169, col 5 if _v is not None: write(_filter(_v, rawExpr=u'$menu($tstrings[\'stream\'], "stream", $streamMenu)')) # from line 169, col 5. write(u'''\r \t\t\t\t''') _v = VFFSL(SL,"menu",False)(VFFSL(SL,"tstrings",True)['extras'], "extras", VFFSL(SL,"extrasMenu",True)) # u'$menu($tstrings[\'extras\'], "extras", $extrasMenu)' on line 170, col 5 if _v is not None: write(_filter(_v, rawExpr=u'$menu($tstrings[\'extras\'], "extras", $extrasMenu)')) # from line 170, col 5. write(u'''\r \t\t\t\t''') _v = VFFSL(SL,"menu",False)(VFFSL(SL,"tstrings",True)['epgsearch'], "search", VFFSL(SL,"searchMenu",True)) # u'$menu($tstrings[\'epgsearch\'], "search", $searchMenu)' on line 171, col 5 if _v is not None: write(_filter(_v, rawExpr=u'$menu($tstrings[\'epgsearch\'], "search", $searchMenu)')) # from line 171, col 5. write(u'''\r \t\t\t</div>\r \t\t\t<div id="remotecontainer" style="display: none;">\r \t\t\t\t<div id="leftmenu_main">\r \t\t\t\t\t<div id="leftmenu_top">''') _v = VFFSL(SL,"tstrings",True)['remote'] # u"$tstrings['remote']" on line 175, col 29 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['remote']")) # from line 175, col 29. write(u'''</div>\r \t\t\t\t\t<div style="width:100%; text-align:center;">\r \t\t\t\t\t\t<div id="remote_container" style="width:100%; text-align:center;"></div>\r \t\t\t\t\t\t<script type="text/javascript">\r \t\t\t\t\t\t\t$(document).ready(function() {\r \t\t\t\t\t\t\t\t$("#remote_container").load("/static/remotes/''') _v = VFFSL(SL,"remote",True) # u'${remote}' on line 180, col 55 if _v is not None: write(_filter(_v, rawExpr=u'${remote}')) # from line 180, col 55. write(u'''.html");\r \t\t\t\t\t\t\t});\r \t\t\t\t\t\t</script>\r \t\t\t\t\t\t<div id="help">\r \t\t\t\t\t\t\t''') _v = VFFSL(SL,"tstrings",True)['shiftforlong'] # u"$tstrings['shiftforlong']" on line 184, col 8 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['shiftforlong']")) # from line 184, col 8. write(u'''\r \t\t\t\t\t\t</div>\r \t\t\t\t\t\t<ul>\r ''') if VFFSL(SL,"remotegrabscreenshot",True): # generated from line 187, col 8 write(u'''\t\t\t\t\t\t\t<li><input type="checkbox" name="remotegrabscreen" checked="checked" />''') _v = VFFSL(SL,"tstrings",True)['grabscreenshot'] # u"$tstrings['grabscreenshot']" on line 188, col 79 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['grabscreenshot']")) # from line 188, col 79. write(u'''</li>\r ''') else: # generated from line 189, col 8 write(u'''\t\t\t\t\t\t\t<li><input type="checkbox" name="remotegrabscreen" />''') _v = VFFSL(SL,"tstrings",True)['grabscreenshot'] # u"$tstrings['grabscreenshot']" on line 190, col 61 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['grabscreenshot']")) # from line 190, col 61. write(u'''</li>\r ''') write(u'''\t\t\t\t\t\t\t<li><a href="#" onclick="toggleFullRemote(); return false;" class="leftmenu_remotelink">''') _v = VFFSL(SL,"tstrings",True)['hidefullremote'] # u"$tstrings['hidefullremote']" on line 192, col 96 if _v is not None: write(_filter(_v, rawExpr=u"$tstrings['hidefullremote']")) # from line 192, col 96. write(u'''</a></li>\r \t\t\t\t\t\t</ul>\r \t\t\t\t\t</div>\r \t\t\t\t</div>\r \t\t\t</div>\r \t\t</div>\r \t\t\r \t\t<div id="content">\r \t\t\t<div id="content_container">\r \t\t\t''') _v = VFFSL(SL,"content",True) # u'$content' on line 201, col 4 if _v is not None: write(_filter(_v, rawExpr=u'$content')) # from line 201, col 4. write(u'''\r \t\t\t</div>\r \t\t\t<div id="footer"><h3>&nbsp;&nbsp;<a href="https://github.com/E2OpenPlugins">E2OpenPlugins</a> | <a href="http://www.vuplus-community.net">Black Hole</a> | <a href="http://www.hdmedia-universe.com">HDMU</a> | <a href="http://openpli.org">OpenPli</a> | <a href="http://forum.sifteam.eu">Sif</a> | <a href="http://www.vuplus-support.org">VTi</a> | <a href="http://openspa.info">OpenSpa</a></h3></div>\r \t\t</div>\r \t</div>\r \t<form name="portForm" action="/web/stream.m3u" method="GET" target="_blank">\r \t\t<input type="hidden" name="ref">\r \t\t<input type="hidden" name="name">\r \t\t<input type="hidden" name="device">\r \t</form>\r \t<form name="portFormTs" action="/web/ts.m3u" method="GET" target="_blank">\r \t\t<input type="hidden" name="file">\r \t\t<input type="hidden" name="device">\r \t</form>\r </body>\r \r </html>\r ''') ######################################## ## END - generated method body return _dummyTrans and trans.response().getvalue() or "" ################################################## ## CHEETAH GENERATED ATTRIBUTES _CHEETAH__instanceInitialized = False _CHEETAH_version = __CHEETAH_version__ _CHEETAH_versionTuple = __CHEETAH_versionTuple__ _CHEETAH_genTime = __CHEETAH_genTime__ _CHEETAH_genTimestamp = __CHEETAH_genTimestamp__ _CHEETAH_src = __CHEETAH_src__ _CHEETAH_srcLastModified = __CHEETAH_srcLastModified__ _mainCheetahMethod_for_main= 'respond' ## END CLASS DEFINITION if not hasattr(main, '_initCheetahAttributes'): templateAPIClass = getattr(main, '_CHEETAH_templateClass', Template) templateAPIClass._addCheetahPlumbingCodeToClass(main) # CHEETAH was developed by Tavis Rudd and Mike Orr # with code, advice and input from many other volunteers. # For more information visit http://www.CheetahTemplate.org/ ################################################## ## if run from command line: if __name__ == '__main__': from Cheetah.TemplateCmdLineIface import CmdLineIface CmdLineIface(templateObj=main()).run()
MOA-2011/enigma2-plugin-extensions-openwebif
plugin/controllers/views/main.py
Python
gpl-2.0
34,105
[ "VisIt" ]
dfe4e9e944dfae2a29c58c24adb6265dc99c36ce27f793148a775f4c1243be85
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2016 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation; either version 2 of the License, or # (at your option) any later version. # # This program is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # # You should have received a copy of the GNU General Public License along # with this program; if not, write to the Free Software Foundation, Inc., # 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. # # @END LICENSE # """ | Database (Hobza) of interaction energies for bimolecular complexes. | Geometries from <Reference>. | Reference interaction energies from Rezac and Hobza, JCTC (in press). - **cp** ``'off'`` <erase this comment and after unless on is a valid option> || ``'on'`` - **rlxd** ``'off'`` <erase this comment and after unless on is valid option> || ``'on'`` - **benchmark** - ``'<benchmark_name>'`` <Reference>. - |dl| ``'<default_benchmark_name>'`` |dr| <Reference>. - **subset** - ``'small'`` <members_description> - ``'large'`` <members_description> - ``'<subset>'`` <members_description> """ import re import qcdb # <<< A24 Database Module >>> dbse = 'A24' # <<< Database Members >>> HRXN = [1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24] HRXN_SM = [] HRXN_LG = [] # <<< Chemical Systems Involved >>> RXNM = {} # reaction matrix of reagent contributions per reaction ACTV = {} # order of active reagents per reaction ACTV_CP = {} # order of active reagents per counterpoise-corrected reaction ACTV_SA = {} # order of active reagents for non-supermolecular calculations for rxn in HRXN: RXNM[ '%s-%s' % (dbse, rxn)] = {'%s-%s-dimer' % (dbse, rxn) : +1, '%s-%s-monoA-CP' % (dbse, rxn) : -1, '%s-%s-monoB-CP' % (dbse, rxn) : -1, '%s-%s-monoA-unCP' % (dbse, rxn) : -1, '%s-%s-monoB-unCP' % (dbse, rxn) : -1 } ACTV_SA['%s-%s' % (dbse, rxn)] = ['%s-%s-dimer' % (dbse, rxn) ] ACTV_CP['%s-%s' % (dbse, rxn)] = ['%s-%s-dimer' % (dbse, rxn), '%s-%s-monoA-CP' % (dbse, rxn), '%s-%s-monoB-CP' % (dbse, rxn) ] ACTV[ '%s-%s' % (dbse, rxn)] = ['%s-%s-dimer' % (dbse, rxn), '%s-%s-monoA-unCP' % (dbse, rxn), '%s-%s-monoB-unCP' % (dbse, rxn) ] # <<< Reference Values [kcal/mol] from Rezac and Hobza dx.doi.org/10.1021/ct400057w >>> BIND = {} BIND['%s-%s' % (dbse, 1 )] = -6.524 BIND['%s-%s' % (dbse, 2 )] = -5.014 BIND['%s-%s' % (dbse, 3 )] = -4.749 BIND['%s-%s' % (dbse, 4 )] = -4.572 BIND['%s-%s' % (dbse, 5 )] = -3.157 BIND['%s-%s' % (dbse, 6 )] = -1.679 BIND['%s-%s' % (dbse, 7 )] = -0.779 BIND['%s-%s' % (dbse, 8 )] = -0.672 BIND['%s-%s' % (dbse, 9 )] = -4.474 BIND['%s-%s' % (dbse, 10 )] = -2.578 BIND['%s-%s' % (dbse, 11 )] = -1.629 BIND['%s-%s' % (dbse, 12 )] = -1.537 BIND['%s-%s' % (dbse, 13 )] = -1.389 BIND['%s-%s' % (dbse, 14 )] = -1.110 BIND['%s-%s' % (dbse, 15 )] = -0.514 BIND['%s-%s' % (dbse, 16 )] = -1.518 BIND['%s-%s' % (dbse, 17 )] = -0.837 BIND['%s-%s' % (dbse, 18 )] = -0.615 BIND['%s-%s' % (dbse, 19 )] = -0.538 BIND['%s-%s' % (dbse, 20 )] = -0.408 BIND['%s-%s' % (dbse, 21 )] = -0.370 BIND['%s-%s' % (dbse, 22 )] = 0.784 BIND['%s-%s' % (dbse, 23 )] = 0.897 BIND['%s-%s' % (dbse, 24 )] = 1.075 # <<< Comment Lines >>> TAGL = {} TAGL['%s-%s' % (dbse, 1)] = """ water_ammonia_Cs """ TAGL['%s-%s-dimer' % (dbse, 1)] = """Dimer from water_ammonia_Cs """ TAGL['%s-%s-monoA-CP' % (dbse, 1)] = """Monomer A water_ammonia_Cs """ TAGL['%s-%s-monoB-CP' % (dbse, 1)] = """Monomer B water_ammonia_Cs """ TAGL['%s-%s-monoA-unCP' % (dbse, 1)] = """Monomer A water_ammonia_Cs """ TAGL['%s-%s-monoB-unCP' % (dbse, 1)] = """Monomer B water_ammonia_Cs """ TAGL['%s-%s' % (dbse, 2)] = """ water_water_Cs """ TAGL['%s-%s-dimer' % (dbse, 2)] = """Dimer from water_water_Cs """ TAGL['%s-%s-monoA-CP' % (dbse, 2)] = """Monomer A from water_water_Cs """ TAGL['%s-%s-monoB-CP' % (dbse, 2)] = """Monomer B from water_water_Cs """ TAGL['%s-%s-monoA-unCP' % (dbse, 2)] = """Monomer A from water_water_Cs """ TAGL['%s-%s-monoB-unCP' % (dbse, 2)] = """Monomer B from water_water_Cs """ TAGL['%s-%s' % (dbse, 3)] = """ HCN_HCN_Cxv """ TAGL['%s-%s-dimer' % (dbse, 3)] = """Dimer from HCN_HCN_Cxv """ TAGL['%s-%s-monoA-CP' % (dbse, 3)] = """Monomer A from HCN_HCN_Cxv """ TAGL['%s-%s-monoB-CP' % (dbse, 3)] = """Monomer B from HCN_HCN_Cxv """ TAGL['%s-%s-monoA-unCP' % (dbse, 3)] = """Monomer A from HCN_HCN_Cxv """ TAGL['%s-%s-monoB-unCP' % (dbse, 3)] = """Monomer B from HCN_HCN_Cxv """ TAGL['%s-%s' % (dbse, 4)] = """ HF_HF_Cs """ TAGL['%s-%s-dimer' % (dbse, 4)] = """Dimer from HF_HF_Cs """ TAGL['%s-%s-monoA-CP' % (dbse, 4)] = """Monomer A from HF_HF_Cs """ TAGL['%s-%s-monoB-CP' % (dbse, 4)] = """Monomer B from HF_HF_Cs """ TAGL['%s-%s-monoA-unCP' % (dbse, 4)] = """Monomer A from HF_HF_Cs """ TAGL['%s-%s-monoB-unCP' % (dbse, 4)] = """Monomer B from HF_HF_Cs """ TAGL['%s-%s' % (dbse, 5)] = """ ammonia_ammonia_C2h """ TAGL['%s-%s-dimer' % (dbse, 5)] = """Dimer from ammonia_ammonia_C2h """ TAGL['%s-%s-monoA-CP' % (dbse, 5)] = """Monomer A from ammonia_ammonia_C2h """ TAGL['%s-%s-monoB-CP' % (dbse, 5)] = """Monomer B from ammonia_ammonia_C2h """ TAGL['%s-%s-monoA-unCP' % (dbse, 5)] = """Monomer A from ammonia_ammonia_C2h """ TAGL['%s-%s-monoB-unCP' % (dbse, 5)] = """Monomer B from ammonia_ammonia_C2h """ TAGL['%s-%s' % (dbse, 6)] = """ methane_HF_C3v """ TAGL['%s-%s-dimer' % (dbse, 6)] = """Dimer from methane_HF_C3v """ TAGL['%s-%s-monoA-CP' % (dbse, 6)] = """Monomer A from methane_HF_C3v """ TAGL['%s-%s-monoB-CP' % (dbse, 6)] = """Monomer B from methane_HF_C3v """ TAGL['%s-%s-monoA-unCP' % (dbse, 6)] = """Monomer A from methane_HF_C3v """ TAGL['%s-%s-monoB-unCP' % (dbse, 6)] = """Monomer B from methane_HF_C3v """ TAGL['%s-%s' % (dbse, 7)] = """ ammmonia_methane_C3v """ TAGL['%s-%s-dimer' % (dbse, 7)] = """Dimer from ammmonia_methane_C3v """ TAGL['%s-%s-monoA-CP' % (dbse, 7)] = """Monomer A from ammmonia_methane_C3v """ TAGL['%s-%s-monoB-CP' % (dbse, 7)] = """Monomer B from ammmonia_methane_C3v """ TAGL['%s-%s-monoA-unCP' % (dbse, 7)] = """Monomer A from ammmonia_methane_C3v """ TAGL['%s-%s-monoB-unCP' % (dbse, 7)] = """Monomer B from ammmonia_methane_C3v """ TAGL['%s-%s' % (dbse, 8)] = """ methane_water_Cs """ TAGL['%s-%s-dimer' % (dbse, 8)] = """Dimer from methane_water_Cs """ TAGL['%s-%s-monoA-CP' % (dbse, 8)] = """Monomer A from methane_water_Cs """ TAGL['%s-%s-monoB-CP' % (dbse, 8)] = """Monomer B from methane_water_Cs """ TAGL['%s-%s-monoA-unCP' % (dbse, 8)] = """Monomer A from methane_water_Cs """ TAGL['%s-%s-monoB-unCP' % (dbse, 8)] = """Monomer B from methane_water_Cs """ TAGL['%s-%s' % (dbse, 9)] = """ formaldehyde_formaldehyde_Cs """ TAGL['%s-%s-dimer' % (dbse, 9)] = """Dimer from formaldehyde_formaldehyde_Cs """ TAGL['%s-%s-monoA-CP' % (dbse, 9)] = """Monomer A from formaldehyde_formaldehyde_Cs """ TAGL['%s-%s-monoB-CP' % (dbse, 9)] = """Monomer B from formaldehyde_formaldehyde_Cs """ TAGL['%s-%s-monoA-unCP' % (dbse, 9)] = """Monomer A from formaldehyde_formaldehyde_Cs """ TAGL['%s-%s-monoB-unCP' % (dbse, 9)] = """Monomer B from formaldehyde_formaldehyde_Cs """ TAGL['%s-%s' % (dbse, 10)] = """ ethene_wat_Cs """ TAGL['%s-%s-dimer' % (dbse, 10)] = """Dimer from ethene_wat_Cs """ TAGL['%s-%s-monoA-CP' % (dbse, 10)] = """Monomer A from ethene_wat_Cs """ TAGL['%s-%s-monoB-CP' % (dbse, 10)] = """Monomer B from ethene_wat_Cs """ TAGL['%s-%s-monoA-unCP' % (dbse, 10)] = """Monomer A from ethene_wat_Cs """ TAGL['%s-%s-monoB-unCP' % (dbse, 10)] = """Monomer B from ethene_wat_Cs """ TAGL['%s-%s' % (dbse, 11)] = """ ethene_formaldehyde_Cs """ TAGL['%s-%s-dimer' % (dbse, 11)] = """Dimer from ethene_formaldehyde_Cs """ TAGL['%s-%s-monoA-CP' % (dbse, 11)] = """Monomer A from ethene_formaldehyde_Cs """ TAGL['%s-%s-monoB-CP' % (dbse, 11)] = """Monomer B from ethene_formaldehyde_Cs """ TAGL['%s-%s-monoA-unCP' % (dbse, 11)] = """Monomer A from ethene_formaldehyde_Cs """ TAGL['%s-%s-monoB-unCP' % (dbse, 11)] = """Monomer B from ethene_formaldehyde_Cs """ TAGL['%s-%s' % (dbse, 12)] = """ ethyne_ethyne_C2v """ TAGL['%s-%s-dimer' % (dbse, 12)] = """Dimer from ethyne_ethyne_C2v """ TAGL['%s-%s-monoA-CP' % (dbse, 12)] = """Monomer A from ethyne_ethyne_C2v """ TAGL['%s-%s-monoB-CP' % (dbse, 12)] = """Monomer B from ethyne_ethyne_C2v """ TAGL['%s-%s-monoA-unCP' % (dbse, 12)] = """Monomer A from ethyne_ethyne_C2v """ TAGL['%s-%s-monoB-unCP' % (dbse, 12)] = """Monomer B from ethyne_ethyne_C2v """ TAGL['%s-%s' % (dbse, 13)] = """ ethene_ammonia_Cs """ TAGL['%s-%s-dimer' % (dbse, 13)] = """Dimer from ethene_ammonia_Cs """ TAGL['%s-%s-monoA-CP' % (dbse, 13)] = """Monomer A from ethene_ammonia_Cs """ TAGL['%s-%s-monoB-CP' % (dbse, 13)] = """Monomer B from ethene_ammonia_Cs """ TAGL['%s-%s-monoA-unCP' % (dbse, 13)] = """Monomer A from ethene_ammonia_Cs """ TAGL['%s-%s-monoB-unCP' % (dbse, 13)] = """Monomer B from ethene_ammonia_Cs """ TAGL['%s-%s' % (dbse, 14)] = """ ethene_ethene_C2v """ TAGL['%s-%s-dimer' % (dbse, 14)] = """Dimer from ethene_ethene_C2v """ TAGL['%s-%s-monoA-CP' % (dbse, 14)] = """Monomer A from ethene_ethene_C2v """ TAGL['%s-%s-monoB-CP' % (dbse, 14)] = """Monomer B from ethene_ethene_C2v """ TAGL['%s-%s-monoA-unCP' % (dbse, 14)] = """Monomer A from ethene_ethene_C2v """ TAGL['%s-%s-monoB-unCP' % (dbse, 14)] = """Monomer B from ethene_ethene_C2v """ TAGL['%s-%s' % (dbse, 15)] = """ methane_ethene_Cs """ TAGL['%s-%s-dimer' % (dbse, 15)] = """Dimer from methane_ethene_Cs """ TAGL['%s-%s-monoA-CP' % (dbse, 15)] = """Monomer A from methane_ethene_Cs """ TAGL['%s-%s-monoB-CP' % (dbse, 15)] = """Monomer B from methane_ethene_Cs """ TAGL['%s-%s-monoA-unCP' % (dbse, 15)] = """Monomer A from methane_ethene_Cs """ TAGL['%s-%s-monoB-unCP' % (dbse, 15)] = """Monomer B from methane_ethene_Cs """ TAGL['%s-%s' % (dbse, 16)] = """ borane_methane_Cs """ TAGL['%s-%s-dimer' % (dbse, 16)] = """Dimer from borane_methane_Cs """ TAGL['%s-%s-monoA-CP' % (dbse, 16)] = """Monomer A from borane_methane_Cs """ TAGL['%s-%s-monoB-CP' % (dbse, 16)] = """Monomer B from borane_methane_Cs """ TAGL['%s-%s-monoA-unCP' % (dbse, 16)] = """Monomer A from borane_methane_Cs """ TAGL['%s-%s-monoB-unCP' % (dbse, 16)] = """Monomer B from borane_methane_Cs """ TAGL['%s-%s' % (dbse, 17)] = """ methane_ethane_Cs """ TAGL['%s-%s-dimer' % (dbse, 17)] = """Dimer from methane_ethane_Cs """ TAGL['%s-%s-monoA-CP' % (dbse, 17)] = """Monomer A from methane_ethane_Cs """ TAGL['%s-%s-monoB-CP' % (dbse, 17)] = """Monomer B from methane_ethane_Cs """ TAGL['%s-%s-monoA-unCP' % (dbse, 17)] = """Monomer A from methane_ethane_Cs """ TAGL['%s-%s-monoB-unCP' % (dbse, 17)] = """Monomer B from methane_ethane_Cs """ TAGL['%s-%s' % (dbse, 18)] = """ methane_ethane_C3 """ TAGL['%s-%s-dimer' % (dbse, 18)] = """Dimer from methane_ethane_C3 """ TAGL['%s-%s-monoA-CP' % (dbse, 18)] = """Monomer A from methane_ethane_C3 """ TAGL['%s-%s-monoB-CP' % (dbse, 18)] = """Monomer B from methane_ethane_C3 """ TAGL['%s-%s-monoA-unCP' % (dbse, 18)] = """Monomer A from methane_ethane_C3 """ TAGL['%s-%s-monoB-unCP' % (dbse, 18)] = """Monomer B from methane_ethane_C3 """ TAGL['%s-%s' % (dbse, 19)] = """ methane_methane_D3d """ TAGL['%s-%s-dimer' % (dbse, 19)] = """Dimer from methane_methane_D3d """ TAGL['%s-%s-monoA-CP' % (dbse, 19)] = """Monomer A from methane_methane_D3d """ TAGL['%s-%s-monoB-CP' % (dbse, 19)] = """Monomer B from methane_methane_D3d """ TAGL['%s-%s-monoA-unCP' % (dbse, 19)] = """Monomer A from methane_methane_D3d """ TAGL['%s-%s-monoB-unCP' % (dbse, 19)] = """Monomer B from methane_methane_D3d """ TAGL['%s-%s' % (dbse, 20)] = """ methane_Ar_C3v """ TAGL['%s-%s-dimer' % (dbse, 20)] = """Dimer from methane_Ar_C3v """ TAGL['%s-%s-monoA-CP' % (dbse, 20)] = """Monomer A from methane_Ar_C3v """ TAGL['%s-%s-monoB-CP' % (dbse, 20)] = """Monomer B from methane_Ar_C3v """ TAGL['%s-%s-monoA-unCP' % (dbse, 20)] = """Monomer A from methane_Ar_C3v """ TAGL['%s-%s-monoB-unCP' % (dbse, 20)] = """Monomer B from methane_Ar_C3v """ TAGL['%s-%s' % (dbse, 21)] = """ ethene_Ar_C2v """ TAGL['%s-%s-dimer' % (dbse, 21)] = """Dimer from ethene_Ar_C2v """ TAGL['%s-%s-monoA-CP' % (dbse, 21)] = """Monomer A from ethene_Ar_C2v """ TAGL['%s-%s-monoB-CP' % (dbse, 21)] = """Monomer B from ethene_Ar_C2v """ TAGL['%s-%s-monoA-unCP' % (dbse, 21)] = """Monomer A from ethene_Ar_C2v """ TAGL['%s-%s-monoB-unCP' % (dbse, 21)] = """Monomer B from ethene_Ar_C2v """ TAGL['%s-%s' % (dbse, 22)] = """ ethene_ethyne_C2v """ TAGL['%s-%s-dimer' % (dbse, 22)] = """Dimer from ethene_ethyne_C2v """ TAGL['%s-%s-monoA-CP' % (dbse, 22)] = """Monomer A from ethene_ethyne_C2v """ TAGL['%s-%s-monoB-CP' % (dbse, 22)] = """Monomer B from ethene_ethyne_C2v """ TAGL['%s-%s-monoA-unCP' % (dbse, 22)] = """Monomer A from ethene_ethyne_C2v """ TAGL['%s-%s-monoB-unCP' % (dbse, 22)] = """Monomer B from ethene_ethyne_C2v """ TAGL['%s-%s' % (dbse, 23)] = """ ethene_ethene_D2h """ TAGL['%s-%s-dimer' % (dbse, 23)] = """Dimer from ethene_ethene_D2h """ TAGL['%s-%s-monoA-CP' % (dbse, 23)] = """Monomer A from ethene_ethene_D2h """ TAGL['%s-%s-monoB-CP' % (dbse, 23)] = """Monomer B from ethene_ethene_D2h """ TAGL['%s-%s-monoA-unCP' % (dbse, 23)] = """Monomer A from ethene_ethene_D2h """ TAGL['%s-%s-monoB-unCP' % (dbse, 23)] = """Monomer B from ethene_ethene_D2h """ TAGL['%s-%s' % (dbse, 24)] = """ ethyne_ethyne_D2h """ TAGL['%s-%s-dimer' % (dbse, 24)] = """Dimer from ethyne_ethyne_D2h """ TAGL['%s-%s-monoA-CP' % (dbse, 24)] = """Monomer A from ethyne_ethyne_D2h """ TAGL['%s-%s-monoB-CP' % (dbse, 24)] = """Monomer B from ethyne_ethyne_D2h """ TAGL['%s-%s-monoA-unCP' % (dbse, 24)] = """Monomer A from ethyne_ethyne_D2h """ TAGL['%s-%s-monoB-unCP' % (dbse, 24)] = """Monomer B from ethyne_ethyne_D2h """ # <<< Geometry Specification Strings >>> GEOS = {} GEOS['%s-%s-dimer' % (dbse, '1')] = qcdb.Molecule(""" 0 1 O 0.00000000 -0.05786571 -1.47979303 H 0.00000000 0.82293384 -1.85541474 H 0.00000000 0.07949567 -0.51934253 -- 0 1 N 0.00000000 0.01436394 1.46454628 H 0.00000000 -0.98104857 1.65344779 H -0.81348351 0.39876776 1.92934049 H 0.81348351 0.39876776 1.92934049 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '2')] = qcdb.Molecule(""" 0 1 O -0.06699914 0.00000000 1.49435474 H 0.81573427 0.00000000 1.86586639 H 0.06885510 0.00000000 0.53914277 -- 0 1 O 0.06254775 0.00000000 -1.42263208 H -0.40696540 -0.76017841 -1.77174450 H -0.40696540 0.76017841 -1.77174450 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '3')] = qcdb.Molecule(""" 0 1 H 0.00000000 0.00000000 3.85521306 C 0.00000000 0.00000000 2.78649976 N 0.00000000 0.00000000 1.63150791 -- 0 1 H 0.00000000 0.00000000 -0.59377492 C 0.00000000 0.00000000 -1.66809824 N 0.00000000 0.00000000 -2.82525056 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '4')] = qcdb.Molecule(""" 0 1 H 0.00000000 0.80267982 1.69529329 F 0.00000000 -0.04596666 1.34034818 -- 0 1 H 0.00000000 -0.12040787 -0.49082840 F 0.00000000 0.00976945 -1.40424978 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '5')] = qcdb.Molecule(""" 0 1 N -0.04998129 -1.58709323 0.00000000 H 0.12296265 -2.16846018 0.81105976 H 0.12296265 -2.16846018 -0.81105976 H 0.65988580 -0.86235298 0.00000000 -- 0 1 N 0.04998129 1.58709323 0.00000000 H -0.12296265 2.16846018 0.81105976 H -0.65988580 0.86235298 0.00000000 H -0.12296265 2.16846018 -0.81105976 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '6')] = qcdb.Molecule(""" 0 1 C 0.00000000 -0.00000000 1.77071609 H 0.51593378 -0.89362352 1.42025061 H -0.00000000 0.00000000 2.85805859 H 0.51593378 0.89362352 1.42025061 H -1.03186756 0.00000000 1.42025061 -- 0 1 H -0.00000000 0.00000000 -0.54877328 F -0.00000000 0.00000000 -1.46803256 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '7')] = qcdb.Molecule(""" 0 1 N -0.00000000 0.00000000 1.84833659 H 0.93730979 -0.00000000 2.23206741 H -0.46865489 -0.81173409 2.23206741 H -0.46865489 0.81173409 2.23206741 -- 0 1 H 0.00000000 -0.00000000 -0.94497174 C 0.00000000 -0.00000000 -2.03363752 H 0.51251439 0.88770096 -2.40095125 H 0.51251439 -0.88770096 -2.40095125 H -1.02502878 0.00000000 -2.40095125 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '8')] = qcdb.Molecule(""" 0 1 C 0.00069016 0.00000000 -1.99985520 H -0.50741740 0.88759452 -2.37290605 H 1.03052749 0.00000000 -2.35282982 H -0.01314396 0.00000000 -0.91190852 H -0.50741740 -0.88759452 -2.37290605 -- 0 1 O -0.00472553 0.00000000 1.71597466 H 0.03211863 0.75755459 2.30172044 H 0.03211863 -0.75755459 2.30172044 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '9')] = qcdb.Molecule(""" 0 1 C 0.00000000 0.60123980 -1.35383976 O 0.00000000 -0.59301814 -1.55209021 H 0.93542250 1.17427624 -1.26515132 H -0.93542250 1.17427624 -1.26515132 -- 0 1 C 0.00000000 -0.60200476 1.55228866 O 0.00000000 0.59238638 1.35511328 H 0.00000000 -1.00937982 2.57524635 H 0.00000000 -1.32002906 0.71694997 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '10')] = qcdb.Molecule(""" 0 1 C 0.01058825 -0.66806246 1.29820809 C 0.01058825 0.66806246 1.29820809 H 0.86863216 1.23267933 0.95426815 H -0.84608285 1.23258495 1.64525385 H -0.84608285 -1.23258495 1.64525385 H 0.86863216 -1.23267933 0.95426815 -- 0 1 H -0.79685627 0.00000000 -2.50911038 O 0.04347445 0.00000000 -2.04834054 H -0.19067546 0.00000000 -1.11576944 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '11')] = qcdb.Molecule(""" 0 1 C 0.00000000 -0.59797089 1.47742864 C 0.00000000 0.42131196 2.33957848 H 0.92113351 -1.02957102 1.10653516 H -0.92113351 -1.02957102 1.10653516 H -0.92393815 0.85124826 2.70694633 H 0.92393815 0.85124826 2.70694633 -- 0 1 O 0.00000000 -0.51877334 -1.82845679 C 0.00000000 0.68616220 -1.73709412 H 0.00000000 1.33077474 -2.63186355 H 0.00000000 1.18902807 -0.75645498 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '12')] = qcdb.Molecule(""" 0 1 C 0.00000000 0.60356400 -2.18173438 H 0.00000000 1.66847581 -2.18429610 C 0.00000000 -0.60356400 -2.18173438 H 0.00000000 -1.66847581 -2.18429610 -- 0 1 C -0.00000000 0.00000000 1.57829513 H -0.00000000 0.00000000 0.51136193 C -0.00000000 0.00000000 2.78576543 H -0.00000000 0.00000000 3.85017859 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '13')] = qcdb.Molecule(""" 0 1 C 0.00000000 -0.59662248 1.58722206 C 0.00000000 0.68258238 1.20494642 H 0.92312147 1.22423658 1.04062463 H -0.92312147 1.22423658 1.04062463 H -0.92388993 -1.13738548 1.75121281 H 0.92388993 -1.13738548 1.75121281 -- 0 1 N 0.00000000 -0.00401379 -2.31096701 H -0.81122549 -0.45983060 -2.71043881 H 0.00000000 -0.22249432 -1.32128161 H 0.81122549 -0.45983060 -2.71043881 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '14')] = qcdb.Molecule(""" 0 1 H 0.92444510 -1.23172221 -1.90619313 H -0.92444510 -1.23172221 -1.90619313 H -0.92444510 1.23172221 -1.90619313 H 0.92444510 1.23172221 -1.90619313 C 0.00000000 0.66728778 -1.90556520 C 0.00000000 -0.66728778 -1.90556520 -- 0 1 H -0.00000000 1.23344948 2.82931792 H 0.00000000 1.22547148 0.97776199 H -0.00000000 -1.22547148 0.97776199 H -0.00000000 -1.23344948 2.82931792 C -0.00000000 -0.66711698 1.90601042 C -0.00000000 0.66711698 1.90601042 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '15')] = qcdb.Molecule(""" 0 1 C 0.00000000 0.64634385 -1.60849815 C 0.00000000 -0.67914355 -1.45381675 H -0.92399961 -1.24016223 -1.38784883 H 0.92399961 -1.24016223 -1.38784883 H 0.92403607 1.20737602 -1.67357285 H -0.92403607 1.20737602 -1.67357285 -- 0 1 H 0.00000000 0.08295411 1.59016711 C 0.00000000 0.02871509 2.67711785 H 0.88825459 0.52261990 3.06664029 H -0.88825459 0.52261990 3.06664029 H 0.00000000 -1.01394800 2.98955227 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '16')] = qcdb.Molecule(""" 0 1 C 0.00346000 0.00000000 1.38045208 H 0.84849635 0.00000000 0.68958651 H 0.39513333 0.00000000 2.39584935 H -0.60268447 -0.88994299 1.22482674 H -0.60268447 0.88994299 1.22482674 -- 0 1 B -0.00555317 0.00000000 -1.59887976 H 0.58455128 -1.03051800 -1.67949525 H 0.58455128 1.03051800 -1.67949525 H -1.18903148 0.00000000 -1.47677217 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '17')] = qcdb.Molecule(""" 0 1 C 0.00000000 -0.06374421 2.42054090 H 0.00000000 1.02169396 2.34238038 H 0.88828307 -0.46131911 1.93307194 H -0.88828307 -0.46131911 1.93307194 H 0.00000000 -0.35363606 3.46945195 -- 0 1 C 0.00000000 0.78133572 -1.13543912 H 0.00000000 1.37465349 -2.05114442 H -0.88043002 1.06310554 -0.55580918 C 0.00000000 -0.71332890 -1.44723686 H 0.88043002 1.06310554 -0.55580918 H 0.00000000 -1.30641812 -0.53140693 H -0.88100343 -0.99533072 -2.02587154 H 0.88100343 -0.99533072 -2.02587154 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '18')] = qcdb.Molecule(""" 0 1 C -0.00000000 0.00000000 -2.85810471 H 0.39304720 -0.94712229 -2.49369739 H 0.62370837 0.81395000 -2.49369739 H -1.01675556 0.13317229 -2.49369739 H 0.00000000 -0.00000000 -3.94634214 -- 0 1 C 0.00000000 -0.00000000 0.76143405 C -0.00000000 -0.00000000 2.28821715 H -0.61711193 -0.80824397 0.36571527 H -0.39140385 0.93855659 0.36571527 H 1.00851577 -0.13031262 0.36571527 H -1.00891703 0.13031295 2.68258296 H 0.39160418 -0.93890425 2.68258296 H 0.61731284 0.80859130 2.68258296 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '19')] = qcdb.Molecule(""" 0 1 C -0.00000000 0.00000000 1.81901457 H 0.51274115 0.88809373 1.45476743 H 0.51274115 -0.88809373 1.45476743 H -1.02548230 0.00000000 1.45476743 H 0.00000000 -0.00000000 2.90722072 -- 0 1 C 0.00000000 -0.00000000 -1.81901457 H -0.00000000 0.00000000 -2.90722072 H -0.51274115 0.88809373 -1.45476743 H -0.51274115 -0.88809373 -1.45476743 H 1.02548230 -0.00000000 -1.45476743 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '20')] = qcdb.Molecule(""" 0 1 C -0.00000000 0.00000000 -2.62458428 H 0.51286762 0.88831278 -2.26110195 H 0.51286762 -0.88831278 -2.26110195 H -0.00000000 0.00000000 -3.71273928 H -1.02573525 0.00000000 -2.26110195 -- 0 1 AR -0.00000000 0.00000000 1.05395172 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '21')] = qcdb.Molecule(""" 0 1 C 0.00000000 0.66718073 -2.29024825 C 0.00000000 -0.66718073 -2.29024825 H -0.92400768 1.23202333 -2.28975239 H 0.92400768 1.23202333 -2.28975239 H -0.92400768 -1.23202333 -2.28975239 H 0.92400768 -1.23202333 -2.28975239 -- 0 1 AR -0.00000000 0.00000000 1.60829261 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '22')] = qcdb.Molecule(""" 0 1 H -0.92396100 1.23195600 -1.68478123 H 0.92396100 1.23195600 -1.68478123 H 0.92396100 -1.23195600 -1.68478123 H -0.92396100 -1.23195600 -1.68478123 C 0.00000000 0.66717600 -1.68478123 C 0.00000000 -0.66717600 -1.68478123 -- 0 1 H -0.00000000 -1.66786500 1.81521877 H -0.00000000 1.66786500 1.81521877 C -0.00000000 -0.60339700 1.81521877 C -0.00000000 0.60339700 1.81521877 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '23')] = qcdb.Molecule(""" 0 1 H -0.92396100 1.23195600 -1.75000000 H 0.92396100 1.23195600 -1.75000000 H 0.92396100 -1.23195600 -1.75000000 H -0.92396100 -1.23195600 -1.75000000 C 0.00000000 0.66717600 -1.75000000 C -0.00000000 -0.66717600 -1.75000000 -- 0 1 H -0.92396100 1.23195600 1.75000000 H 0.92396100 1.23195600 1.75000000 H 0.92396100 -1.23195600 1.75000000 H -0.92396100 -1.23195600 1.75000000 C 0.00000000 0.66717600 1.75000000 C -0.00000000 -0.66717600 1.75000000 units angstrom """) GEOS['%s-%s-dimer' % (dbse, '24')] = qcdb.Molecule(""" 0 1 H -0.00000000 -1.66786500 -1.75000000 H 0.00000000 1.66786500 -1.75000000 C -0.00000000 -0.60339700 -1.75000000 C 0.00000000 0.60339700 -1.75000000 -- 0 1 H -0.00000000 -1.66786500 1.75000000 H 0.00000000 1.66786500 1.75000000 C -0.00000000 -0.60339700 1.75000000 C 0.00000000 0.60339700 1.75000000 units angstrom """) # <<< Derived Geometry Strings >>> for rxn in HRXN: GEOS['%s-%s-monoA-unCP' % (dbse, rxn)] = GEOS['%s-%s-dimer' % (dbse, rxn)].extract_fragments(1) GEOS['%s-%s-monoB-unCP' % (dbse, rxn)] = GEOS['%s-%s-dimer' % (dbse, rxn)].extract_fragments(2) GEOS['%s-%s-monoA-CP' % (dbse, rxn)] = GEOS['%s-%s-dimer' % (dbse, rxn)].extract_fragments(1, 2) GEOS['%s-%s-monoB-CP' % (dbse, rxn)] = GEOS['%s-%s-dimer' % (dbse, rxn)].extract_fragments(2, 1)
kannon92/psi4
psi4/share/psi4/databases/A24.py
Python
gpl-2.0
29,724
[ "Psi4" ]
759901dea91fc61c67a8e6da7d15c5a3cd6efe078b2fd1189b455b37ffc31d27
__author__ = 'crystal' import sys from PyQt5.QtWidgets import QApplication, QDialog from checkSumGui import Ui_Form app = QApplication(sys.argv) window = QDialog() ui = Ui_Form() ui.setupUi(window) window.show() sys.exit(app.exec_())
karcio/checkSumValidatorGUI
checkSumVal/src/checkSum.py
Python
gpl-3.0
238
[ "CRYSTAL" ]
f1cb50c396c6a3175ee819b6428fbf76b625d9c637c97a8b70526e9fb1641130
from numpy.testing import assert_equal, assert_array_equal, assert_allclose from nose.tools import assert_true, assert_raises, assert_not_equal from copy import deepcopy import os.path as op import numpy as np from scipy import sparse import os import warnings from mne import read_evokeds from mne.datasets import testing from mne.externals.six.moves import StringIO from mne.io import show_fiff, read_raw_fif from mne.epochs import _segment_raw from mne.time_frequency import tfr_morlet from mne.utils import (set_log_level, set_log_file, _TempDir, get_config, set_config, deprecated, _fetch_file, sum_squared, estimate_rank, _url_to_local_path, sizeof_fmt, _check_subject, _check_type_picks, object_hash, object_diff, requires_good_network, run_tests_if_main, md5sum, ArgvSetter, _memory_usage, check_random_state, _check_mayavi_version, requires_mayavi, set_memmap_min_size, _get_stim_channel, _check_fname, create_slices, _time_mask, random_permutation, _get_call_line, compute_corr, sys_info, verbose, check_fname, requires_ftp, get_config_path, object_size, buggy_mkl_svd, _get_inst_data, copy_doc, copy_function_doc_to_method_doc) warnings.simplefilter('always') # enable b/c these tests throw warnings base_dir = op.join(op.dirname(__file__), '..', 'io', 'tests', 'data') fname_evoked = op.join(base_dir, 'test-ave.fif') fname_raw = op.join(base_dir, 'test_raw.fif') fname_log = op.join(base_dir, 'test-ave.log') fname_log_2 = op.join(base_dir, 'test-ave-2.log') data_path = testing.data_path(download=False) fname_fsaverage_trans = op.join(data_path, 'subjects', 'fsaverage', 'bem', 'fsaverage-trans.fif') def clean_lines(lines=[]): # Function to scrub filenames for checking logging output (in test_logging) return [l if 'Reading ' not in l else 'Reading test file' for l in lines] def test_buggy_mkl(): """Test decorator for buggy MKL issues""" from nose.plugins.skip import SkipTest @buggy_mkl_svd def foo(a, b): raise np.linalg.LinAlgError('SVD did not converge') with warnings.catch_warnings(record=True) as w: assert_raises(SkipTest, foo, 1, 2) assert_true(all('convergence error' in str(ww.message) for ww in w)) @buggy_mkl_svd def bar(c, d, e): raise RuntimeError('SVD did not converge') assert_raises(RuntimeError, bar, 1, 2, 3) def test_sys_info(): """Test info-showing utility """ out = StringIO() sys_info(fid=out) out = out.getvalue() assert_true('numpy:' in out) def test_get_call_line(): """Test getting a call line """ @verbose def foo(verbose=None): return _get_call_line(in_verbose=True) for v in (None, True): my_line = foo(verbose=v) # testing assert_equal(my_line, 'my_line = foo(verbose=v) # testing') def bar(): return _get_call_line(in_verbose=False) my_line = bar() # testing more assert_equal(my_line, 'my_line = bar() # testing more') def test_object_size(): """Test object size estimation""" assert_true(object_size(np.ones(10, np.float32)) < object_size(np.ones(10, np.float64))) for lower, upper, obj in ((0, 60, ''), (0, 30, 1), (0, 30, 1.), (0, 60, 'foo'), (0, 150, np.ones(0)), (0, 150, np.int32(1)), (150, 500, np.ones(20)), (100, 400, dict()), (400, 1000, dict(a=np.ones(50))), (200, 900, sparse.eye(20, format='csc')), (200, 900, sparse.eye(20, format='csr'))): size = object_size(obj) assert_true(lower < size < upper, msg='%s < %s < %s:\n%s' % (lower, size, upper, obj)) def test_get_inst_data(): """Test _get_inst_data""" raw = read_raw_fif(fname_raw, add_eeg_ref=False) raw.crop(tmax=1.) assert_equal(_get_inst_data(raw), raw._data) raw.pick_channels(raw.ch_names[:2]) epochs = _segment_raw(raw, 0.5) assert_equal(_get_inst_data(epochs), epochs._data) evoked = epochs.average() assert_equal(_get_inst_data(evoked), evoked.data) evoked.crop(tmax=0.1) picks = list(range(2)) freqs = np.array([50., 55.]) n_cycles = 3 tfr = tfr_morlet(evoked, freqs, n_cycles, return_itc=False, picks=picks) assert_equal(_get_inst_data(tfr), tfr.data) assert_raises(TypeError, _get_inst_data, 'foo') def test_misc(): """Test misc utilities""" assert_equal(_memory_usage(-1)[0], -1) assert_equal(_memory_usage((clean_lines, [], {}))[0], -1) assert_equal(_memory_usage(clean_lines)[0], -1) assert_raises(ValueError, check_random_state, 'foo') assert_raises(ValueError, set_memmap_min_size, 1) assert_raises(ValueError, set_memmap_min_size, 'foo') assert_raises(TypeError, get_config, 1) assert_raises(TypeError, set_config, 1) assert_raises(TypeError, set_config, 'foo', 1) assert_raises(TypeError, _get_stim_channel, 1, None) assert_raises(TypeError, _get_stim_channel, [1], None) assert_raises(TypeError, _check_fname, 1) assert_raises(IOError, check_fname, 'foo', 'tets-dip.x', (), ('.fif',)) assert_raises(ValueError, _check_subject, None, None) assert_raises(ValueError, _check_subject, None, 1) assert_raises(ValueError, _check_subject, 1, None) @requires_mayavi def test_check_mayavi(): """Test mayavi version check""" assert_raises(RuntimeError, _check_mayavi_version, '100.0.0') def test_run_tests_if_main(): """Test run_tests_if_main functionality""" x = [] def test_a(): x.append(True) @np.testing.dec.skipif(True) def test_b(): return try: __name__ = '__main__' run_tests_if_main(measure_mem=False) # dual meas causes problems def test_c(): raise RuntimeError try: __name__ = '__main__' run_tests_if_main(measure_mem=False) # dual meas causes problems except RuntimeError: pass else: raise RuntimeError('Error not raised') finally: del __name__ assert_true(len(x) == 2) assert_true(x[0] and x[1]) def test_hash(): """Test dictionary hashing and comparison functions""" # does hashing all of these types work: # {dict, list, tuple, ndarray, str, float, int, None} d0 = dict(a=dict(a=0.1, b='fo', c=1), b=[1, 'b'], c=(), d=np.ones(3), e=None) d0[1] = None d0[2.] = b'123' d1 = deepcopy(d0) assert_true(len(object_diff(d0, d1)) == 0) assert_true(len(object_diff(d1, d0)) == 0) assert_equal(object_hash(d0), object_hash(d1)) # change values slightly d1['data'] = np.ones(3, int) d1['d'][0] = 0 assert_not_equal(object_hash(d0), object_hash(d1)) d1 = deepcopy(d0) assert_equal(object_hash(d0), object_hash(d1)) d1['a']['a'] = 0.11 assert_true(len(object_diff(d0, d1)) > 0) assert_true(len(object_diff(d1, d0)) > 0) assert_not_equal(object_hash(d0), object_hash(d1)) d1 = deepcopy(d0) assert_equal(object_hash(d0), object_hash(d1)) d1['a']['d'] = 0 # non-existent key assert_true(len(object_diff(d0, d1)) > 0) assert_true(len(object_diff(d1, d0)) > 0) assert_not_equal(object_hash(d0), object_hash(d1)) d1 = deepcopy(d0) assert_equal(object_hash(d0), object_hash(d1)) d1['b'].append(0) # different-length lists assert_true(len(object_diff(d0, d1)) > 0) assert_true(len(object_diff(d1, d0)) > 0) assert_not_equal(object_hash(d0), object_hash(d1)) d1 = deepcopy(d0) assert_equal(object_hash(d0), object_hash(d1)) d1['e'] = 'foo' # non-None assert_true(len(object_diff(d0, d1)) > 0) assert_true(len(object_diff(d1, d0)) > 0) assert_not_equal(object_hash(d0), object_hash(d1)) d1 = deepcopy(d0) d2 = deepcopy(d0) d1['e'] = StringIO() d2['e'] = StringIO() d2['e'].write('foo') assert_true(len(object_diff(d0, d1)) > 0) assert_true(len(object_diff(d1, d0)) > 0) d1 = deepcopy(d0) d1[1] = 2 assert_true(len(object_diff(d0, d1)) > 0) assert_true(len(object_diff(d1, d0)) > 0) assert_not_equal(object_hash(d0), object_hash(d1)) # generators (and other types) not supported d1 = deepcopy(d0) d2 = deepcopy(d0) d1[1] = (x for x in d0) d2[1] = (x for x in d0) assert_raises(RuntimeError, object_diff, d1, d2) assert_raises(RuntimeError, object_hash, d1) x = sparse.eye(2, 2, format='csc') y = sparse.eye(2, 2, format='csr') assert_true('type mismatch' in object_diff(x, y)) y = sparse.eye(2, 2, format='csc') assert_equal(len(object_diff(x, y)), 0) y[1, 1] = 2 assert_true('elements' in object_diff(x, y)) y = sparse.eye(3, 3, format='csc') assert_true('shape' in object_diff(x, y)) y = 0 assert_true('type mismatch' in object_diff(x, y)) def test_md5sum(): """Test md5sum calculation """ tempdir = _TempDir() fname1 = op.join(tempdir, 'foo') fname2 = op.join(tempdir, 'bar') with open(fname1, 'wb') as fid: fid.write(b'abcd') with open(fname2, 'wb') as fid: fid.write(b'efgh') assert_equal(md5sum(fname1), md5sum(fname1, 1)) assert_equal(md5sum(fname2), md5sum(fname2, 1024)) assert_true(md5sum(fname1) != md5sum(fname2)) def test_tempdir(): """Test TempDir """ tempdir2 = _TempDir() assert_true(op.isdir(tempdir2)) x = str(tempdir2) del tempdir2 assert_true(not op.isdir(x)) def test_estimate_rank(): """Test rank estimation """ data = np.eye(10) assert_array_equal(estimate_rank(data, return_singular=True)[1], np.ones(10)) data[0, 0] = 0 assert_equal(estimate_rank(data), 9) assert_raises(ValueError, estimate_rank, data, 'foo') def test_logging(): """Test logging (to file) """ assert_raises(ValueError, set_log_level, 'foo') tempdir = _TempDir() test_name = op.join(tempdir, 'test.log') with open(fname_log, 'r') as old_log_file: old_lines = clean_lines(old_log_file.readlines()) with open(fname_log_2, 'r') as old_log_file_2: old_lines_2 = clean_lines(old_log_file_2.readlines()) if op.isfile(test_name): os.remove(test_name) # test it one way (printing default off) set_log_file(test_name) set_log_level('WARNING') # should NOT print evoked = read_evokeds(fname_evoked, condition=1) with open(test_name) as fid: assert_true(fid.readlines() == []) # should NOT print evoked = read_evokeds(fname_evoked, condition=1, verbose=False) with open(test_name) as fid: assert_true(fid.readlines() == []) # should NOT print evoked = read_evokeds(fname_evoked, condition=1, verbose='WARNING') with open(test_name) as fid: assert_true(fid.readlines() == []) # SHOULD print evoked = read_evokeds(fname_evoked, condition=1, verbose=True) with open(test_name, 'r') as new_log_file: new_lines = clean_lines(new_log_file.readlines()) assert_equal(new_lines, old_lines) set_log_file(None) # Need to do this to close the old file os.remove(test_name) # now go the other way (printing default on) set_log_file(test_name) set_log_level('INFO') # should NOT print evoked = read_evokeds(fname_evoked, condition=1, verbose='WARNING') with open(test_name) as fid: assert_true(fid.readlines() == []) # should NOT print evoked = read_evokeds(fname_evoked, condition=1, verbose=False) with open(test_name) as fid: assert_true(fid.readlines() == []) # SHOULD print evoked = read_evokeds(fname_evoked, condition=1) with open(test_name, 'r') as new_log_file: new_lines = clean_lines(new_log_file.readlines()) assert_equal(new_lines, old_lines) # check to make sure appending works (and as default, raises a warning) with warnings.catch_warnings(record=True) as w: warnings.simplefilter('always') set_log_file(test_name, overwrite=False) assert_equal(len(w), 0) set_log_file(test_name) assert_equal(len(w), 1) assert_true('test_utils.py' in w[0].filename) evoked = read_evokeds(fname_evoked, condition=1) with open(test_name, 'r') as new_log_file: new_lines = clean_lines(new_log_file.readlines()) assert_equal(new_lines, old_lines_2) # make sure overwriting works set_log_file(test_name, overwrite=True) # this line needs to be called to actually do some logging evoked = read_evokeds(fname_evoked, condition=1) del evoked with open(test_name, 'r') as new_log_file: new_lines = clean_lines(new_log_file.readlines()) assert_equal(new_lines, old_lines) def test_config(): """Test mne-python config file support""" tempdir = _TempDir() key = '_MNE_PYTHON_CONFIG_TESTING' value = '123456' old_val = os.getenv(key, None) os.environ[key] = value assert_true(get_config(key) == value) del os.environ[key] # catch the warning about it being a non-standard config key assert_true(len(set_config(None, None)) > 10) # tuple of valid keys with warnings.catch_warnings(record=True) as w: warnings.simplefilter('always') set_config(key, None, home_dir=tempdir, set_env=False) assert_true(len(w) == 1) assert_true(get_config(key, home_dir=tempdir) is None) assert_raises(KeyError, get_config, key, raise_error=True) with warnings.catch_warnings(record=True): warnings.simplefilter('always') assert_true(key not in os.environ) set_config(key, value, home_dir=tempdir, set_env=True) assert_true(key in os.environ) assert_true(get_config(key, home_dir=tempdir) == value) set_config(key, None, home_dir=tempdir, set_env=True) assert_true(key not in os.environ) set_config(key, None, home_dir=tempdir, set_env=True) assert_true(key not in os.environ) if old_val is not None: os.environ[key] = old_val # Check if get_config with no input returns all config key = 'MNE_PYTHON_TESTING_KEY' config = {key: value} with warnings.catch_warnings(record=True): # non-standard key warnings.simplefilter('always') set_config(key, value, home_dir=tempdir) assert_equal(get_config(home_dir=tempdir), config) # Check what happens when we use a corrupted file json_fname = get_config_path(home_dir=tempdir) with open(json_fname, 'w') as fid: fid.write('foo{}') with warnings.catch_warnings(record=True) as w: assert_equal(get_config(home_dir=tempdir), dict()) assert_true(any('not a valid JSON' in str(ww.message) for ww in w)) with warnings.catch_warnings(record=True) as w: # non-standard key assert_raises(RuntimeError, set_config, key, 'true', home_dir=tempdir) @testing.requires_testing_data def test_show_fiff(): """Test show_fiff """ # this is not exhaustive, but hopefully bugs will be found in use info = show_fiff(fname_evoked) keys = ['FIFF_EPOCH', 'FIFFB_HPI_COIL', 'FIFFB_PROJ_ITEM', 'FIFFB_PROCESSED_DATA', 'FIFFB_EVOKED', 'FIFF_NAVE', 'FIFF_EPOCH'] assert_true(all(key in info for key in keys)) info = show_fiff(fname_raw, read_limit=1024) assert_true('COORD_TRANS' in show_fiff(fname_fsaverage_trans)) @deprecated('message') def deprecated_func(): pass @deprecated('message') class deprecated_class(object): def __init__(self): pass def test_deprecated(): """Test deprecated function """ with warnings.catch_warnings(record=True) as w: warnings.simplefilter('always') deprecated_func() assert_true(len(w) == 1) with warnings.catch_warnings(record=True) as w: warnings.simplefilter('always') deprecated_class() assert_true(len(w) == 1) def _test_fetch(url): """Helper to test URL retrieval""" tempdir = _TempDir() with ArgvSetter(disable_stderr=False): # to capture stdout archive_name = op.join(tempdir, "download_test") _fetch_file(url, archive_name, timeout=30., verbose=False, resume=False) assert_raises(Exception, _fetch_file, 'NOT_AN_ADDRESS', op.join(tempdir, 'test'), verbose=False) resume_name = op.join(tempdir, "download_resume") # touch file with open(resume_name + '.part', 'w'): os.utime(resume_name + '.part', None) _fetch_file(url, resume_name, resume=True, timeout=30., verbose=False) assert_raises(ValueError, _fetch_file, url, archive_name, hash_='a', verbose=False) assert_raises(RuntimeError, _fetch_file, url, archive_name, hash_='a' * 32, verbose=False) @requires_good_network def test_fetch_file_html(): """Test file downloading over http""" _test_fetch('http://google.com') @requires_ftp @requires_good_network def test_fetch_file_ftp(): """Test file downloading over ftp""" _test_fetch('ftp://speedtest.tele2.net/1KB.zip') def test_sum_squared(): """Test optimized sum of squares """ X = np.random.RandomState(0).randint(0, 50, (3, 3)) assert_equal(np.sum(X ** 2), sum_squared(X)) def test_sizeof_fmt(): """Test sizeof_fmt """ assert_equal(sizeof_fmt(0), '0 bytes') assert_equal(sizeof_fmt(1), '1 byte') assert_equal(sizeof_fmt(1000), '1000 bytes') def test_url_to_local_path(): """Test URL to local path """ assert_equal(_url_to_local_path('http://google.com/home/why.html', '.'), op.join('.', 'home', 'why.html')) def test_check_type_picks(): """Test checking type integrity checks of picks """ picks = np.arange(12) assert_array_equal(picks, _check_type_picks(picks)) picks = list(range(12)) assert_array_equal(np.array(picks), _check_type_picks(picks)) picks = None assert_array_equal(None, _check_type_picks(picks)) picks = ['a', 'b'] assert_raises(ValueError, _check_type_picks, picks) picks = 'b' assert_raises(ValueError, _check_type_picks, picks) def test_compute_corr(): """Test Anscombe's Quartett """ x = np.array([10, 8, 13, 9, 11, 14, 6, 4, 12, 7, 5]) y = np.array([[8.04, 6.95, 7.58, 8.81, 8.33, 9.96, 7.24, 4.26, 10.84, 4.82, 5.68], [9.14, 8.14, 8.74, 8.77, 9.26, 8.10, 6.13, 3.10, 9.13, 7.26, 4.74], [7.46, 6.77, 12.74, 7.11, 7.81, 8.84, 6.08, 5.39, 8.15, 6.42, 5.73], [8, 8, 8, 8, 8, 8, 8, 19, 8, 8, 8], [6.58, 5.76, 7.71, 8.84, 8.47, 7.04, 5.25, 12.50, 5.56, 7.91, 6.89]]) r = compute_corr(x, y.T) r2 = np.array([np.corrcoef(x, y[i])[0, 1] for i in range(len(y))]) assert_allclose(r, r2) assert_raises(ValueError, compute_corr, [1, 2], []) def test_create_slices(): """Test checking the create of time create_slices """ # Test that create_slices default provide an empty list assert_true(create_slices(0, 0) == []) # Test that create_slice return correct number of slices assert_true(len(create_slices(0, 100)) == 100) # Test with non-zero start parameters assert_true(len(create_slices(50, 100)) == 50) # Test slices' length with non-zero start and window_width=2 assert_true(len(create_slices(0, 100, length=2)) == 50) # Test slices' length with manual slice separation assert_true(len(create_slices(0, 100, step=10)) == 10) # Test slices' within length for non-consecutive samples assert_true(len(create_slices(0, 500, length=50, step=10)) == 46) # Test that slices elements start, stop and step correctly slices = create_slices(0, 10) assert_true(slices[0].start == 0) assert_true(slices[0].step == 1) assert_true(slices[0].stop == 1) assert_true(slices[-1].stop == 10) # Same with larger window width slices = create_slices(0, 9, length=3) assert_true(slices[0].start == 0) assert_true(slices[0].step == 1) assert_true(slices[0].stop == 3) assert_true(slices[-1].stop == 9) # Same with manual slices' separation slices = create_slices(0, 9, length=3, step=1) assert_true(len(slices) == 7) assert_true(slices[0].step == 1) assert_true(slices[0].stop == 3) assert_true(slices[-1].start == 6) assert_true(slices[-1].stop == 9) def test_time_mask(): """Test safe time masking """ N = 10 x = np.arange(N).astype(float) assert_equal(_time_mask(x, 0, N - 1).sum(), N) assert_equal(_time_mask(x - 1e-10, 0, N - 1, sfreq=1000.).sum(), N) assert_equal(_time_mask(x - 1e-10, None, N - 1, sfreq=1000.).sum(), N) assert_equal(_time_mask(x - 1e-10, None, None, sfreq=1000.).sum(), N) assert_equal(_time_mask(x - 1e-10, -np.inf, None, sfreq=1000.).sum(), N) assert_equal(_time_mask(x - 1e-10, None, np.inf, sfreq=1000.).sum(), N) # non-uniformly spaced inputs x = np.array([4, 10]) assert_equal(_time_mask(x[:1], tmin=10, sfreq=1, raise_error=False).sum(), 0) assert_equal(_time_mask(x[:1], tmin=11, tmax=12, sfreq=1, raise_error=False).sum(), 0) assert_equal(_time_mask(x, tmin=10, sfreq=1).sum(), 1) assert_equal(_time_mask(x, tmin=6, sfreq=1).sum(), 1) assert_equal(_time_mask(x, tmin=5, sfreq=1).sum(), 1) assert_equal(_time_mask(x, tmin=4.5001, sfreq=1).sum(), 1) assert_equal(_time_mask(x, tmin=4.4999, sfreq=1).sum(), 2) assert_equal(_time_mask(x, tmin=4, sfreq=1).sum(), 2) # degenerate cases assert_raises(ValueError, _time_mask, x[:1], tmin=11, tmax=12) assert_raises(ValueError, _time_mask, x[:1], tmin=10, sfreq=1) def test_random_permutation(): """Test random permutation function """ n_samples = 10 random_state = 42 python_randperm = random_permutation(n_samples, random_state) # matlab output when we execute rng(42), randperm(10) matlab_randperm = np.array([7, 6, 5, 1, 4, 9, 10, 3, 8, 2]) assert_array_equal(python_randperm, matlab_randperm - 1) def test_copy_doc(): '''Test decorator for copying docstrings''' class A: def m1(): """Docstring for m1""" pass class B: def m1(): pass class C (A): @copy_doc(A.m1) def m1(): pass assert_equal(C.m1.__doc__, 'Docstring for m1') assert_raises(ValueError, copy_doc(B.m1), C.m1) def test_copy_function_doc_to_method_doc(): '''Test decorator for re-using function docstring as method docstrings''' def f1(object, a, b, c): """Docstring for f1 Parameters ---------- object : object Some object. This description also has blank lines in it. a : int Parameter a b : int Parameter b """ pass def f2(object): """Docstring for f2 Parameters ---------- object : object Only one parameter Returns ------- nothing. """ pass def f3(object): """Docstring for f3 Parameters ---------- object : object Only one parameter """ pass def f4(object): """Docstring for f4""" pass def f5(object): """Docstring for f5 Parameters ---------- Returns ------- nothing. """ pass class A: @copy_function_doc_to_method_doc(f1) def method_f1(self, a, b, c): pass @copy_function_doc_to_method_doc(f2) def method_f2(self): "method_f3 own docstring" pass @copy_function_doc_to_method_doc(f3) def method_f3(self): pass assert_equal( A.method_f1.__doc__, """Docstring for f1 Parameters ---------- a : int Parameter a b : int Parameter b """ ) assert_equal( A.method_f2.__doc__, """Docstring for f2 Returns ------- nothing. method_f3 own docstring""" ) assert_equal(A.method_f3.__doc__, 'Docstring for f3\n\n ') assert_raises(ValueError, copy_function_doc_to_method_doc(f4), A.method_f1) assert_raises(ValueError, copy_function_doc_to_method_doc(f5), A.method_f1) run_tests_if_main()
jniediek/mne-python
mne/tests/test_utils.py
Python
bsd-3-clause
25,120
[ "Mayavi" ]
6d9a612a6ff395ee6699f793297d998bf29e39d6dfb4e285fae20e2bbbdace22
import os import re import socket import sys import time from optparse import make_option from django.conf import settings from django.core.management.base import BaseCommand, CommandError from django_extensions.management.utils import setup_logger, RedirectHandler from django_extensions.management.technical_response import null_technical_500_response try: if 'django.contrib.staticfiles' in settings.INSTALLED_APPS: from django.contrib.staticfiles.handlers import StaticFilesHandler USE_STATICFILES = True elif 'staticfiles' in settings.INSTALLED_APPS: from staticfiles.handlers import StaticFilesHandler # noqa USE_STATICFILES = True else: USE_STATICFILES = False except ImportError: USE_STATICFILES = False naiveip_re = re.compile(r"""^(?: (?P<addr> (?P<ipv4>\d{1,3}(?:\.\d{1,3}){3}) | # IPv4 address (?P<ipv6>\[[a-fA-F0-9:]+\]) | # IPv6 address (?P<fqdn>[a-zA-Z0-9-]+(?:\.[a-zA-Z0-9-]+)*) # FQDN ):)?(?P<port>\d+)$""", re.X) DEFAULT_PORT = "8000" import logging logger = logging.getLogger(__name__) class Command(BaseCommand): option_list = BaseCommand.option_list + ( make_option('--ipv6', '-6', action='store_true', dest='use_ipv6', default=False, help='Tells Django to use a IPv6 address.'), make_option('--noreload', action='store_false', dest='use_reloader', default=True, help='Tells Django to NOT use the auto-reloader.'), make_option('--browser', action='store_true', dest='open_browser', help='Tells Django to open a browser.'), make_option('--adminmedia', dest='admin_media_path', default='', help='Specifies the directory from which to serve admin media.'), make_option('--threaded', action='store_true', dest='threaded', help='Run in multithreaded mode.'), make_option('--output', dest='output_file', default=None, help='Specifies an output file to send a copy of all messages (not flushed immediately).'), make_option('--print-sql', action='store_true', default=False, help="Print SQL queries as they're executed"), make_option('--cert', dest='cert_path', action="store", type="string", help='To use SSL, specify certificate path.'), ) if USE_STATICFILES: option_list += ( make_option('--nostatic', action="store_false", dest='use_static_handler', default=True, help='Tells Django to NOT automatically serve static files at STATIC_URL.'), make_option('--insecure', action="store_true", dest='insecure_serving', default=False, help='Allows serving static files even if DEBUG is False.'), ) help = "Starts a lightweight Web server for development." args = '[optional port number, or ipaddr:port]' # Validation is called explicitly each time the server is reloaded. requires_model_validation = False def handle(self, addrport='', *args, **options): import django setup_logger(logger, self.stderr, filename=options.get('output_file', None)) # , fmt="[%(name)s] %(message)s") logredirect = RedirectHandler(__name__) # Redirect werkzeug log items werklogger = logging.getLogger('werkzeug') werklogger.setLevel(logging.INFO) werklogger.addHandler(logredirect) werklogger.propagate = False if options.get("print_sql", False): from django.db.backends import util try: import sqlparse except ImportError: sqlparse = None # noqa class PrintQueryWrapper(util.CursorDebugWrapper): def execute(self, sql, params=()): starttime = time.time() try: return self.cursor.execute(sql, params) finally: raw_sql = self.db.ops.last_executed_query(self.cursor, sql, params) execution_time = time.time() - starttime therest = ' -- [Execution time: %.6fs] [Database: %s]' % (execution_time, self.db.alias) if sqlparse: logger.info(sqlparse.format(raw_sql, reindent=True) + therest) else: logger.info(raw_sql + therest) util.CursorDebugWrapper = PrintQueryWrapper try: from django.core.servers.basehttp import AdminMediaHandler USE_ADMINMEDIAHANDLER = True except ImportError: USE_ADMINMEDIAHANDLER = False try: from django.core.servers.basehttp import get_internal_wsgi_application as WSGIHandler except ImportError: from django.core.handlers.wsgi import WSGIHandler # noqa try: from werkzeug import run_simple, DebuggedApplication # Set colored output if settings.DEBUG: try: set_werkzeug_log_color() except: # We are dealing with some internals, anything could go wrong print("Wrapping internal werkzeug logger for color highlighting has failed!") pass except ImportError: raise CommandError("Werkzeug is required to use runserver_plus. Please visit http://werkzeug.pocoo.org/ or install via pip. (pip install Werkzeug)") # usurp django's handler from django.views import debug debug.technical_500_response = null_technical_500_response self.use_ipv6 = options.get('use_ipv6') if self.use_ipv6 and not socket.has_ipv6: raise CommandError('Your Python does not support IPv6.') self._raw_ipv6 = False if not addrport: try: addrport = settings.RUNSERVERPLUS_SERVER_ADDRESS_PORT except AttributeError: pass if not addrport: self.addr = '' self.port = DEFAULT_PORT else: m = re.match(naiveip_re, addrport) if m is None: raise CommandError('"%s" is not a valid port number ' 'or address:port pair.' % addrport) self.addr, _ipv4, _ipv6, _fqdn, self.port = m.groups() if not self.port.isdigit(): raise CommandError("%r is not a valid port number." % self.port) if self.addr: if _ipv6: self.addr = self.addr[1:-1] self.use_ipv6 = True self._raw_ipv6 = True elif self.use_ipv6 and not _fqdn: raise CommandError('"%s" is not a valid IPv6 address.' % self.addr) if not self.addr: self.addr = '::1' if self.use_ipv6 else '127.0.0.1' threaded = options.get('threaded', False) use_reloader = options.get('use_reloader', True) open_browser = options.get('open_browser', False) cert_path = options.get("cert_path") quit_command = (sys.platform == 'win32') and 'CTRL-BREAK' or 'CONTROL-C' bind_url = "http://%s:%s/" % ( self.addr if not self._raw_ipv6 else '[%s]' % self.addr, self.port) def inner_run(): print("Validating models...") self.validate(display_num_errors=True) print("\nDjango version %s, using settings %r" % (django.get_version(), settings.SETTINGS_MODULE)) print("Development server is running at %s" % (bind_url,)) print("Using the Werkzeug debugger (http://werkzeug.pocoo.org/)") print("Quit the server with %s." % quit_command) path = options.get('admin_media_path', '') if not path: admin_media_path = os.path.join(django.__path__[0], 'contrib/admin/static/admin') if os.path.isdir(admin_media_path): path = admin_media_path else: path = os.path.join(django.__path__[0], 'contrib/admin/media') handler = WSGIHandler() if USE_ADMINMEDIAHANDLER: handler = AdminMediaHandler(handler, path) if USE_STATICFILES: use_static_handler = options.get('use_static_handler', True) insecure_serving = options.get('insecure_serving', False) if use_static_handler and (settings.DEBUG or insecure_serving): handler = StaticFilesHandler(handler) if open_browser: import webbrowser webbrowser.open(bind_url) if cert_path: """ OpenSSL is needed for SSL support. This will make flakes8 throw warning since OpenSSL is not used directly, alas, this is the only way to show meaningful error messages. See: http://lucumr.pocoo.org/2011/9/21/python-import-blackbox/ for more information on python imports. """ try: import OpenSSL # NOQA except ImportError: raise CommandError("Python OpenSSL Library is " "required to use runserver_plus with ssl support. " "Install via pip (pip install pyOpenSSL).") dir_path, cert_file = os.path.split(cert_path) if not dir_path: dir_path = os.getcwd() root, ext = os.path.splitext(cert_file) certfile = os.path.join(dir_path, root + ".crt") keyfile = os.path.join(dir_path, root + ".key") try: from werkzeug.serving import make_ssl_devcert if os.path.exists(certfile) and \ os.path.exists(keyfile): ssl_context = (certfile, keyfile) else: # Create cert, key files ourselves. ssl_context = make_ssl_devcert( os.path.join(dir_path, root), host='localhost') except ImportError: print("Werkzeug version is less than 0.9, trying adhoc certificate.") ssl_context = "adhoc" else: ssl_context = None run_simple( self.addr, int(self.port), DebuggedApplication(handler, True), use_reloader=use_reloader, use_debugger=True, threaded=threaded, ssl_context=ssl_context ) inner_run() def set_werkzeug_log_color(): """Try to set color to the werkzeug log. """ from django.core.management.color import color_style from werkzeug.serving import WSGIRequestHandler from werkzeug._internal import _log _style = color_style() _orig_log = WSGIRequestHandler.log def werk_log(self, type, message, *args): try: msg = '%s - - [%s] %s' % ( self.address_string(), self.log_date_time_string(), message % args, ) http_code = str(args[1]) except: return _orig_log(type, message, *args) # Utilize terminal colors, if available if http_code[0] == '2': # Put 2XX first, since it should be the common case msg = _style.HTTP_SUCCESS(msg) elif http_code[0] == '1': msg = _style.HTTP_INFO(msg) elif http_code == '304': msg = _style.HTTP_NOT_MODIFIED(msg) elif http_code[0] == '3': msg = _style.HTTP_REDIRECT(msg) elif http_code == '404': msg = _style.HTTP_NOT_FOUND(msg) elif http_code[0] == '4': msg = _style.HTTP_BAD_REQUEST(msg) else: # Any 5XX, or any other response msg = _style.HTTP_SERVER_ERROR(msg) _log(type, msg) WSGIRequestHandler.log = werk_log
marcoantoniooliveira/labweb
oscar/lib/python2.7/site-packages/django_extensions/management/commands/runserver_plus.py
Python
bsd-3-clause
12,343
[ "VisIt" ]
62ba47939a99170e7c89f48adfd69413585dafcf4f6482e8b08392455eb6b43d
try: import moogli except ImportError as e: print( "[INFO ] Could not import moogli. Quitting..." ) quit() import moose from moose import neuroml from PyQt4 import Qt, QtCore, QtGui import sys import os import random import numpy as np app = QtGui.QApplication(sys.argv) filename = os.path.join( os.path.split(os.path.realpath(__file__))[0] , "../neuroml/PurkinjeCellPassivePulseInput/PurkinjePassive.net.xml" ) moose.neuroml.loadNeuroML_L123(filename) morphology = moogli.read_morphology_from_moose(name = "", path = "/cells[0]") morphology.create_group( "group-1" , [ "/cells[0]/BigCellCML_0[0]/Seg0_dend_1043_1044[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1033_1034[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1019_1020[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1018_1019[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1016_1017[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1539_1540[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1579_1580[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1573_1574[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1572_1573[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1569_1570[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1559_1560[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1045_1046[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1021_1022[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1020_1021[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1581_1582[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1580_1581[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1046_1047[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1022_1023[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1027_1028[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1023_1024[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1028_1029[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1025_1026[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1024_1025[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1026_1027[0]" ] , 10.0 , 200.0 , [1.0, 0.0, 0.0, 1.0] , [0.0, 1.0, 0.0, 1.0] ) morphology.create_group( "group-2" , [ "/cells[0]/BigCellCML_0[0]/Seg0_dend_1076_1077[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1072_1073[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1099_1100[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1096_1097[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1108_1109[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1135_1136[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_35_36[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_655_656[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_535_536[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_716_717[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_14_15[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_87_88[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_236_237[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_218_219[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_172_173[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_152_153[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_363_364[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_362_363[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_344_345[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_341_342[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_320_321[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_312_313[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_453_454[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_449_450[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_437_438[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_426_427[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_418_419[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_409_410[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_407_408[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_396_397[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_394_395[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_390_391[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_389_390[0]" , "/cells[0]/BigCellCML_0[0]/Seg0_dend_1079_1080[0]" ] , 0.0 , 1.0 , [0.0, 1.0, 0.0, 1.0] , [0.0, 0.0, 1.0, 1.0] ) def callback(morphology, viewer): morphology.set_color( "group-1" , np.random.random_sample((24,)) * (100.0 - 20.0) + 20.0 ) morphology.set_color( "group-2" , np.random.random_sample((34,)) ) viewer.roll(0.05, 0) viewer.pitch(0.05, 1) viewer.yaw(0.05, 2) return True viewer = moogli.DynamicMorphologyViewerWidget(morphology) viewer.showMaximized() viewer.split_horizontally(0) viewer.split_vertically(1) viewer.zoom(0.5, 0) viewer.zoom(0.5, 1) viewer.zoom(0.5, 2) viewer.set_callback(callback) app.exec_()
BhallaLab/moose
moose-examples/moogli/color_update.py
Python
gpl-3.0
6,159
[ "MOOSE" ]
e8e9d070529bb813c6b1340e71d5dcf129e99d58a48bee1c7ce76dd59723f389
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ Module containing class to create an ion """ __author__ = "Sai Jayaraman" __copyright__ = "Copyright 2012, The Materials Project" __version__ = "0.0" __maintainer__ = "Sai Jayaraman" __email__ = "sjayaram@mit.edu" __status__ = "Production" __date__ = "Dec 10, 2012" import re import numpy as np from pymatgen.core.composition import Composition from monty.json import MSONable from pymatgen.util.string import formula_double_format class Ion(Composition, MSONable): """ Basic ion object. It is just a Composition object with an additional variable to store charge. The net charge can either be represented as Mn++, or Mn+2, or Mn[2+]. Note the order of the sign and magnitude in each representation. """ def __init__(self, composition, charge=0.0, properties=None): """ Flexible Ion construction, similar to Composition. For more information, please see pymatgen.core.Composition """ super(Ion, self).__init__(composition) self._charge = charge @classmethod def from_formula(cls, formula): charge = 0.0 f = formula m = re.search(r"\[([^\[\]]+)\]", f) if m: m_chg = re.search(r"([\.\d]*)([+-])", m.group(1)) if m_chg: if m_chg.group(1) != "": charge += float(m_chg.group(1)) * \ (float(m_chg.group(2) + "1")) else: charge += float(m_chg.group(2) + "1") f = f.replace(m.group(), "", 1) m = re.search(r"\(aq\)", f) if m: f = f.replace(m.group(), "", 1) for m_chg in re.finditer(r"([+-])([\.\d]*)", f): sign = m_chg.group(1) sgn = float(str(sign + "1")) if m_chg.group(2).strip() != "": charge += float(m_chg.group(2)) * sgn else: charge += sgn f = f.replace(m_chg.group(), "", 1) composition = Composition(f) return cls(composition, charge) @property def formula(self): """ Returns a formula string, with elements sorted by electronegativity, e.g., Li4 Fe4 P4 O16. """ formula = super(Ion, self).formula chg_str = "" if self.charge > 0: chg_str = " +" + formula_double_format(self.charge, False) elif self._charge < 0: chg_str = " " + formula_double_format(self.charge, False) return formula + chg_str @property def anonymized_formula(self): """ An anonymized formula. Appends charge to the end of anonymized composition """ anon_formula = super(Ion, self).anonymized_formula chg = self._charge chg_str = "" if chg > 0: chg_str += ("{}{}".format('+', str(int(chg)))) elif chg < 0: chg_str += ("{}{}".format('-', str(int(np.abs(chg))))) return anon_formula + chg_str @property def reduced_formula(self): """ Returns a reduced formula string with appended charge. """ reduced_formula = super(Ion, self).reduced_formula charge = self._charge / self.get_reduced_composition_and_factor()[1] if charge > 0: if abs(charge) == 1: chg_str = "[+]" else: chg_str = "[" + formula_double_format(charge, False) + "+]" elif charge < 0: if abs(charge) == 1: chg_str = "[-]" else: chg_str = "[{}-]".format(formula_double_format(abs(charge), False)) else: chg_str = "(aq)" return reduced_formula + chg_str @property def alphabetical_formula(self): """ Returns a reduced formula string with appended charge """ alph_formula = super(Ion, self).alphabetical_formula chg_str = "" if self.charge > 0: chg_str = " +" + formula_double_format(self.charge, False) elif self.charge < 0: chg_str = " " + formula_double_format(self.charge, False) return alph_formula + chg_str @property def charge(self): """ Charge of the ion """ return self._charge def as_dict(self): """ Returns: dict with composition, as well as charge """ d = super(Ion, self).as_dict() d['charge'] = self.charge return d @classmethod def from_dict(cls, d): """ Generates an ion object from a dict created by as_dict(). Args: d: {symbol: amount} dict. """ charge = d.pop('charge') composition = Composition(d) return Ion(composition, charge) @property def to_reduced_dict(self): """ Returns: dict with element symbol and reduced amount e.g., {"Fe": 2.0, "O":3.0}. """ d = self.composition.to_reduced_dict d['charge'] = self.charge return d @property def composition(self): return Composition(self._data) def __eq__(self, other): if self.composition != other.composition: return False if self.charge != other.charge: return False return True def __add__(self, other): """ Addition of two ions. """ new_composition = self.composition + other.composition new_charge = self.charge + other.charge return Ion(new_composition, new_charge) def __sub__(self, other): """ Subtraction of two ions """ new_composition = self.composition - other.composition new_charge = self.charge - other.charge return Ion(new_composition, new_charge) def __mul__(self, other): """ Multiplication of an Ion with a factor """ new_composition = self.composition * other new_charge = self.charge * other return Ion(new_composition, new_charge) def __hash__(self): return hash((self.composition, self.charge)) def __str__(self): return self.formula def __repr__(self): return "Ion: " + self.formula
montoyjh/pymatgen
pymatgen/core/ion.py
Python
mit
6,452
[ "pymatgen" ]
357bb33ff01c2acf056b0574d567922a32d391738e2250c9f24f63b0d687e982
import pandas as pd import xarray as xr import os as os homedir = 'D:/UW_PhD/Python/xarray/' os.chdir(homedir) #open pnnl lat long el file pnnlxy = xr.open_dataset('data_LatLonGht.nc') #range of dates to create new files for start_date = '2006-11-01' end_date = '2006-11-20' dates = [x.strftime('%Y-%m-%d') for x in pd.date_range(start=start_date, end=end_date, freq='D')] #for each day (file) open pnnl netcdf file as xarray dataset, add coordinate data, save as new netcdf for ind, ymd in enumerate(dates): date = ymd pnnl = xr.open_dataset('data.' + date +'.nc') #merge pnnl lat long data with climate data pnnlnew = xr.merge([pnnl, pnnlxy], compat='no_conflicts') #convert variables LAT, LON and Z to coordinates pnnlnewc = pnnlnew.set_coords({'LAT','LON','Z'}, inplace=False) #create series of dates to add to dataset time = pd.date_range(start=date, periods=24, freq='H') #add coordinates using series of dates pnnlnewc.update({'time': ('time', time)}) #problem with xarray dataframe.to_netcdf method: does not work if attributes contain attribute titled "coordinates"; #for variables that have coordinates in attributes, remove "coordinate" from attributes pnnlnewc.Q2.attrs = ([('stagger', ''), ('units', 'kg kg-1'), ('description', 'QV at 2 M'), ('MemoryOrder', 'XY '), ('FieldType', 104)]) pnnlnewc.PSFC.attrs = ([('stagger', ''), ('units', 'Pa'), ('description', 'SFC PRESSURE'), ('MemoryOrder', 'XY '), ('FieldType', 104)]) pnnlnewc.GLW.attrs = ([('stagger', ''), ('units', 'W m-2'), ('description', 'DOWNWARD LONG WAVE FLUX AT GROUND SURFACE'), ('MemoryOrder', 'XY '), ('FieldType', 104)]) pnnlnewc.SWDOWN.attrs = ([('stagger', ''), ('units', 'W m-2'), ('description', 'DOWNWARD SHORT WAVE FLUX AT GROUND SURFACE'), ('MemoryOrder', 'XY '), ('FieldType', 104)]) pnnlnewc.PREC_ACC_NC.attrs = ([('stagger', ''), ('units', 'mm'), ('description', 'GRID SCALE PRECIPITATION'), ('MemoryOrder', 'XY '), ('FieldType', 104)]) pnnlnewc.SNOW_ACC_NC.attrs = ([('stagger', ''), ('units', 'mm'), ('description', 'SNOW WATER EQUIVALENT'), ('MemoryOrder', 'XY '), ('FieldType', 104)]) #save new netcdf file pnnlnewc.to_netcdf(date + '_coord.nc') print(str(ind) + ' : ' + date)
ChristinaB/Observatory
tutorials/CreatePNNLnetcdfFile_MultipleFiles.py
Python
mit
3,103
[ "NetCDF" ]
f78ec9df92bf14cdbed3497069b2977e977c5a49e166c1df46dc2ab9a66d16b5
from rdkit import DataStructs from rdkit import RDConfig from rdkit import Chem from rdkit.Chem import ChemicalFeatures,rdDistGeom from rdkit import Geometry import unittest,os def lstFeq(l1, l2, tol=1.e-4): if (len(list(l1)) != len(list(l2))): return 0 for i in range(len(list(l1))): if not feq(l1[i], l2[i], tol): return 0 return 1 def feq(v1,v2,tol2=1e-4): return abs(v1-v2)<=tol2 class TestCase(unittest.TestCase): def setUp(self): pass def testBasic(self): cfac = ChemicalFeatures.BuildFeatureFactory(os.path.join(RDConfig.RDBaseDir, 'Code','GraphMol','MolChemicalFeatures','test_data','featDef.txt')) self.failUnless(cfac.GetNumFeatureDefs() == 2) fNames = cfac.GetFeatureFamilies() self.failUnless(len(fNames) == 2) self.failUnless(fNames[0] == 'HBondDonor') self.failUnless(fNames[1] == 'HBondAcceptor') mol = Chem.MolFromSmiles("COCN") rdDistGeom.EmbedMolecule(mol, 30, 100) self.failUnless(cfac.GetNumMolFeatures(mol) == 3) for i in range(cfac.GetNumMolFeatures(mol)): self.failUnless(cfac.GetMolFeature(mol,i)) # check that the recompute argument works: self.failUnless(cfac.GetMolFeature(mol,0)) for i in range(cfac.GetNumMolFeatures(mol)): self.failUnless(cfac.GetMolFeature(mol,i,"",False)) self.failUnlessRaises(IndexError,lambda : cfac.GetMolFeature(mol,3)) feats = cfac.GetFeaturesForMol(mol) self.failUnless(len(feats) == 3) fTypes = ['HBondDonor', 'HBondAcceptor', 'HBondAcceptor'] positions = [[1.3215, -0.6284, 0.0967], [-0.7136, 0.6241, 0.1862], [1.3215, -0.6284, 0.0967]] targetAids = [[3], [1], [3]] i = 0 for feat in feats: self.failUnless(feat.GetFamily() == fTypes[i]) pos = list(feat.GetPos()) aids = list(feat.GetAtomIds()) self.failUnless(aids == targetAids[i]) self.failUnless(lstFeq(pos, positions[i])) nmol = feat.GetMol() self.failUnless(Chem.MolToSmiles(nmol) == "COCN") ncfac = feat.GetFactory() self.failUnless(ncfac.GetNumFeatureDefs() == 2) i += 1 def testIncludeOnly(self): cfac = ChemicalFeatures.BuildFeatureFactory(os.path.join(RDConfig.RDBaseDir, 'Code','GraphMol','MolChemicalFeatures','test_data','featDef.txt')) self.failUnless(cfac.GetNumFeatureDefs() == 2) mol = Chem.MolFromSmiles("COCN") rdDistGeom.EmbedMolecule(mol) self.failUnless(cfac.GetNumMolFeatures(mol,includeOnly="HBondAcceptor") == 2) self.failUnless(cfac.GetNumMolFeatures(mol,includeOnly="HBondDonor") == 1) self.failUnless(cfac.GetNumMolFeatures(mol,includeOnly="Bogus") == 0) self.failUnlessRaises(IndexError,lambda : cfac.GetMolFeature(mol,1,includeOnly="HBondDonor")) self.failUnlessRaises(IndexError,lambda : cfac.GetMolFeature(mol,2,includeOnly="HBondAcceptor")) f = cfac.GetMolFeature(mol,0,includeOnly="HBondDonor") self.failUnless(f.GetFamily()=='HBondDonor') feats = cfac.GetFeaturesForMol(mol,includeOnly="HBondAcceptor") self.failUnless(len(feats) == 2) feats = cfac.GetFeaturesForMol(mol,includeOnly="HBondDonor") self.failUnless(len(feats) == 1) feats = cfac.GetFeaturesForMol(mol,includeOnly="Bogus") self.failUnless(len(feats) == 0) def testStringParse(self): fdefBlock = \ """DefineFeature HDonor1 [N,O;!H0] Family HBondDonor Weights 1.0 EndFeature DefineFeature HAcceptor1 [N,O;H0] Family HBondAcceptor Weights 1.0 EndFeature """ cfac = ChemicalFeatures.BuildFeatureFactoryFromString(fdefBlock) self.failUnless(cfac.GetNumFeatureDefs() == 2) def testStringParse2(self): fdefBlock = \ """DefineFeature HDonor1 [N,O;!H0]\r Family HBondDonor\r Weights 1.0\r EndFeature\r DefineFeature HAcceptor1 [N,O;H0]\r Family HBondAcceptor\r Weights 1.0\r EndFeature\r """ cfac = ChemicalFeatures.BuildFeatureFactoryFromString(fdefBlock) self.failUnless(cfac.GetNumFeatureDefs() == 2) def testParseErrorHandling(self): fdefBlock = \ """DefineFeature HDonor1 [N,O;!HQ] Family HBondDonor Weights 1.0 EndFeature """ self.failUnlessRaises(ValueError, lambda:ChemicalFeatures.BuildFeatureFactoryFromString(fdefBlock)) fdefBlock = \ """DefineFeature HDonor1 [N,O;!H0] Family HBondDonor Weights 1.0 """ self.failUnlessRaises(ValueError, lambda:ChemicalFeatures.BuildFeatureFactoryFromString(fdefBlock)) self.failUnlessRaises(IOError, lambda:ChemicalFeatures.BuildFeatureFactory('noSuchFile.txt')) def testAtomMatch(self): fdefBlock = \ """ DefineFeature HAcceptor1 [#7,#8] Family HBondAcceptor Weights 1.0 EndFeature DefineFeature Arom1 a1aaaaa1 Family Aromatic Weights 1.0,1.0,1.0,1.0,1.0,1.0 EndFeature """ cfac = ChemicalFeatures.BuildFeatureFactoryFromString(fdefBlock) self.failUnless(cfac.GetNumFeatureDefs() == 2) mol = Chem.MolFromSmiles('n1ccccc1') feats = cfac.GetFeaturesForMol(mol) self.failUnless(len(feats)==2) m = ChemicalFeatures.GetAtomMatch(feats) self.failIf(m) mol = Chem.MolFromSmiles('c1ccccc1N') feats = cfac.GetFeaturesForMol(mol) self.failUnless(len(feats)==2) m = ChemicalFeatures.GetAtomMatch(feats) self.failUnless(len(m)==2) def testIssue231(self): fdefs = """ DefineFeature HDonor1 [N,O;!H0] Family HBondDonor Weights 1.0 EndFeature DefineFeature HAcceptor1 [N,O;H0] Family HBondAcceptor Weights 1.0 EndFeature """ cfac = ChemicalFeatures.BuildFeatureFactoryFromString(fdefs) m = Chem.MolFromSmiles('O=CCCN') rdDistGeom.EmbedMolecule(m) feats = cfac.GetFeaturesForMol(m) for feat in feats: feat.GetPos() m = None for feat in feats: feat.GetPos() if __name__ == '__main__': unittest.main()
rdkit/rdkit-orig
Code/GraphMol/MolChemicalFeatures/Wrap/testChemicalFeatures.py
Python
bsd-3-clause
5,970
[ "RDKit" ]
95e6bf863344f5b1cf9ef365fcbaf4151b7dbfef9c1400df2d0bb6313ec4570c
# -*- coding: utf-8 -*- u"""Traits-based GUI for head-MRI coregistration. Hierarchy --------- This is the hierarchy of classes for control. Brackets like [1] denote properties that are set to be equivalent. :: CoregFrame: GUI for head-MRI coregistration. |-- CoregModel (model): Traits object for estimating the head mri transform. | |-- MRIHeadWithFiducialsModel (mri) [1]: Represent an MRI head shape (high and low res) with fiducials. | | |-- SurfaceSource (bem_high_res): High-res MRI head | | |-- SurfaceSource (bem_low_res): Low-res MRI head | | +-- MRISubjectSource (subject_source) [2]: Find subjects in SUBJECTS_DIR and select one. | |-- FiducialsSource (fid): Expose points of a given fiducials fif file. | +-- DigSource (hsp): Expose measurement information from a inst file. |-- MlabSceneModel (scene) [3]: mayavi.core.ui.mayavi_scene |-- DataPanel (data_panel) | |-- HeadViewController (headview) [4]: Set head views for the given coordinate system. | | +-- MlabSceneModel (scene) [3*]: ``HeadViewController(scene=CoregFrame.scene)`` | |-- SubjectSelectorPanel (subject_panel): Subject selector panel | | +-- MRISubjectSource (model) [2*]: ``SubjectSelectorPanel(model=self.model.mri.subject_source)`` | +-- FiducialsPanel (fid_panel): Set fiducials on an MRI surface. | |-- MRIHeadWithFiducialsModel (model) [1*]: ``FiducialsPanel(model=CoregFrame.model.mri, headview=CoregFrame.headview)`` | |-- HeadViewController (headview) [4*]: ``FiducialsPanel(model=CoregFrame.model.mri, headview=CoregFrame.headview)`` | +-- SurfaceObject (hsp_obj) [5*]: ``CoregFrame.fid_panel.hsp_obj = CoregFrame.mri_obj`` |-- CoregPanel (coreg_panel): Coregistration panel for Head<->MRI with scaling. | +-- FittingOptionsPanel (fitting_options_panel): panel for fitting options. |-- SurfaceObject (mri_obj) [5]: Represent a solid object in a mayavi scene. +-- PointObject ({hsp, eeg, lpa, nasion, rpa, hsp_lpa, hsp_nasion, hsp_rpa} + _obj): Represent a group of individual points in a mayavi scene. In the MRI viewing frame, MRI points and transformed via scaling, then by mri_head_t to the Neuromag head coordinate frame. Digitized points (in head coordinate frame) are never transformed. Units ----- User-facing GUI values are in readable units: - ``scale_*`` are in % - ``trans_*`` are in mm - ``rot_*`` are in ° Internal computation quantities ``parameters`` are in units of (for X/Y/Z): - ``parameters[:3]`` are in radians - ``parameters[3:6]`` are in m - ``paramteres[6:9]`` are in scale proportion Conversions are handled via `np.deg2rad`, `np.rad2deg`, and appropriate multiplications / divisions. """ # noqa: E501 # Authors: Christian Brodbeck <christianbrodbeck@nyu.edu> # # License: BSD (3-clause) import os import queue import re from threading import Thread import traceback import warnings import numpy as np from mayavi.core.ui.mayavi_scene import MayaviScene from mayavi.tools.mlab_scene_model import MlabSceneModel from pyface.api import (error, confirm, OK, YES, NO, CANCEL, information, FileDialog, GUI) from traits.api import (Bool, Button, cached_property, DelegatesTo, Directory, Enum, Float, HasTraits, HasPrivateTraits, Instance, Int, on_trait_change, Property, Str, List, RGBColor) from traitsui.api import (View, Item, Group, HGroup, VGroup, VGrid, EnumEditor, Handler, Label, Spring, InstanceEditor, StatusItem, UIInfo) from traitsui.menu import Action, UndoButton, CancelButton, NoButtons from tvtk.pyface.scene_editor import SceneEditor from ..bem import make_bem_solution, write_bem_solution from ..coreg import bem_fname, trans_fname from ..defaults import DEFAULTS from ..surface import _DistanceQuery from ..transforms import (write_trans, read_trans, apply_trans, rotation, rotation_angles, Transform, _ensure_trans, rot_to_quat, _angle_between_quats) from ..coreg import fit_matched_points, scale_mri, _find_fiducials_files from ..viz.backends._pysurfer_mayavi import _toggle_mlab_render from ..utils import logger, set_config, _pl from ._fiducials_gui import MRIHeadWithFiducialsModel, FiducialsPanel from ._file_traits import trans_wildcard, DigSource, SubjectSelectorPanel from ._viewer import (HeadViewController, PointObject, SurfaceObject, _DEG_WIDTH, _MM_WIDTH, _BUTTON_WIDTH, _SHOW_BORDER, _COREG_WIDTH, _SCALE_STEP_WIDTH, _INC_BUTTON_WIDTH, _SCALE_WIDTH, _WEIGHT_WIDTH, _MM_STEP_WIDTH, _DEG_STEP_WIDTH, _REDUCED_TEXT_WIDTH, _RESET_LABEL, _RESET_WIDTH, laggy_float_editor_scale, laggy_float_editor_deg, laggy_float_editor_mm, laggy_float_editor_weight) defaults = DEFAULTS['coreg'] class busy(object): """Set the GUI state to busy.""" def __enter__(self): # noqa: D105 GUI.set_busy(True) def __exit__(self, type, value, traceback): # noqa: D105 GUI.set_busy(False) def _pass(x): """Format text without changing it.""" return x class CoregModel(HasPrivateTraits): """Traits object for estimating the head mri transform. Notes ----- Transform from head to mri space is modelled with the following steps: * move the head shape to its nasion position * rotate the head shape with user defined rotation around its nasion * move the head shape by user defined translation * move the head shape origin to the mri nasion If MRI scaling is enabled, * the MRI is scaled relative to its origin center (prior to any transformation of the digitizer head) Don't sync transforms to anything to prevent them from being recomputed upon every parameter change. """ # data sources mri = Instance(MRIHeadWithFiducialsModel, ()) hsp = Instance(DigSource, ()) # parameters guess_mri_subject = Bool(True) # change MRI subject when dig file changes grow_hair = Float(label=u"ΔHair", desc="Move the back of the MRI " "head outwards to compensate for hair on the digitizer " "head shape (mm)") n_scale_params = Enum(0, 1, 3, desc="Scale the MRI to better fit the " "subject's head shape (a new MRI subject will be " "created with a name specified upon saving)") scale_x = Float(100, label="X") scale_y = Float(100, label="Y") scale_z = Float(100, label="Z") trans_x = Float(0, label=u"ΔX") trans_y = Float(0, label=u"ΔY") trans_z = Float(0, label=u"ΔZ") rot_x = Float(0, label=u"∠X") rot_y = Float(0, label=u"∠Y") rot_z = Float(0, label=u"∠Z") parameters = List() last_parameters = List() lpa_weight = Float(1.) nasion_weight = Float(10.) rpa_weight = Float(1.) hsp_weight = Float(1.) eeg_weight = Float(1.) hpi_weight = Float(1.) iteration = Int(-1) icp_iterations = Int(20) icp_angle = Float(0.2) icp_distance = Float(0.2) icp_scale = Float(0.2) icp_fid_match = Enum('nearest', 'matched') fit_icp_running = Bool(False) fits_icp_running = Bool(False) coord_frame = Enum('mri', 'head', desc='Display coordinate frame') status_text = Str() # options during scaling scale_labels = Bool(True, desc="whether to scale *.label files") copy_annot = Bool(True, desc="whether to copy *.annot files for scaled " "subject") prepare_bem_model = Bool(True, desc="whether to run mne_prepare_bem_model " "after scaling the MRI") # secondary to parameters has_nasion_data = Property( Bool, depends_on=['mri:nasion', 'hsp:nasion']) has_lpa_data = Property( Bool, depends_on=['mri:lpa', 'hsp:lpa']) has_rpa_data = Property( Bool, depends_on=['mri:rpa', 'hsp:rpa']) has_fid_data = Property( # conjunction Bool, depends_on=['has_nasion_data', 'has_lpa_data', 'has_rpa_data']) has_mri_data = Property( Bool, depends_on=['transformed_high_res_mri_points']) has_hsp_data = Property( Bool, depends_on=['has_mri_data', 'hsp:points']) has_eeg_data = Property( Bool, depends_on=['has_mri_data', 'hsp:eeg_points']) has_hpi_data = Property( Bool, depends_on=['has_mri_data', 'hsp:hpi_points']) n_icp_points = Property( Int, depends_on=['has_nasion_data', 'nasion_weight', 'has_lpa_data', 'lpa_weight', 'has_rpa_data', 'rpa_weight', 'hsp:points', 'hsp_weight', 'hsp:eeg_points', 'eeg_weight', 'hsp:hpi_points', 'hpi_weight']) changes = Property(depends_on=['parameters', 'old_parameters']) # target transforms mri_head_t = Property( desc="Transformation of the scaled MRI to the head coordinate frame.", depends_on=['parameters[]']) head_mri_t = Property(depends_on=['mri_head_t']) mri_trans = Property(depends_on=['mri_head_t', 'parameters[]', 'coord_frame']) hsp_trans = Property(depends_on=['head_mri_t', 'coord_frame']) # info subject_has_bem = DelegatesTo('mri') lock_fiducials = DelegatesTo('mri') can_prepare_bem_model = Property( Bool, depends_on=['n_scale_params', 'subject_has_bem']) can_save = Property(Bool, depends_on=['mri_head_t']) raw_subject = Property( desc="Subject guess based on the raw file name.", depends_on=['hsp:inst_fname']) # MRI geometry transformed to viewing coordinate system processed_high_res_mri_points = Property( depends_on=['mri:bem_high_res:surf', 'grow_hair']) processed_low_res_mri_points = Property( depends_on=['mri:bem_low_res:surf', 'grow_hair']) transformed_high_res_mri_points = Property( depends_on=['processed_high_res_mri_points', 'mri_trans']) transformed_low_res_mri_points = Property( depends_on=['processed_low_res_mri_points', 'mri_trans']) nearest_calc = Property( Instance(_DistanceQuery), depends_on=['transformed_high_res_mri_points']) nearest_transformed_high_res_mri_idx_lpa = Property( depends_on=['nearest_calc', 'transformed_hsp_lpa']) nearest_transformed_high_res_mri_idx_nasion = Property( depends_on=['nearest_calc', 'transformed_hsp_nasion']) nearest_transformed_high_res_mri_idx_rpa = Property( depends_on=['nearest_calc', 'transformed_hsp_rpa']) nearest_transformed_high_res_mri_idx_hsp = Property( depends_on=['nearest_calc', 'transformed_hsp_points']) nearest_transformed_high_res_mri_idx_orig_hsp = Property( depends_on=['nearest_calc', 'transformed_orig_hsp_points']) nearest_transformed_high_res_mri_idx_eeg = Property( depends_on=['nearest_calc', 'transformed_hsp_eeg_points']) nearest_transformed_high_res_mri_idx_hpi = Property( depends_on=['nearest_calc', 'transformed_hsp_hpi']) transformed_mri_lpa = Property( depends_on=['mri:lpa', 'mri_trans']) transformed_mri_nasion = Property( depends_on=['mri:nasion', 'mri_trans']) transformed_mri_rpa = Property( depends_on=['mri:rpa', 'mri_trans']) # HSP geometry transformed to viewing coordinate system transformed_hsp_points = Property( depends_on=['hsp:points', 'hsp_trans']) transformed_orig_hsp_points = Property( depends_on=['hsp:_hsp_points', 'hsp_trans']) transformed_hsp_lpa = Property( depends_on=['hsp:lpa', 'hsp_trans']) transformed_hsp_nasion = Property( depends_on=['hsp:nasion', 'hsp_trans']) transformed_hsp_rpa = Property( depends_on=['hsp:rpa', 'hsp_trans']) transformed_hsp_eeg_points = Property( depends_on=['hsp:eeg_points', 'hsp_trans']) transformed_hsp_hpi = Property( depends_on=['hsp:hpi', 'hsp_trans']) # fit properties lpa_distance = Property( depends_on=['transformed_mri_lpa', 'transformed_hsp_lpa']) nasion_distance = Property( depends_on=['transformed_mri_nasion', 'transformed_hsp_nasion']) rpa_distance = Property( depends_on=['transformed_mri_rpa', 'transformed_hsp_rpa']) point_distance = Property( # use low res points depends_on=['nearest_transformed_high_res_mri_idx_hsp', 'nearest_transformed_high_res_mri_idx_eeg', 'nearest_transformed_high_res_mri_idx_hpi', 'hsp_weight', 'eeg_weight', 'hpi_weight']) orig_hsp_point_distance = Property( # use low res points depends_on=['nearest_transformed_high_res_mri_idx_orig_hsp', 'hpi_weight']) # fit property info strings fid_eval_str = Property( depends_on=['lpa_distance', 'nasion_distance', 'rpa_distance']) points_eval_str = Property( depends_on=['point_distance']) def _parameters_default(self): return list(_DEFAULT_PARAMETERS) def _last_parameters_default(self): return list(_DEFAULT_PARAMETERS) @cached_property def _get_can_prepare_bem_model(self): return self.subject_has_bem and self.n_scale_params > 0 @cached_property def _get_can_save(self): return np.any(self.mri_head_t != np.eye(4)) @cached_property def _get_has_lpa_data(self): return (np.any(self.mri.lpa) and np.any(self.hsp.lpa)) @cached_property def _get_has_nasion_data(self): return (np.any(self.mri.nasion) and np.any(self.hsp.nasion)) @cached_property def _get_has_rpa_data(self): return (np.any(self.mri.rpa) and np.any(self.hsp.rpa)) @cached_property def _get_has_fid_data(self): return self.has_nasion_data and self.has_lpa_data and self.has_rpa_data @cached_property def _get_has_mri_data(self): return len(self.transformed_high_res_mri_points) > 0 @cached_property def _get_has_hsp_data(self): return (self.has_mri_data and len(self.nearest_transformed_high_res_mri_idx_hsp) > 0) @cached_property def _get_has_eeg_data(self): return (self.has_mri_data and len(self.nearest_transformed_high_res_mri_idx_eeg) > 0) @cached_property def _get_has_hpi_data(self): return (self.has_mri_data and len(self.nearest_transformed_high_res_mri_idx_hpi) > 0) @cached_property def _get_n_icp_points(self): """Get parameters for an ICP iteration.""" n = (self.hsp_weight > 0) * len(self.hsp.points) for key in ('lpa', 'nasion', 'rpa'): if getattr(self, 'has_%s_data' % key): n += 1 n += (self.eeg_weight > 0) * len(self.hsp.eeg_points) n += (self.hpi_weight > 0) * len(self.hsp.hpi_points) return n @cached_property def _get_changes(self): new = np.array(self.parameters, float) old = np.array(self.last_parameters, float) move = np.linalg.norm(old[3:6] - new[3:6]) * 1e3 angle = np.rad2deg(_angle_between_quats( rot_to_quat(rotation(*new[:3])[:3, :3]), rot_to_quat(rotation(*old[:3])[:3, :3]))) percs = 100 * (new[6:] - old[6:]) / old[6:] return move, angle, percs @cached_property def _get_mri_head_t(self): # rotate and translate hsp trans = rotation(*self.parameters[:3]) trans[:3, 3] = np.array(self.parameters[3:6]) return trans @cached_property def _get_head_mri_t(self): trans = rotation(*self.parameters[:3]).T trans[:3, 3] = -np.dot(trans[:3, :3], self.parameters[3:6]) # should be the same as np.linalg.inv(self.mri_head_t) return trans @cached_property def _get_processed_high_res_mri_points(self): return self._get_processed_mri_points('high') @cached_property def _get_processed_low_res_mri_points(self): return self._get_processed_mri_points('low') def _get_processed_mri_points(self, res): bem = self.mri.bem_low_res if res == 'low' else self.mri.bem_high_res if self.grow_hair: if len(bem.surf.nn): scaled_hair_dist = (1e-3 * self.grow_hair / np.array(self.parameters[6:9])) points = bem.surf.rr.copy() hair = points[:, 2] > points[:, 1] points[hair] += bem.surf.nn[hair] * scaled_hair_dist return points else: error(None, "Norms missing from bem, can't grow hair") self.grow_hair = 0 else: return bem.surf.rr @cached_property def _get_mri_trans(self): mri_scaling = np.ones(4) mri_scaling[:3] = self.parameters[6:9] if self.coord_frame == 'head': t = self.mri_head_t else: t = np.eye(4) return t * mri_scaling @cached_property def _get_hsp_trans(self): if self.coord_frame == 'head': t = np.eye(4) else: t = self.head_mri_t return t @cached_property def _get_nearest_transformed_high_res_mri_idx_lpa(self): return self.nearest_calc.query(self.transformed_hsp_lpa)[1] @cached_property def _get_nearest_transformed_high_res_mri_idx_nasion(self): return self.nearest_calc.query(self.transformed_hsp_nasion)[1] @cached_property def _get_nearest_transformed_high_res_mri_idx_rpa(self): return self.nearest_calc.query(self.transformed_hsp_rpa)[1] @cached_property def _get_nearest_transformed_high_res_mri_idx_hsp(self): return self.nearest_calc.query(self.transformed_hsp_points)[1] @cached_property def _get_nearest_transformed_high_res_mri_idx_orig_hsp(self): # This is redundant to some extent with the one above due to # overlapping points, but it's fast and the refactoring to # remove redundancy would be a pain. return self.nearest_calc.query(self.transformed_orig_hsp_points)[1] @cached_property def _get_nearest_transformed_high_res_mri_idx_eeg(self): return self.nearest_calc.query(self.transformed_hsp_eeg_points)[1] @cached_property def _get_nearest_transformed_high_res_mri_idx_hpi(self): return self.nearest_calc.query(self.transformed_hsp_hpi)[1] # MRI view-transformed data @cached_property def _get_transformed_low_res_mri_points(self): points = apply_trans(self.mri_trans, self.processed_low_res_mri_points) return points @cached_property def _get_nearest_calc(self): return _DistanceQuery(self.transformed_high_res_mri_points) @cached_property def _get_transformed_high_res_mri_points(self): points = apply_trans(self.mri_trans, self.processed_high_res_mri_points) return points @cached_property def _get_transformed_mri_lpa(self): return apply_trans(self.mri_trans, self.mri.lpa) @cached_property def _get_transformed_mri_nasion(self): return apply_trans(self.mri_trans, self.mri.nasion) @cached_property def _get_transformed_mri_rpa(self): return apply_trans(self.mri_trans, self.mri.rpa) # HSP view-transformed data @cached_property def _get_transformed_hsp_points(self): return apply_trans(self.hsp_trans, self.hsp.points) @cached_property def _get_transformed_orig_hsp_points(self): return apply_trans(self.hsp_trans, self.hsp._hsp_points) @cached_property def _get_transformed_hsp_lpa(self): return apply_trans(self.hsp_trans, self.hsp.lpa) @cached_property def _get_transformed_hsp_nasion(self): return apply_trans(self.hsp_trans, self.hsp.nasion) @cached_property def _get_transformed_hsp_rpa(self): return apply_trans(self.hsp_trans, self.hsp.rpa) @cached_property def _get_transformed_hsp_eeg_points(self): return apply_trans(self.hsp_trans, self.hsp.eeg_points) @cached_property def _get_transformed_hsp_hpi(self): return apply_trans(self.hsp_trans, self.hsp.hpi_points) # Distances, etc. @cached_property def _get_lpa_distance(self): d = np.ravel(self.transformed_mri_lpa - self.transformed_hsp_lpa) return np.linalg.norm(d) @cached_property def _get_nasion_distance(self): d = np.ravel(self.transformed_mri_nasion - self.transformed_hsp_nasion) return np.linalg.norm(d) @cached_property def _get_rpa_distance(self): d = np.ravel(self.transformed_mri_rpa - self.transformed_hsp_rpa) return np.linalg.norm(d) @cached_property def _get_point_distance(self): mri_points = list() hsp_points = list() if self.hsp_weight > 0 and self.has_hsp_data: mri_points.append(self.transformed_high_res_mri_points[ self.nearest_transformed_high_res_mri_idx_hsp]) hsp_points.append(self.transformed_hsp_points) if self.eeg_weight > 0 and self.has_eeg_data: mri_points.append(self.transformed_high_res_mri_points[ self.nearest_transformed_high_res_mri_idx_eeg]) hsp_points.append(self.transformed_hsp_eeg_points) if self.hpi_weight > 0 and self.has_hpi_data: mri_points.append(self.transformed_high_res_mri_points[ self.nearest_transformed_high_res_mri_idx_hpi]) hsp_points.append(self.transformed_hsp_hpi) if all(len(h) == 0 for h in hsp_points): return None mri_points = np.concatenate(mri_points) hsp_points = np.concatenate(hsp_points) return np.linalg.norm(mri_points - hsp_points, axis=-1) @cached_property def _get_orig_hsp_point_distance(self): mri_points = self.transformed_high_res_mri_points[ self.nearest_transformed_high_res_mri_idx_orig_hsp] hsp_points = self.transformed_orig_hsp_points return np.linalg.norm(mri_points - hsp_points, axis=-1) @cached_property def _get_fid_eval_str(self): d = (self.lpa_distance * 1000, self.nasion_distance * 1000, self.rpa_distance * 1000) return u'Fiducials: %.1f, %.1f, %.1f mm' % d @cached_property def _get_points_eval_str(self): if self.point_distance is None: return "" dists = 1000 * self.point_distance av_dist = np.mean(dists) std_dist = np.std(dists) kinds = [kind for kind, check in (('HSP', self.hsp_weight > 0 and self.has_hsp_data), ('EEG', self.eeg_weight > 0 and self.has_eeg_data), ('HPI', self.hpi_weight > 0 and self.has_hpi_data)) if check] return (u"%s %s: %.1f ± %.1f mm" % (len(dists), '+'.join(kinds), av_dist, std_dist)) def _get_raw_subject(self): # subject name guessed based on the inst file name if '_' in self.hsp.inst_fname: subject, _ = self.hsp.inst_fname.split('_', 1) if subject: return subject @on_trait_change('raw_subject') def _on_raw_subject_change(self, subject): if self.guess_mri_subject: if subject in self.mri.subject_source.subjects: self.mri.subject = subject elif 'fsaverage' in self.mri.subject_source.subjects: self.mri.subject = 'fsaverage' def omit_hsp_points(self, distance): """Exclude head shape points that are far away from the MRI head. Parameters ---------- distance : float Exclude all points that are further away from the MRI head than this distance. Previously excluded points are still excluded unless reset=True is specified. A value of distance <= 0 excludes nothing. reset : bool Reset the filter before calculating new omission (default is False). """ distance = float(distance) if distance <= 0: return # find the new filter mask = self.orig_hsp_point_distance <= distance n_excluded = np.sum(~mask) logger.info("Coregistration: Excluding %i head shape points with " "distance >= %.3f m.", n_excluded, distance) # set the filter with warnings.catch_warnings(record=True): # comp to None in Traits self.hsp.points_filter = mask def fit_fiducials(self, n_scale_params=None): """Find rotation and translation to fit all 3 fiducials.""" if n_scale_params is None: n_scale_params = self.n_scale_params head_pts = np.vstack((self.hsp.lpa, self.hsp.nasion, self.hsp.rpa)) mri_pts = np.vstack((self.mri.lpa, self.mri.nasion, self.mri.rpa)) weights = [self.lpa_weight, self.nasion_weight, self.rpa_weight] assert n_scale_params in (0, 1) # guaranteed by GUI if n_scale_params == 0: mri_pts *= self.parameters[6:9] # not done in fit_matched_points x0 = np.array(self.parameters[:6 + n_scale_params]) est = fit_matched_points(mri_pts, head_pts, x0=x0, out='params', scale=n_scale_params, weights=weights) if n_scale_params == 0: self.parameters[:6] = est else: self.parameters[:] = np.concatenate([est, [est[-1]] * 2]) def _setup_icp(self, n_scale_params): """Get parameters for an ICP iteration.""" head_pts = list() mri_pts = list() weights = list() if self.has_hsp_data and self.hsp_weight > 0: # should be true head_pts.append(self.hsp.points) mri_pts.append(self.processed_high_res_mri_points[ self.nearest_transformed_high_res_mri_idx_hsp]) weights.append(np.full(len(head_pts[-1]), self.hsp_weight)) for key in ('lpa', 'nasion', 'rpa'): if getattr(self, 'has_%s_data' % key): head_pts.append(getattr(self.hsp, key)) if self.icp_fid_match == 'matched': mri_pts.append(getattr(self.mri, key)) else: assert self.icp_fid_match == 'nearest' mri_pts.append(self.processed_high_res_mri_points[ getattr(self, 'nearest_transformed_high_res_mri_idx_%s' % (key,))]) weights.append(np.full(len(mri_pts[-1]), getattr(self, '%s_weight' % key))) if self.has_eeg_data and self.eeg_weight > 0: head_pts.append(self.hsp.eeg_points) mri_pts.append(self.processed_high_res_mri_points[ self.nearest_transformed_high_res_mri_idx_eeg]) weights.append(np.full(len(mri_pts[-1]), self.eeg_weight)) if self.has_hpi_data and self.hpi_weight > 0: head_pts.append(self.hsp.hpi_points) mri_pts.append(self.processed_high_res_mri_points[ self.nearest_transformed_high_res_mri_idx_hpi]) weights.append(np.full(len(mri_pts[-1]), self.hpi_weight)) head_pts = np.concatenate(head_pts) mri_pts = np.concatenate(mri_pts) weights = np.concatenate(weights) if n_scale_params == 0: mri_pts *= self.parameters[6:9] # not done in fit_matched_points return head_pts, mri_pts, weights def fit_icp(self, n_scale_params=None): """Find MRI scaling, translation, and rotation to match HSP.""" if n_scale_params is None: n_scale_params = self.n_scale_params # Initial guess (current state) assert n_scale_params in (0, 1, 3) est = self.parameters[:[6, 7, None, 9][n_scale_params]] # Do the fits, assigning and evaluating at each step attr = 'fit_icp_running' if n_scale_params == 0 else 'fits_icp_running' setattr(self, attr, True) GUI.process_events() # update the cancel button for self.iteration in range(self.icp_iterations): head_pts, mri_pts, weights = self._setup_icp(n_scale_params) est = fit_matched_points(mri_pts, head_pts, scale=n_scale_params, x0=est, out='params', weights=weights) if n_scale_params == 0: self.parameters[:6] = est elif n_scale_params == 1: self.parameters[:] = list(est) + [est[-1]] * 2 else: self.parameters[:] = est angle, move, scale = self.changes if angle <= self.icp_angle and move <= self.icp_distance and \ all(scale <= self.icp_scale): self.status_text = self.status_text[:-1] + '; converged)' break if not getattr(self, attr): # canceled by user self.status_text = self.status_text[:-1] + '; cancelled)' break GUI.process_events() # this will update the head view else: self.status_text = self.status_text[:-1] + '; did not converge)' setattr(self, attr, False) self.iteration = -1 def get_scaling_job(self, subject_to, skip_fiducials): """Find all arguments needed for the scaling worker.""" subjects_dir = self.mri.subjects_dir subject_from = self.mri.subject bem_names = [] if self.can_prepare_bem_model and self.prepare_bem_model: pattern = bem_fname.format(subjects_dir=subjects_dir, subject=subject_from, name='(.+-bem)') bem_dir, pattern = os.path.split(pattern) for filename in os.listdir(bem_dir): match = re.match(pattern, filename) if match: bem_names.append(match.group(1)) return (subjects_dir, subject_from, subject_to, self.parameters[6:9], skip_fiducials, self.scale_labels, self.copy_annot, bem_names) def load_trans(self, fname): """Load the head-mri transform from a fif file. Parameters ---------- fname : str File path. """ self.set_trans(_ensure_trans(read_trans(fname, return_all=True), 'mri', 'head')['trans']) def reset(self): """Reset all the parameters affecting the coregistration.""" with busy(): self.reset_traits(('grow_hair', 'n_scaling_params')) self.parameters[:] = _DEFAULT_PARAMETERS self.omit_hsp_points(np.inf) def set_trans(self, mri_head_t): """Set rotation and translation params from a transformation matrix. Parameters ---------- mri_head_t : array, shape (4, 4) Transformation matrix from MRI to head space. """ with busy(): rot_x, rot_y, rot_z = rotation_angles(mri_head_t) x, y, z = mri_head_t[:3, 3] self.parameters[:6] = [rot_x, rot_y, rot_z, x, y, z] def save_trans(self, fname): """Save the head-mri transform as a fif file. Parameters ---------- fname : str Target file path. """ if not self.can_save: raise RuntimeError("Not enough information for saving transform") write_trans(fname, Transform('head', 'mri', self.head_mri_t)) def _parameters_items_changed(self): # Update GUI as necessary n_scale = self.n_scale_params for ii, key in enumerate(('rot_x', 'rot_y', 'rot_z')): val = np.rad2deg(self.parameters[ii]) if val != getattr(self, key): # prevent circular setattr(self, key, val) for ii, key in enumerate(('trans_x', 'trans_y', 'trans_z')): val = self.parameters[ii + 3] * 1e3 if val != getattr(self, key): # prevent circular setattr(self, key, val) for ii, key in enumerate(('scale_x', 'scale_y', 'scale_z')): val = self.parameters[ii + 6] * 1e2 if val != getattr(self, key): # prevent circular setattr(self, key, val) # Update the status text move, angle, percs = self.changes text = u'Change: Δ=%0.1f mm ∠=%0.2f°' % (move, angle) if n_scale: text += ' Scale ' if n_scale == 1 else ' Sx/y/z ' text += '/'.join(['%+0.1f%%' % p for p in percs[:n_scale]]) if self.iteration >= 0: text += u' (iteration %d/%d)' % (self.iteration + 1, self.icp_iterations) self.last_parameters[:] = self.parameters[:] self.status_text = text def _rot_x_changed(self): self.parameters[0] = np.deg2rad(self.rot_x) def _rot_y_changed(self): self.parameters[1] = np.deg2rad(self.rot_y) def _rot_z_changed(self): self.parameters[2] = np.deg2rad(self.rot_z) def _trans_x_changed(self): self.parameters[3] = self.trans_x * 1e-3 def _trans_y_changed(self): self.parameters[4] = self.trans_y * 1e-3 def _trans_z_changed(self): self.parameters[5] = self.trans_z * 1e-3 def _scale_x_changed(self): if self.n_scale_params == 1: self.parameters[6:9] = [self.scale_x * 1e-2] * 3 else: self.parameters[6] = self.scale_x * 1e-2 def _scale_y_changed(self): self.parameters[7] = self.scale_y * 1e-2 def _scale_z_changed(self): self.parameters[8] = self.scale_z * 1e-2 class CoregFrameHandler(Handler): """Check for unfinished processes before closing its window.""" def object_title_changed(self, info): """Set the title when it gets changed.""" info.ui.title = info.object.title def close(self, info, is_ok): """Handle the close event.""" if info.object.queue.unfinished_tasks: information(None, "Can not close the window while saving is still " "in progress. Please wait until all MRIs are " "processed.", "Saving Still in Progress") return False else: try: # works on Qt only for now size = (info.ui.control.width(), info.ui.control.height()) except AttributeError: size = None # store configuration, but don't prevent from closing on error try: info.object.save_config(size=size) except Exception as exc: warnings.warn("Error saving GUI configuration:\n%s" % (exc,)) return True class CoregPanelHandler(Handler): """Open other windows with proper parenting.""" info = Instance(UIInfo) def object_fitting_options_panel_changed(self, info): # noqa: D102 self.info = info def object_fitting_options_changed(self, info): # noqa: D102 self.info.object.fitting_options_panel.edit_traits( parent=self.info.ui.control) def object_load_trans_changed(self, info): # noqa: D102 # find trans file destination model = self.info.object.model raw_dir = os.path.dirname(model.hsp.file) subject = model.mri.subject trans_file = trans_fname.format(raw_dir=raw_dir, subject=subject) dlg = FileDialog(action="open", wildcard=trans_wildcard, default_path=trans_file, parent=self.info.ui.control) if dlg.open() != OK: return trans_file = dlg.path try: model.load_trans(trans_file) except Exception as e: error(None, "Error loading trans file %s: %s (See terminal " "for details)" % (trans_file, e), "Error Loading Trans File") raise def object_save_changed(self, info): # noqa: D102 obj = self.info.object subjects_dir = obj.model.mri.subjects_dir subject_from = obj.model.mri.subject # check that fiducials are saved skip_fiducials = False if obj.n_scale_params and not _find_fiducials_files(subject_from, subjects_dir): msg = ("No fiducials file has been found for {src}. If fiducials " "are not saved, they will not be available in the scaled " "MRI. Should the current fiducials be saved now? " "Select Yes to save the fiducials at " "{src}/bem/{src}-fiducials.fif. " "Select No to proceed scaling the MRI without fiducials.". format(src=subject_from)) title = "Save Fiducials for %s?" % subject_from rc = confirm(self.info.ui.control, msg, title, cancel=True, default=CANCEL) if rc == CANCEL: return elif rc == YES: obj.model.mri.save(obj.model.mri.default_fid_fname) elif rc == NO: skip_fiducials = True else: raise RuntimeError("rc=%s" % repr(rc)) # find target subject if obj.n_scale_params: subject_to = obj.model.raw_subject or subject_from mridlg = NewMriDialog(subjects_dir=subjects_dir, subject_from=subject_from, subject_to=subject_to) ui = mridlg.edit_traits(kind='modal', parent=self.info.ui.control) if not ui.result: # i.e., user pressed cancel return subject_to = mridlg.subject_to else: subject_to = subject_from # find trans file destination raw_dir = os.path.dirname(obj.model.hsp.file) trans_file = trans_fname.format(raw_dir=raw_dir, subject=subject_to) dlg = FileDialog(action="save as", wildcard=trans_wildcard, default_path=trans_file, parent=self.info.ui.control) dlg.open() if dlg.return_code != OK: return trans_file = dlg.path if not trans_file.endswith('.fif'): trans_file += '.fif' if os.path.exists(trans_file): answer = confirm(None, "The file %r already exists. Should it " "be replaced?", "Overwrite File?") if answer != YES: return # save the trans file try: obj.model.save_trans(trans_file) except Exception as e: error(None, "Error saving -trans.fif file: %s (See terminal for " "details)" % (e,), "Error Saving Trans File") raise # save the scaled MRI if obj.n_scale_params: job = obj.model.get_scaling_job(subject_to, skip_fiducials) obj.queue.put(job) obj.queue_len += 1 def _make_view_data_panel(scrollable=False): view = View(VGroup( VGroup(Item('subject_panel', style='custom'), label="MRI Subject", show_border=_SHOW_BORDER, show_labels=False), VGroup(Item('lock_fiducials', style='custom', editor=EnumEditor(cols=2, values={False: '2:Edit', True: '1:Lock'}), enabled_when='fid_ok'), HGroup(Item('hsp_always_visible', label='Show head shape points', show_label=True, enabled_when='not lock_fiducials', width=-1), show_left=False), Item('fid_panel', style='custom'), label="MRI Fiducials", show_border=_SHOW_BORDER, show_labels=False), VGroup(Item('raw_src', style="custom"), HGroup('guess_mri_subject', Label('Guess subject from name'), show_labels=False), VGrid(Item('grow_hair', editor=laggy_float_editor_mm, width=_MM_WIDTH), Label(u'ΔHair', show_label=True, width=-1), '0', Item('distance', show_label=False, width=_MM_WIDTH, editor=laggy_float_editor_mm), Item('omit_points', width=_BUTTON_WIDTH), Item('reset_omit_points', width=_RESET_WIDTH), columns=3, show_labels=False), Item('omitted_info', style='readonly', width=_REDUCED_TEXT_WIDTH), label='Digitization source', show_border=_SHOW_BORDER, show_labels=False), VGroup(HGroup(Item('headview', style='custom'), Spring(), show_labels=False), Item('view_options', width=_REDUCED_TEXT_WIDTH), label='View', show_border=_SHOW_BORDER, show_labels=False), Spring(), show_labels=False), kind='panel', buttons=[UndoButton], scrollable=scrollable, handler=DataPanelHandler()) return view def _make_view_coreg_panel(scrollable=False): """Generate View for CoregPanel.""" view = View(VGroup( # Scaling HGroup(Item('n_scale_params', label='Scaling mode', editor=EnumEditor(values={0: '1:None', 1: '2:Uniform', 3: '3:3-axis'})), Spring()), VGrid(Item('scale_x', editor=laggy_float_editor_scale, show_label=True, tooltip="Scale along right-left axis (%)", enabled_when='n_scale_params > 0', width=_SCALE_WIDTH), Item('scale_x_dec', enabled_when='n_scale_params > 0', width=_INC_BUTTON_WIDTH), Item('scale_x_inc', enabled_when='n_scale_params > 0', width=_INC_BUTTON_WIDTH), Item('scale_step', tooltip="Scaling step (%)", enabled_when='n_scale_params > 0', width=_SCALE_STEP_WIDTH), Spring(), Item('scale_y', editor=laggy_float_editor_scale, show_label=True, enabled_when='n_scale_params > 1', tooltip="Scale along anterior-posterior axis (%)", width=_SCALE_WIDTH), Item('scale_y_dec', enabled_when='n_scale_params > 1', width=_INC_BUTTON_WIDTH), Item('scale_y_inc', enabled_when='n_scale_params > 1', width=_INC_BUTTON_WIDTH), Label('(Step)', width=_SCALE_WIDTH), Spring(), Item('scale_z', editor=laggy_float_editor_scale, show_label=True, enabled_when='n_scale_params > 1', width=_SCALE_WIDTH, tooltip="Scale along anterior-posterior axis (%)"), Item('scale_z_dec', enabled_when='n_scale_params > 1', width=_INC_BUTTON_WIDTH), Item('scale_z_inc', enabled_when='n_scale_params > 1', width=_INC_BUTTON_WIDTH), '0', Spring(), label='Scaling parameters', show_labels=False, columns=5, show_border=_SHOW_BORDER), VGrid(Item('fits_icp', enabled_when='n_scale_params > 0 and ' 'n_icp_points >= 10', tooltip="Rotate, translate, and scale the MRI to minimize " "the distance from each digitizer point to the closest MRI " "point (one ICP iteration)", width=_BUTTON_WIDTH), Item('fits_fid', enabled_when='n_scale_params == 1 and ' 'has_fid_data', tooltip="Rotate, translate, and scale the MRI to minimize " "the distance of the three fiducials.", width=_BUTTON_WIDTH), Item('cancels_icp', enabled_when="fits_icp_running", tooltip='Stop ICP fitting', width=_RESET_WIDTH), Item('reset_scale', enabled_when='n_scale_params', tooltip="Reset scaling parameters", width=_RESET_WIDTH), show_labels=False, columns=4), # Translation and rotation VGrid(Item('trans_x', editor=laggy_float_editor_mm, show_label=True, tooltip="Move along right-left axis", width=_MM_WIDTH), Item('trans_x_dec', width=_INC_BUTTON_WIDTH), Item('trans_x_inc', width=_INC_BUTTON_WIDTH), Item('trans_step', tooltip="Movement step (mm)", width=_MM_STEP_WIDTH), Spring(), Item('trans_y', editor=laggy_float_editor_mm, show_label=True, tooltip="Move along anterior-posterior axis", width=_MM_WIDTH), Item('trans_y_dec', width=_INC_BUTTON_WIDTH), Item('trans_y_inc', width=_INC_BUTTON_WIDTH), Label('(Step)', width=_MM_WIDTH), Spring(), Item('trans_z', editor=laggy_float_editor_mm, show_label=True, tooltip="Move along anterior-posterior axis", width=_MM_WIDTH), Item('trans_z_dec', width=_INC_BUTTON_WIDTH), Item('trans_z_inc', width=_INC_BUTTON_WIDTH), '0', Spring(), Item('rot_x', editor=laggy_float_editor_deg, show_label=True, tooltip="Tilt the digitization backward (-) or forward (+)", width=_DEG_WIDTH), Item('rot_x_dec', width=_INC_BUTTON_WIDTH), Item('rot_x_inc', width=_INC_BUTTON_WIDTH), Item('rot_step', tooltip=u"Rotation step (°)", width=_DEG_STEP_WIDTH), Spring(), Item('rot_y', editor=laggy_float_editor_deg, show_label=True, tooltip="Tilt the digitization rightward (-) or " "leftward (+)", width=_DEG_WIDTH), Item('rot_y_dec', width=_INC_BUTTON_WIDTH), Item('rot_y_inc', width=_INC_BUTTON_WIDTH), Label('(Step)', width=_DEG_WIDTH), Spring(), Item('rot_z', editor=laggy_float_editor_deg, show_label=True, tooltip="Turn the digitization leftward (-) or " "rightward (+)", width=_DEG_WIDTH), Item('rot_z_dec', width=_INC_BUTTON_WIDTH), Item('rot_z_inc', width=_INC_BUTTON_WIDTH), '0', Spring(), columns=5, show_labels=False, show_border=_SHOW_BORDER, label=u'Translation (Δ) and Rotation (∠)'), VGroup(Item('fit_icp', enabled_when='n_icp_points >= 10', tooltip="Rotate and translate the MRI to minimize the " "distance from each digitizer point to the closest MRI " "point (one ICP iteration)", width=_BUTTON_WIDTH), Item('fit_fid', enabled_when="has_fid_data", tooltip="Rotate and translate the MRI to minimize the " "distance of the three fiducials.", width=_BUTTON_WIDTH), Item('cancel_icp', enabled_when="fit_icp_running", tooltip='Stop ICP iterations', width=_RESET_WIDTH), Item('reset_tr', tooltip="Reset translation and rotation.", width=_RESET_WIDTH), show_labels=False, columns=4), # Fitting weights Item('fid_eval_str', style='readonly', tooltip='Fiducial differences', width=_REDUCED_TEXT_WIDTH), Item('points_eval_str', style='readonly', tooltip='Point error (μ ± σ)', width=_REDUCED_TEXT_WIDTH), Item('fitting_options', width=_REDUCED_TEXT_WIDTH, show_label=False), VGrid(Item('scale_labels', label="Scale label files", enabled_when='n_scale_params > 0'), Item('copy_annot', label="Copy annotation files", enabled_when='n_scale_params > 0'), Item('prepare_bem_model', label="Prepare BEM", enabled_when='can_prepare_bem_model'), show_left=False, label='Subject-saving options', columns=1, show_border=_SHOW_BORDER), VGrid(Item('save', enabled_when='can_save', tooltip="Save the trans file and (if scaling is enabled) " "the scaled MRI", width=_BUTTON_WIDTH), Item('load_trans', width=_BUTTON_WIDTH, tooltip="Load Head<->MRI trans file"), Item('reset_params', tooltip="Reset all coregistration " "parameters", width=_RESET_WIDTH), show_labels=False, columns=3), Spring(), show_labels=False), kind='panel', buttons=[UndoButton], scrollable=scrollable, handler=CoregPanelHandler()) return view class FittingOptionsPanel(HasTraits): """View options panel.""" model = Instance(CoregModel) lpa_weight = DelegatesTo('model') nasion_weight = DelegatesTo('model') rpa_weight = DelegatesTo('model') hsp_weight = DelegatesTo('model') eeg_weight = DelegatesTo('model') hpi_weight = DelegatesTo('model') has_lpa_data = DelegatesTo('model') has_nasion_data = DelegatesTo('model') has_rpa_data = DelegatesTo('model') has_hsp_data = DelegatesTo('model') has_eeg_data = DelegatesTo('model') has_hpi_data = DelegatesTo('model') icp_iterations = DelegatesTo('model') icp_angle = DelegatesTo('model') icp_distance = DelegatesTo('model') icp_scale = DelegatesTo('model') icp_fid_match = DelegatesTo('model') n_scale_params = DelegatesTo('model') view = View(VGroup( VGrid(HGroup(Item('icp_iterations', label='Iterations', width=_MM_WIDTH, tooltip='Maximum ICP iterations to ' 'perform (per click)'), Spring(), show_labels=True), label='ICP iterations (max)', show_border=_SHOW_BORDER), VGrid(Item('icp_angle', label=u'Angle (°)', width=_MM_WIDTH, tooltip='Angle convergence threshold'), Item('icp_distance', label='Distance (mm)', width=_MM_WIDTH, tooltip='Distance convergence threshold'), Item('icp_scale', label='Scale (%)', tooltip='Scaling convergence threshold', width=_MM_WIDTH, enabled_when='n_scale_params > 0'), show_labels=True, label='ICP convergence limits', columns=3, show_border=_SHOW_BORDER), VGrid(Item('icp_fid_match', width=-1, show_label=False, editor=EnumEditor(values=dict( nearest='1:Closest to surface', matched='2:MRI fiducials'), cols=2, format_func=lambda x: x), tooltip='Match digitization fiducials to MRI fiducials or ' 'the closest surface point', style='custom'), label='Fiducial point matching', show_border=_SHOW_BORDER), VGrid( VGrid(Item('lpa_weight', editor=laggy_float_editor_weight, tooltip="Relative weight for LPA", width=_WEIGHT_WIDTH, enabled_when='has_lpa_data', label='LPA'), Item('nasion_weight', editor=laggy_float_editor_weight, tooltip="Relative weight for nasion", label='Nasion', width=_WEIGHT_WIDTH, enabled_when='has_nasion_data'), Item('rpa_weight', editor=laggy_float_editor_weight, tooltip="Relative weight for RPA", width=_WEIGHT_WIDTH, enabled_when='has_rpa_data', label='RPA'), columns=3, show_labels=True, show_border=_SHOW_BORDER, label='Fiducials'), VGrid(Item('hsp_weight', editor=laggy_float_editor_weight, tooltip="Relative weight for head shape points", enabled_when='has_hsp_data', label='HSP', width=_WEIGHT_WIDTH,), Item('eeg_weight', editor=laggy_float_editor_weight, tooltip="Relative weight for EEG points", label='EEG', enabled_when='has_eeg_data', width=_WEIGHT_WIDTH), Item('hpi_weight', editor=laggy_float_editor_weight, tooltip="Relative weight for HPI points", label='HPI', enabled_when='has_hpi_data', width=_WEIGHT_WIDTH), columns=3, show_labels=True, show_border=_SHOW_BORDER, label='Other points (closest-point matched)'), show_labels=False, label='Point weights', columns=2, show_border=_SHOW_BORDER), ), title="Fitting options") _DEFAULT_PARAMETERS = (0., 0., 0., 0., 0., 0., 1., 1., 1.) class CoregPanel(HasPrivateTraits): """Coregistration panel for Head<->MRI with scaling.""" model = Instance(CoregModel) # parameters reset_params = Button(label=_RESET_LABEL) n_scale_params = DelegatesTo('model') parameters = DelegatesTo('model') scale_step = Float(1.) scale_x = DelegatesTo('model') scale_x_dec = Button('-') scale_x_inc = Button('+') scale_y = DelegatesTo('model') scale_y_dec = Button('-') scale_y_inc = Button('+') scale_z = DelegatesTo('model') scale_z_dec = Button('-') scale_z_inc = Button('+') rot_step = Float(1.) rot_x = DelegatesTo('model') rot_x_dec = Button('-') rot_x_inc = Button('+') rot_y = DelegatesTo('model') rot_y_dec = Button('-') rot_y_inc = Button('+') rot_z = DelegatesTo('model') rot_z_dec = Button('-') rot_z_inc = Button('+') trans_step = Float(1.) trans_x = DelegatesTo('model') trans_x_dec = Button('-') trans_x_inc = Button('+') trans_y = DelegatesTo('model') trans_y_dec = Button('-') trans_y_inc = Button('+') trans_z = DelegatesTo('model') trans_z_dec = Button('-') trans_z_inc = Button('+') # fitting has_lpa_data = DelegatesTo('model') has_nasion_data = DelegatesTo('model') has_rpa_data = DelegatesTo('model') has_fid_data = DelegatesTo('model') has_hsp_data = DelegatesTo('model') has_eeg_data = DelegatesTo('model') has_hpi_data = DelegatesTo('model') n_icp_points = DelegatesTo('model') # fitting with scaling fits_icp = Button(label='Fit (ICP)') fits_fid = Button(label='Fit Fid.') cancels_icp = Button(u'■') reset_scale = Button(label=_RESET_LABEL) fits_icp_running = DelegatesTo('model') # fitting without scaling fit_icp = Button(label='Fit (ICP)') fit_fid = Button(label='Fit Fid.') cancel_icp = Button(label=u'■') reset_tr = Button(label=_RESET_LABEL) fit_icp_running = DelegatesTo('model') # fit info fid_eval_str = DelegatesTo('model') points_eval_str = DelegatesTo('model') # saving can_prepare_bem_model = DelegatesTo('model') can_save = DelegatesTo('model') scale_labels = DelegatesTo('model') copy_annot = DelegatesTo('model') prepare_bem_model = DelegatesTo('model') save = Button(label="Save...") load_trans = Button(label='Load...') queue = Instance(queue.Queue, ()) queue_feedback = Str('') queue_current = Str('') queue_len = Int(0) queue_status_text = Property( Str, depends_on=['queue_feedback', 'queue_current', 'queue_len']) fitting_options_panel = Instance(FittingOptionsPanel) fitting_options = Button('Fitting options...') def _fitting_options_panel_default(self): return FittingOptionsPanel(model=self.model) view = _make_view_coreg_panel() def __init__(self, *args, **kwargs): # noqa: D102 super(CoregPanel, self).__init__(*args, **kwargs) # Setup scaling worker def worker(): while True: (subjects_dir, subject_from, subject_to, scale, skip_fiducials, include_labels, include_annot, bem_names) = self.queue.get() self.queue_len -= 1 # Scale MRI files self.queue_current = 'Scaling %s...' % subject_to try: scale_mri(subject_from, subject_to, scale, True, subjects_dir, skip_fiducials, include_labels, include_annot) except Exception: logger.error('Error scaling %s:\n' % subject_to + traceback.format_exc()) self.queue_feedback = ('Error scaling %s (see Terminal)' % subject_to) bem_names = () # skip bem solutions else: self.queue_feedback = 'Done scaling %s' % subject_to # Precompute BEM solutions for bem_name in bem_names: self.queue_current = ('Computing %s solution...' % bem_name) try: bem_file = bem_fname.format(subjects_dir=subjects_dir, subject=subject_to, name=bem_name) bemsol = make_bem_solution(bem_file) write_bem_solution(bem_file[:-4] + '-sol.fif', bemsol) except Exception: logger.error('Error computing %s solution:\n' % bem_name + traceback.format_exc()) self.queue_feedback = ('Error computing %s solution ' '(see Terminal)' % bem_name) else: self.queue_feedback = ('Done computing %s solution' % bem_name) # Finalize self.queue_current = '' self.queue.task_done() t = Thread(target=worker) t.daemon = True t.start() @cached_property def _get_queue_status_text(self): items = [] if self.queue_current: items.append(self.queue_current) if self.queue_feedback: items.append(self.queue_feedback) if self.queue_len: items.append("%i queued" % self.queue_len) return ' | '.join(items) @cached_property def _get_rotation(self): rot = np.array([self.rot_x, self.rot_y, self.rot_z]) return rot @cached_property def _get_translation(self): trans = np.array([self.trans_x, self.trans_y, self.trans_z]) return trans def _n_scale_params_fired(self): if self.n_scale_params == 0: use = [1] * 3 elif self.n_scale_params == 1: use = [np.mean([self.scale_x, self.scale_y, self.scale_z]) / 100.] * 3 else: use = self.parameters[6:9] self.parameters[6:9] = use def _fit_fid_fired(self): with busy(): self.model.fit_fiducials(0) def _fit_icp_fired(self): with busy(): self.model.fit_icp(0) def _fits_fid_fired(self): with busy(): self.model.fit_fiducials() def _fits_icp_fired(self): with busy(): self.model.fit_icp() def _cancel_icp_fired(self): self.fit_icp_running = False def _cancels_icp_fired(self): self.fits_icp_running = False def _reset_scale_fired(self): self.reset_traits(('scale_x', 'scale_y', 'scale_z')) def _reset_tr_fired(self): self.reset_traits(('trans_x', 'trans_y', 'trans_z', 'rot_x', 'rot_y', 'rot_z')) def _reset_params_fired(self): self.model.reset() def _rot_x_dec_fired(self): self.rot_x -= self.rot_step def _rot_x_inc_fired(self): self.rot_x += self.rot_step def _rot_y_dec_fired(self): self.rot_y -= self.rot_step def _rot_y_inc_fired(self): self.rot_y += self.rot_step def _rot_z_dec_fired(self): self.rot_z -= self.rot_step def _rot_z_inc_fired(self): self.rot_z += self.rot_step def _scale_x_dec_fired(self): self.scale_x -= self.scale_step def _scale_x_inc_fired(self): self.scale_x += self.scale_step def _scale_y_dec_fired(self): self.scale_y -= self.scale_step def _scale_y_inc_fired(self): self.scale_y += self.scale_step def _scale_z_dec_fired(self): self.scale_z -= self.scale_step def _scale_z_inc_fired(self): self.scale_z += self.scale_step def _trans_x_dec_fired(self): self.trans_x -= self.trans_step def _trans_x_inc_fired(self): self.trans_x += self.trans_step def _trans_y_dec_fired(self): self.trans_y -= self.trans_step def _trans_y_inc_fired(self): self.trans_y += self.trans_step def _trans_z_dec_fired(self): self.trans_z -= self.trans_step def _trans_z_inc_fired(self): self.trans_z += self.trans_step class NewMriDialog(HasPrivateTraits): """New MRI dialog.""" # Dialog to determine target subject name for a scaled MRI subjects_dir = Directory subject_to = Str subject_from = Str subject_to_dir = Property(depends_on=['subjects_dir', 'subject_to']) subject_to_exists = Property(Bool, depends_on='subject_to_dir') feedback = Str(' ' * 100) can_overwrite = Bool overwrite = Bool can_save = Bool view = View(Item('subject_to', label='New MRI Subject Name', tooltip="A " "new folder with this name will be created in the " "current subjects_dir for the scaled MRI files"), Item('feedback', show_label=False, style='readonly'), Item('overwrite', enabled_when='can_overwrite', tooltip="If a " "subject with the chosen name exists, delete the old " "subject"), buttons=[CancelButton, Action(name='OK', enabled_when='can_save')]) def _can_overwrite_changed(self, new): if not new: self.overwrite = False @cached_property def _get_subject_to_dir(self): return os.path.join(self.subjects_dir, self.subject_to) @cached_property def _get_subject_to_exists(self): if not self.subject_to: return False elif os.path.exists(self.subject_to_dir): return True else: return False @on_trait_change('subject_to_dir,overwrite') def update_dialog(self): if not self.subject_from: # weird trait state that occurs even when subject_from is set return elif not self.subject_to: self.feedback = "No subject specified..." self.can_save = False self.can_overwrite = False elif self.subject_to == self.subject_from: self.feedback = "Must be different from MRI source subject..." self.can_save = False self.can_overwrite = False elif self.subject_to_exists: if self.overwrite: self.feedback = "%s will be overwritten." % self.subject_to self.can_save = True self.can_overwrite = True else: self.feedback = "Subject already exists..." self.can_save = False self.can_overwrite = True else: self.feedback = "Name ok." self.can_save = True self.can_overwrite = False def _make_view(tabbed=False, split=False, width=800, height=600, scrollable=True): """Create a view for the CoregFrame.""" # Set the width to 0.99 to "push out" as much as possible, use # scene_width in the View below scene = Item('scene', show_label=False, width=0.99, editor=SceneEditor(scene_class=MayaviScene)) data_panel = VGroup( Item('data_panel', style='custom', width=_COREG_WIDTH if scrollable else 1, editor=InstanceEditor(view=_make_view_data_panel(scrollable))), label='Data', show_border=not scrollable, show_labels=False) # Setting `scrollable=True` for a Group does not seem to have any effect # (macOS), in order to be effective the parameter has to be set for a View # object; hence we use a special InstanceEditor to set the parameter # programmatically: coreg_panel = VGroup( Item('coreg_panel', style='custom', width=_COREG_WIDTH if scrollable else 1, editor=InstanceEditor(view=_make_view_coreg_panel(scrollable))), label="Coregistration", show_border=not scrollable, show_labels=False, enabled_when="data_panel.fid_panel.locked") main_layout = 'split' if split else 'normal' if tabbed: main = HGroup(scene, Group(data_panel, coreg_panel, show_labels=False, layout='tabbed'), layout=main_layout) else: main = HGroup(data_panel, scene, coreg_panel, show_labels=False, layout=main_layout) # Here we set the width and height to impossibly small numbers to force the # window to be as tight as possible view = View(main, resizable=True, handler=CoregFrameHandler(), buttons=NoButtons, width=width, height=height, statusbar=[StatusItem('status_text', width=0.55), StatusItem('queue_status_text', width=0.45)]) return view class ViewOptionsPanel(HasTraits): """View options panel.""" mri_obj = Instance(SurfaceObject) hsp_obj = Instance(PointObject) eeg_obj = Instance(PointObject) hpi_obj = Instance(PointObject) hsp_cf_obj = Instance(PointObject) mri_cf_obj = Instance(PointObject) bgcolor = RGBColor() coord_frame = Enum('mri', 'head', label='Display coordinate frame') head_high_res = Bool(True, label='Show high-resolution head') advanced_rendering = Bool(True, label='Use advanced OpenGL', desc='Enable advanced OpenGL methods that do ' 'not work with all renderers (e.g., depth ' 'peeling)') view = View( VGroup( Item('mri_obj', style='custom', label="MRI"), Item('hsp_obj', style='custom', label="Head shape"), Item('eeg_obj', style='custom', label='EEG'), Item('hpi_obj', style='custom', label='HPI'), VGrid(Item('coord_frame', style='custom', editor=EnumEditor(values={'mri': '1:MRI', 'head': '2:Head'}, cols=2, format_func=_pass)), Item('head_high_res'), Spring(), Item('advanced_rendering'), Spring(), Spring(), columns=3, show_labels=True), Item('hsp_cf_obj', style='custom', label='Head axes'), Item('mri_cf_obj', style='custom', label='MRI axes'), HGroup(Item('bgcolor', label='Background'), Spring()), ), title="Display options") class DataPanelHandler(Handler): """Open other windows with proper parenting.""" info = Instance(UIInfo) def object_view_options_panel_changed(self, info): # noqa: D102 self.info = info def object_view_options_changed(self, info): # noqa: D102 self.info.object.view_options_panel.edit_traits( parent=self.info.ui.control) class DataPanel(HasTraits): """Data loading panel.""" # Set by CoregPanel model = Instance(CoregModel) scene = Instance(MlabSceneModel, ()) lock_fiducials = DelegatesTo('model') guess_mri_subject = DelegatesTo('model') raw_src = DelegatesTo('model', 'hsp') # Set internally subject_panel = Instance(SubjectSelectorPanel) fid_panel = Instance(FiducialsPanel) headview = Instance(HeadViewController) view_options_panel = Instance(ViewOptionsPanel) hsp_always_visible = Bool(False, label="Always Show Head Shape") view_options = Button(label="Display options...") # Omit Points distance = Float(10., desc="maximal distance for head shape points from " "the surface (mm)") omit_points = Button(label='Omit', desc="to omit head shape points " "for the purpose of the automatic coregistration " "procedure (mm).") grow_hair = DelegatesTo('model') reset_omit_points = Button(label=_RESET_LABEL, desc="to reset the " "omission of head shape points to include all.") omitted_info = Str('No points omitted') def _subject_panel_default(self): return SubjectSelectorPanel(model=self.model.mri.subject_source) def _fid_panel_default(self): return FiducialsPanel(model=self.model.mri, headview=self.headview) def _headview_default(self): return HeadViewController(system='RAS', scene=self.scene) def _omit_points_fired(self): distance = self.distance / 1000. self.model.omit_hsp_points(distance) n_omitted = self.model.hsp.n_omitted self.omitted_info = ( "%s pt%s omitted (%0.1f mm)" % (n_omitted if n_omitted > 0 else 'No', _pl(n_omitted), self.distance)) @on_trait_change('model:hsp:file') def _file_change(self): self._reset_omit_points_fired() def _reset_omit_points_fired(self): self.model.omit_hsp_points(np.inf) self.omitted_info = 'No points omitted (reset)' class CoregFrame(HasTraits): """GUI for head-MRI coregistration.""" model = Instance(CoregModel) scene = Instance(MlabSceneModel, ()) head_high_res = Bool(True) advanced_rendering = Bool(True) data_panel = Instance(DataPanel) coreg_panel = Instance(CoregPanel) # right panel project_to_surface = DelegatesTo('eeg_obj') orient_to_surface = DelegatesTo('hsp_obj') scale_by_distance = DelegatesTo('hsp_obj') mark_inside = DelegatesTo('hsp_obj') status_text = DelegatesTo('model') queue_status_text = DelegatesTo('coreg_panel') fid_ok = DelegatesTo('model', 'mri.fid_ok') lock_fiducials = DelegatesTo('model') title = Str('MNE Coreg') # visualization (MRI) mri_obj = Instance(SurfaceObject) mri_lpa_obj = Instance(PointObject) mri_nasion_obj = Instance(PointObject) mri_rpa_obj = Instance(PointObject) bgcolor = RGBColor((0.5, 0.5, 0.5)) # visualization (Digitization) hsp_obj = Instance(PointObject) eeg_obj = Instance(PointObject) hpi_obj = Instance(PointObject) hsp_lpa_obj = Instance(PointObject) hsp_nasion_obj = Instance(PointObject) hsp_rpa_obj = Instance(PointObject) hsp_visible = Property(depends_on=['data_panel:hsp_always_visible', 'lock_fiducials']) # Coordinate frame axes hsp_cf_obj = Instance(PointObject) mri_cf_obj = Instance(PointObject) picker = Instance(object) # Processing queue = DelegatesTo('coreg_panel') view = _make_view() def _model_default(self): return CoregModel( scale_labels=self._config.get( 'MNE_COREG_SCALE_LABELS', 'true') == 'true', copy_annot=self._config.get( 'MNE_COREG_COPY_ANNOT', 'true') == 'true', prepare_bem_model=self._config.get( 'MNE_COREG_PREPARE_BEM', 'true') == 'true') def _data_panel_default(self): return DataPanel(model=self.model, scene=self.scene) def _coreg_panel_default(self): return CoregPanel(model=self.model) def __init__(self, raw=None, subject=None, subjects_dir=None, guess_mri_subject=True, head_opacity=1., head_high_res=True, trans=None, config=None, project_eeg=False, orient_to_surface=False, scale_by_distance=False, mark_inside=False, interaction='trackball', scale=0.16, advanced_rendering=True): # noqa: D102 self._config = config or {} super(CoregFrame, self).__init__(guess_mri_subject=guess_mri_subject, head_high_res=head_high_res, advanced_rendering=advanced_rendering) self._initial_kwargs = dict(project_eeg=project_eeg, orient_to_surface=orient_to_surface, scale_by_distance=scale_by_distance, mark_inside=mark_inside, head_opacity=head_opacity, interaction=interaction, scale=scale) self._locked_opacity = self._initial_kwargs['head_opacity'] if not 0 <= head_opacity <= 1: raise ValueError( "head_opacity needs to be a floating point number between 0 " "and 1, got %r" % (head_opacity,)) if (subjects_dir is not None) and os.path.isdir(subjects_dir): self.model.mri.subjects_dir = subjects_dir if raw is not None: self.model.hsp.file = raw if subject is not None: if subject not in self.model.mri.subject_source.subjects: msg = "%s is not a valid subject. " % subject # no subjects -> [''] if any(self.model.mri.subject_source.subjects): ss = ', '.join(self.model.mri.subject_source.subjects) msg += ("The following subjects have been found: %s " "(subjects_dir=%s). " % (ss, self.model.mri.subjects_dir)) else: msg += ("No subjects were found in subjects_dir=%s. " % self.model.mri.subjects_dir) msg += ("Make sure all MRI subjects have head shape files " "(run $ mne make_scalp_surfaces).") raise ValueError(msg) self.model.mri.subject = subject if trans is not None: try: self.model.load_trans(trans) except Exception as e: error(None, "Error loading trans file %s: %s (See terminal " "for details)" % (trans, e), "Error Loading Trans File") @on_trait_change('subject_panel:subject') def _set_title(self): self.title = '%s - MNE Coreg' % self.model.mri.subject @on_trait_change('scene:activated') def _init_plot(self): _toggle_mlab_render(self, False) self._on_advanced_rendering_change() lpa_color = defaults['lpa_color'] nasion_color = defaults['nasion_color'] rpa_color = defaults['rpa_color'] # MRI scalp # # Due to MESA rendering / z-order bugs, this should be added and # rendered first (see gh-5375). color = defaults['head_color'] self.mri_obj = SurfaceObject( points=np.empty((0, 3)), color=color, tris=np.empty((0, 3)), scene=self.scene, name="MRI Scalp", block_behind=True, # opacity=self._initial_kwargs['head_opacity'], # setting opacity here causes points to be # [[0, 0, 0]] -- why?? ) self.mri_obj.opacity = self._initial_kwargs['head_opacity'] self.data_panel.fid_panel.hsp_obj = self.mri_obj self._update_mri_obj() self.mri_obj.plot() # Do not do sync_trait here, instead use notifiers elsewhere # MRI Fiducials point_scale = defaults['mri_fid_scale'] self.mri_lpa_obj = PointObject(scene=self.scene, color=lpa_color, has_norm=True, point_scale=point_scale, name='LPA') self.model.sync_trait('transformed_mri_lpa', self.mri_lpa_obj, 'points', mutual=False) self.mri_nasion_obj = PointObject(scene=self.scene, color=nasion_color, has_norm=True, point_scale=point_scale, name='Nasion') self.model.sync_trait('transformed_mri_nasion', self.mri_nasion_obj, 'points', mutual=False) self.mri_rpa_obj = PointObject(scene=self.scene, color=rpa_color, has_norm=True, point_scale=point_scale, name='RPA') self.model.sync_trait('transformed_mri_rpa', self.mri_rpa_obj, 'points', mutual=False) # Digitizer Head Shape kwargs = dict( view='cloud', scene=self.scene, resolution=20, orient_to_surface=self._initial_kwargs['orient_to_surface'], scale_by_distance=self._initial_kwargs['scale_by_distance'], mark_inside=self._initial_kwargs['mark_inside']) self.hsp_obj = PointObject( color=defaults['extra_color'], name='Extra', has_norm=True, point_scale=defaults['extra_scale'], **kwargs) self.model.sync_trait('transformed_hsp_points', self.hsp_obj, 'points', mutual=False) # Digitizer EEG self.eeg_obj = PointObject( color=defaults['eeg_color'], point_scale=defaults['eeg_scale'], name='EEG', projectable=True, has_norm=True, project_to_surface=self._initial_kwargs['project_eeg'], **kwargs) self.model.sync_trait('transformed_hsp_eeg_points', self.eeg_obj, 'points', mutual=False) # Digitizer HPI self.hpi_obj = PointObject( color=defaults['hpi_color'], name='HPI', has_norm=True, point_scale=defaults['hpi_scale'], **kwargs) self.model.sync_trait('transformed_hsp_hpi', self.hpi_obj, 'points', mutual=False) for p in (self.hsp_obj, self.eeg_obj, self.hpi_obj): p.inside_color = self.mri_obj.color self.mri_obj.sync_trait('color', p, 'inside_color', mutual=False) # Digitizer Fiducials point_scale = defaults['dig_fid_scale'] opacity = defaults['dig_fid_opacity'] self.hsp_lpa_obj = PointObject( scene=self.scene, color=lpa_color, opacity=opacity, has_norm=True, point_scale=point_scale, name='HSP-LPA') self.model.sync_trait('transformed_hsp_lpa', self.hsp_lpa_obj, 'points', mutual=False) self.hsp_nasion_obj = PointObject( scene=self.scene, color=nasion_color, opacity=opacity, has_norm=True, point_scale=point_scale, name='HSP-Nasion') self.model.sync_trait('transformed_hsp_nasion', self.hsp_nasion_obj, 'points', mutual=False) self.hsp_rpa_obj = PointObject( scene=self.scene, color=rpa_color, opacity=opacity, has_norm=True, point_scale=point_scale, name='HSP-RPA') self.model.sync_trait('transformed_hsp_rpa', self.hsp_rpa_obj, 'points', mutual=False) # All points share these for p in (self.hsp_obj, self.eeg_obj, self.hpi_obj, self.hsp_lpa_obj, self.hsp_nasion_obj, self.hsp_rpa_obj): self.sync_trait('hsp_visible', p, 'visible', mutual=False) on_pick = self.scene.mayavi_scene.on_mouse_pick self.picker = on_pick(self.data_panel.fid_panel._on_pick, type='cell') # Coordinate frame axes self.mri_cf_obj = PointObject( scene=self.scene, color=self.mri_obj.color, opacity=self.mri_obj.opacity, label_scale=5e-3, point_scale=0.02, name='MRI', view='arrow') self.mri_obj.sync_trait('color', self.mri_cf_obj, mutual=False) self._update_mri_axes() self.hsp_cf_obj = PointObject( scene=self.scene, color=self.hsp_obj.color, opacity=self.mri_obj.opacity, label_scale=5e-3, point_scale=0.02, name='Head', view='arrow') self.hsp_cf_obj.sync_trait('color', self.hsp_cf_obj, mutual=False) self._update_hsp_axes() self.sync_trait('bgcolor', self.scene, 'background') self._update_projections() _toggle_mlab_render(self, True) self.scene.render() self.scene.camera.focal_point = (0., 0., 0.) self.data_panel.view_options_panel = ViewOptionsPanel( mri_obj=self.mri_obj, hsp_obj=self.hsp_obj, eeg_obj=self.eeg_obj, hpi_obj=self.hpi_obj, hsp_cf_obj=self.hsp_cf_obj, mri_cf_obj=self.mri_cf_obj, head_high_res=self.head_high_res, bgcolor=self.bgcolor, advanced_rendering=self.advanced_rendering) self.data_panel.headview.scale = self._initial_kwargs['scale'] self.data_panel.headview.interaction = \ self._initial_kwargs['interaction'] self.data_panel.headview.left = True self.data_panel.view_options_panel.sync_trait( 'coord_frame', self.model) self.data_panel.view_options_panel.sync_trait('head_high_res', self) self.data_panel.view_options_panel.sync_trait('advanced_rendering', self) self.data_panel.view_options_panel.sync_trait('bgcolor', self) @on_trait_change('advanced_rendering') def _on_advanced_rendering_change(self): renderer = getattr(self.scene, 'renderer', None) if renderer is None: return if self.advanced_rendering: renderer.use_depth_peeling = 1 renderer.occlusion_ratio = 0.1 renderer.maximum_number_of_peels = 100 renderer.vtk_window.multi_samples = 0 renderer.vtk_window.alpha_bit_planes = 1 else: renderer.use_depth_peeling = 0 renderer.vtk_window.multi_samples = 8 renderer.vtk_window.alpha_bit_planes = 0 if hasattr(renderer, 'use_fxaa'): self.scene.renderer.use_fxaa = True self.scene.render() @on_trait_change('lock_fiducials') def _on_lock_change(self): if not self.lock_fiducials: if self.mri_obj is None: self._initial_kwargs['head_opacity'] = 1. else: self._locked_opacity = self.mri_obj.opacity self.mri_obj.opacity = 1. else: if self.mri_obj is not None: self.mri_obj.opacity = self._locked_opacity @cached_property def _get_hsp_visible(self): return self.data_panel.hsp_always_visible or self.lock_fiducials @on_trait_change('model:mri_trans') def _update_mri_axes(self): if self.mri_cf_obj is None: return nn = apply_trans(self.model.mri_trans, np.eye(3), move=False) pts = apply_trans(self.model.mri_trans, np.zeros((3, 3))) self.mri_cf_obj.nn = nn self.mri_cf_obj.points = pts @on_trait_change('model:hsp_trans') def _update_hsp_axes(self): if self.hsp_cf_obj is None: return nn = apply_trans(self.model.hsp_trans, np.eye(3), move=False) pts = apply_trans(self.model.hsp_trans, np.zeros((3, 3))) self.hsp_cf_obj.nn = nn self.hsp_cf_obj.points = pts @on_trait_change('model:mri:bem_low_res:surf,' 'model:transformed_low_res_mri_points') def _update_projections(self): for p in (self.eeg_obj, self.hsp_obj, self.hpi_obj): if p is not None: p.project_to_tris = self.model.mri.bem_low_res.surf.tris p.project_to_points = self.model.transformed_low_res_mri_points @on_trait_change('model:mri:bem_low_res:surf,head_high_res,' 'model:transformed_high_res_mri_points') def _update_mri_obj(self): if self.mri_obj is None: return self.mri_obj.tris = getattr( self.model.mri, 'bem_%s_res' % ('high' if self.head_high_res else 'low',)).surf.tris self.mri_obj.points = getattr( self.model, 'transformed_%s_res_mri_points' % ('high' if self.head_high_res else 'low',)) # automatically lock fiducials if a good fiducials file is loaded @on_trait_change('model:mri:fid_file') def _on_fid_file_loaded(self): self.data_panel.fid_panel.locked = bool(self.model.mri.fid_file) def save_config(self, home_dir=None, size=None): """Write configuration values.""" def s_c(key, value, lower=True): value = str(value) if lower: value = value.lower() set_config(key, str(value).lower(), home_dir=home_dir, set_env=False) s_c('MNE_COREG_GUESS_MRI_SUBJECT', self.model.guess_mri_subject) s_c('MNE_COREG_HEAD_HIGH_RES', self.head_high_res) s_c('MNE_COREG_ADVANCED_RENDERING', self.advanced_rendering) if self.lock_fiducials: opacity = self.mri_obj.opacity else: opacity = self._locked_opacity s_c('MNE_COREG_HEAD_OPACITY', opacity) if size is not None: s_c('MNE_COREG_WINDOW_WIDTH', size[0]) s_c('MNE_COREG_WINDOW_HEIGHT', size[1]) s_c('MNE_COREG_SCENE_SCALE', self.data_panel.headview.scale) s_c('MNE_COREG_SCALE_LABELS', self.model.scale_labels) s_c('MNE_COREG_COPY_ANNOT', self.model.copy_annot) s_c('MNE_COREG_PREPARE_BEM', self.model.prepare_bem_model) if self.model.mri.subjects_dir: s_c('MNE_COREG_SUBJECTS_DIR', self.model.mri.subjects_dir, False) s_c('MNE_COREG_PROJECT_EEG', self.project_to_surface) s_c('MNE_COREG_ORIENT_TO_SURFACE', self.orient_to_surface) s_c('MNE_COREG_SCALE_BY_DISTANCE', self.scale_by_distance) s_c('MNE_COREG_MARK_INSIDE', self.mark_inside) s_c('MNE_COREG_INTERACTION', self.data_panel.headview.interaction)
adykstra/mne-python
mne/gui/_coreg_gui.py
Python
bsd-3-clause
87,039
[ "Mayavi" ]
a9094be0c6d7f85bb2df500e2dd289d3e98af47a36ddfc12044656bd06ddb453
from gpaw.sphere.lebedev import run, weight_n, Y_nL, R_nv weight0_n, Y0_nL, R0_nv = run() assert (abs(weight0_n - weight_n).sum() + abs(Y0_nL - Y_nL).sum() + abs(R0_nv - R_nv).sum()) < 1e-13
qsnake/gpaw
gpaw/test/lebedev.py
Python
gpl-3.0
209
[ "GPAW" ]
27dd396035ff43d7453db401c5bf29011070de99c87ede3a0348b8b5f89bae75
#* This file is part of the MOOSE framework #* https://www.mooseframework.org #* #* All rights reserved, see COPYRIGHT for full restrictions #* https://github.com/idaholab/moose/blob/master/COPYRIGHT #* #* Licensed under LGPL 2.1, please see LICENSE for details #* https://www.gnu.org/licenses/lgpl-2.1.html class InputParameters: def __init__(self, *args): self.valid = {} self.strict_types = {} self.desc = {} self.substitute = {} self.required = set() self.private = set() self.group = {} def addRequiredParam(self, name, *args): self.required.add(name) self.addParam(name, *args) def addParam(self, name, *args): if len(args) == 2: self.valid[name] = args[0] self.desc[name] = args[-1] def addRequiredParamWithType(self, name, my_type, *args): self.required.add(name) self.addParamWithType(name, my_type, *args) def addParamWithType(self, name, my_type, *args): if len(args) == 3: self.valid[name] = args[0] self.strict_types[name] = my_type self.desc[name] = args[-1] def addPrivateParam(self, name, *args): self.private.add(name) if len(args) == 1: self.valid[name] = args[0] def addStringSubParam(self, name, substitution, *args): self.substitute[name] = substitution self.addParam(name, *args) def isValid(self, name): if name in self.valid and self.valid[name] != None and self.valid[name] != []: return True else: return False def __contains__(self, item): return item in self.desc def __getitem__(self, key): return self.valid[key] def __setitem__(self, key, value): self.valid[key] = value ## # Adds parameters from another InputParameters object via += operator # @param add_params The InputParameters object to merge into the existing object def __iadd__(self, add_params): # Loop through all possible parameters and perform the correct adding into # this InputParameters object for key in add_params.keys(): if add_params.isRequired(key): self.addRequiredParam(key, add_params[key], add_params.desc[key]) elif add_params.isValid(key): self.addParam(key, add_params[key], add_params.desc[key]) else: self.addParam(key, add_params.desc[key]) # Return this InputParameters object return self def type(self, key): if key in self.valid: return type(self.valid[key]) else: return None def keys(self): return set([k for k in self.desc]) def required_keys(self): return self.required def valid_keys(self): return self.valid def substitute_keys(self): return self.substitute def isRequired(self, key): return key in self.required def getDescription(self, key): return self.desc[key] ## # Specify a group name for the keys listed # @param group The name of the group to create or append # @param prop_list The list of property names (keys) to add to the group def addParamsToGroup(self, group, prop_list): # Check that the group is a string if not isinstance(group, str): print('ERROR: The supplied group name must be a string') return # Check that the prop_list is a list if not isinstance(prop_list, list): print('ERROR: The supplied properties must be supplied as a list') return # Create the storage for the group if it doesn't exist if group not in self.group: self.group[group] = [] # Append the list self.group[group] += prop_list ## # Extract the parameters names (keys) from a group # @param group The name of the group to extract keys from # @return The list of keys for the given group def groupKeys(self, group): return self.group[group] ## # Apply common parameters to parameters for this object # @param common The common InputParameters object to apply to these parameters def applyParams(self, common): if not isinstance(common, InputParameters): print('ERROR: Supplied "common" variable must of of type InputParameters') return # Loop through the valid parameters in the common parameters, # if they are not valid in this set, then apply them for common_key in common.valid_keys(): if not self.isValid(common_key): self[common_key] = common[common_key] def printParams(self): for k in self.desc: value = '' if k in self.valid: value = self.valid[k] print(k.ljust(20), value) print(' '.ljust(20), self.desc[k])
harterj/moose
python/FactorySystem/InputParameters.py
Python
lgpl-2.1
4,973
[ "MOOSE" ]
0a14a6890090e016fdeb80b3ccbc3cfad51ea1f86179ed3748d72b56c309ca4f
# Copyright (C) 2010-2019 The ESPResSo project # # This file is part of ESPResSo. # # ESPResSo is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later version. # # ESPResSo is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # # You should have received a copy of the GNU General Public License # along with this program. If not, see <http://www.gnu.org/licenses/>. """ Visualize a simulation with a pool of particles with various charges, LJ parameters and masses. """ import espressomd import espressomd.electrostatics import espressomd.visualization_opengl import numpy as np required_features = ["P3M", "LENNARD_JONES", "MASS"] espressomd.assert_features(required_features) box = [40, 40, 40] system = espressomd.System(box_l=box) system.cell_system.set_regular_decomposition(use_verlet_lists=True) visualizer = espressomd.visualization_opengl.openGLLive( system, background_color=[1, 1, 1], drag_enabled=True, drag_force=10) # TIMESTEP time_step_fs = 1.0 system.time_step = time_step_fs * 1.0e-2 system.cell_system.skin = 1.2 # TEMPERATURE SI_temperature = 400.0 kb_kjmol = 0.0083145 temperature = SI_temperature * kb_kjmol # COULOMB PREFACTOR (elementary charge)^2 / (4*pi*epsilon) in Angstrom*kJ/mol epsilon_r = 4.0 # dimensionless epsilon_0 = 8.8541878128e-12 # units of [C^2/J/m] q_e = 1.602176634e-19 # units of [C] avogadro = 6.022e23 # units of [mol] prefactor = q_e**2 / (4 * np.pi * epsilon_r * epsilon_0) # units of [J.m] # convert energies to kJ/mol, with distances in Angstroms coulomb_prefactor = prefactor * avogadro / 1000 * 1e10 # FORCE FIELDS # distances in Angstroms, epsilons in kBT, masses in g/mol species = ["Cl", "Na", "Colloid", "Solvent"] types = {"Cl": 0, "Na": 1, "Colloid": 2, "Solvent": 3} charges = {"Cl": -1.0, "Na": 1.0, "Colloid": -3.0, "Solvent": 0.0} lj_sigmas = {"Cl": 3.85, "Na": 2.52, "Colloid": 10.0, "Solvent": 1.5} lj_epsilons = {"Cl": 192.45, "Na": 17.44, "Colloid": 100.0, "Solvent": 50.0} lj_cuts = {"Cl": 2.0 * lj_sigmas["Cl"], "Na": 2.0 * lj_sigmas["Na"], "Colloid": 1.5 * lj_sigmas["Colloid"], "Solvent": 2.0 * lj_sigmas["Solvent"]} masses = {"Cl": 35.453, "Na": 22.99, "Colloid": 300, "Solvent": 18.0} n_ionpairs = 50 for i in range(n_ionpairs): for t in ["Na", "Cl"]: system.part.add(pos=box * np.random.random(3), q=charges[t], type=types[t], mass=masses[t]) n_colloids = 30 t = "Colloid" t_co = "Na" for i in range(n_colloids): system.part.add(pos=box * np.random.random(3), q=charges[t], type=types[t], mass=masses[t]) for i in range(int(abs(charges[t]))): system.part.add(pos=box * np.random.random(3), q=charges[t_co], type=types[t_co], mass=masses[t_co]) n_solvents = 800 t = "Solvent" for i in range(n_solvents): system.part.add(pos=box * np.random.random(3), q=charges[t], type=types[t], mass=masses[t]) def combination_rule_epsilon(rule, eps1, eps2): if rule == "Lorentz": return (eps1 * eps2)**0.5 else: return ValueError("No combination rule defined") def combination_rule_sigma(rule, sig1, sig2): if rule == "Berthelot": return (sig1 + sig2) * 0.5 else: return ValueError("No combination rule defined") # Lennard-Jones interactions parameters for i in range(len(species)): for j in range(i, len(species)): s = [species[i], species[j]] lj_sig = combination_rule_sigma( "Berthelot", lj_sigmas[s[0]], lj_sigmas[s[1]]) lj_cut = combination_rule_sigma( "Berthelot", lj_cuts[s[0]], lj_cuts[s[1]]) lj_eps = combination_rule_epsilon( "Lorentz", lj_epsilons[s[0]], lj_epsilons[s[1]]) system.non_bonded_inter[types[s[0]], types[s[1]]].lennard_jones.set_params( epsilon=lj_eps, sigma=lj_sig, cutoff=lj_cut, shift="auto") energy = system.analysis.energy() print(f"Before Minimization: E_total = {energy['total']:.2e}") system.integrator.set_steepest_descent(f_max=1000, gamma=30.0, max_displacement=0.01) system.integrator.run(1000) system.integrator.set_vv() energy = system.analysis.energy() print(f"After Minimization: E_total = {energy['total']:.2e}") print("Tune p3m") p3m = espressomd.electrostatics.P3M(prefactor=coulomb_prefactor, accuracy=1e-1) system.actors.add(p3m) system.thermostat.set_langevin(kT=temperature, gamma=2.0, seed=42) visualizer.run(1)
espressomd/espresso
samples/visualization_charged.py
Python
gpl-3.0
4,827
[ "Avogadro", "ESPResSo" ]
a945d4a79a85202bc3456e06676abfa320b2bfb4be0dcde636f626c43f26da4f
## # Copyright 2013 Ghent University # # This file is part of EasyBuild, # originally created by the HPC team of Ghent University (http://ugent.be/hpc/en), # with support of Ghent University (http://ugent.be/hpc), # the Flemish Supercomputer Centre (VSC) (https://vscentrum.be/nl/en), # the Hercules foundation (http://www.herculesstichting.be/in_English) # and the Department of Economy, Science and Innovation (EWI) (http://www.ewi-vlaanderen.be/en). # # http://github.com/hpcugent/easybuild # # EasyBuild is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation v2. # # EasyBuild is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # # You should have received a copy of the GNU General Public License # along with EasyBuild. If not, see <http://www.gnu.org/licenses/>. ## """ EasyBuild support for building and installing netcdf4-python, implemented as an easyblock. @author: Kenneth Hoste (Ghent University) """ import os import easybuild.tools.environment as env from easybuild.easyblocks.generic.pythonpackage import PythonPackage from easybuild.tools.modules import get_software_root class EB_netcdf4_minus_python(PythonPackage): """Support for building and installing netcdf4-python""" def __init__(self, *args, **kwargs): """Custom constructor for netcdf4-python.""" super(EB_netcdf4_minus_python, self).__init__(*args, **kwargs) self.options['modulename'] = 'netCDF4' def configure_step(self): """ Configure and Test if python module is loaded """ hdf5 = get_software_root('HDF5') if hdf5: env.setvar('HDF5_DIR', hdf5) szip = get_software_root('Szip') if szip: env.setvar('SZIP_DIR', szip) netcdf = get_software_root('netCDF') if netcdf: env.setvar('NETCDF4_DIR', netcdf) super(EB_netcdf4_minus_python, self).configure_step() def test_step(self): """Run netcdf4-python tests.""" self.testinstall = True cwd = os.getcwd() # ignoring test know to fail tst_dap.py tst_diskless.py self.testcmd = "cd %s/test && mv tst_dap.py notst_dap.py && mv tst_diskless.py notst_diskless.py && python run_all.py && cd %s" % (self.cfg['start_dir'], cwd) super(EB_netcdf4_minus_python, self).test_step() def sanity_check_step(self): """Custom sanity check for netcdf4-python""" custom_paths = { 'files': ['bin/nc3tonc4', 'bin/nc4tonc3', 'bin/ncinfo'], 'dirs': [os.path.join(self.pylibdir, 'netCDF4-1.1.8-py2.7-linux-x86_64.egg')], } return super(EB_netcdf4_minus_python, self).sanity_check_step(custom_paths=custom_paths)
eth-cscs/production
easybuild/easyblocks/netcdf4_python.py
Python
gpl-3.0
2,978
[ "NetCDF" ]
345174de07b336466e114d8fb94e758415d818184f54737c846daadfdd87849c
# -*- coding: utf-8 -*- # vim: autoindent shiftwidth=4 expandtab textwidth=120 tabstop=4 softtabstop=4 ############################################################################### # OpenLP - Open Source Lyrics Projection # # --------------------------------------------------------------------------- # # Copyright (c) 2008-2013 Raoul Snyman # # Portions copyright (c) 2008-2013 Tim Bentley, Gerald Britton, Jonathan # # Corwin, Samuel Findlay, Michael Gorven, Scott Guerrieri, Matthias Hub, # # Meinert Jordan, Armin Köhler, Erik Lundin, Edwin Lunando, Brian T. Meyer. # # Joshua Miller, Stevan Pettit, Andreas Preikschat, Mattias Põldaru, # # Christian Richter, Philip Ridout, Simon Scudder, Jeffrey Smith, # # Maikel Stuivenberg, Martin Thompson, Jon Tibble, Dave Warnock, # # Frode Woldsund, Martin Zibricky, Patrick Zimmermann # # --------------------------------------------------------------------------- # # This program is free software; you can redistribute it and/or modify it # # under the terms of the GNU General Public License as published by the Free # # Software Foundation; version 2 of the License. # # # # This program is distributed in the hope that it will be useful, but WITHOUT # # ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or # # FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for # # more details. # # # # You should have received a copy of the GNU General Public License along # # with this program; if not, write to the Free Software Foundation, Inc., 59 # # Temple Place, Suite 330, Boston, MA 02111-1307 USA # ############################################################################### """ The :mod:`http` module enables OpenLP to retrieve scripture from bible websites. """ import os import logging import re import socket import urllib.request, urllib.parse, urllib.error from html.parser import HTMLParseError from bs4 import BeautifulSoup, NavigableString, Tag from openlp.core.lib import Registry, translate from openlp.core.lib.ui import critical_error_message_box from openlp.core.utils import get_web_page from openlp.plugins.bibles.lib import SearchResults from openlp.plugins.bibles.lib.db import BibleDB, BiblesResourcesDB, Book CLEANER_REGEX = re.compile(r'&nbsp;|<br />|\'\+\'') FIX_PUNKCTUATION_REGEX = re.compile(r'[ ]+([.,;])') REDUCE_SPACES_REGEX = re.compile(r'[ ]{2,}') UGLY_CHARS = { '\u2014': ' - ', '\u2018': '\'', '\u2019': '\'', '\u201c': '"', '\u201d': '"', '&nbsp;': ' ' } VERSE_NUMBER_REGEX = re.compile(r'v(\d{1,2})(\d{3})(\d{3}) verse.*') log = logging.getLogger(__name__) class BGExtract(object): """ Extract verses from BibleGateway """ def __init__(self, proxy_url=None): log.debug('BGExtract.init("%s")', proxy_url) self.proxy_url = proxy_url socket.setdefaulttimeout(30) def _remove_elements(self, parent, tag, class_=None): """ Remove a particular element from the BeautifulSoup tree. ``parent`` The element from which items need to be removed. ``tag`` A string of the tab type, e.g. "div" ``class_`` An HTML class attribute for further qualification. """ if class_: all_tags = parent.find_all(tag, class_) else: all_tags = parent.find_all(tag) for element in all_tags: element.extract() def _extract_verse(self, tag): """ Extract a verse (or part of a verse) from a tag. ``tag`` The BeautifulSoup Tag element with the stuff we want. """ if isinstance(tag, NavigableString): return None, str(tag) elif tag.get('class')[0] == "versenum" or tag.get('class')[0] == 'versenum mid-line': verse = str(tag.string).replace('[', '').replace(']', '').strip() return verse, None elif tag.get('class')[0] == 'chapternum': verse = '1' return verse, None else: verse = None text = '' for child in tag.contents: c_verse, c_text = self._extract_verse(child) if c_verse: verse = c_verse if text and c_text: text += c_text elif c_text is not None: text = c_text return verse, text def _clean_soup(self, tag): """ Remove all the rubbish from the HTML page. ``tag`` The base tag within which we want to remove stuff. """ self._remove_elements(tag, 'sup', 'crossreference') self._remove_elements(tag, 'sup', 'footnote') self._remove_elements(tag, 'div', 'footnotes') self._remove_elements(tag, 'div', 'crossrefs') self._remove_elements(tag, 'h3') self._remove_elements(tag, 'h4') self._remove_elements(tag, 'h5') def _extract_verses(self, tags): """ Extract all the verses from a pre-prepared list of HTML tags. ``tags`` A list of BeautifulSoup Tag elements. """ verses = [] tags = tags[::-1] current_text = '' for tag in tags: verse = None text = '' for child in tag.contents: c_verse, c_text = self._extract_verse(child) if c_verse: verse = c_verse if text and c_text: text += c_text elif c_text is not None: text = c_text if not verse: current_text = text + ' ' + current_text else: text += ' ' + current_text current_text = '' if text: for old, new in UGLY_CHARS.items(): text = text.replace(old, new) text = ' '.join(text.split()) if verse and text: verse = verse.strip() try: verse = int(verse) except ValueError: verse_parts = verse.split('-') if len(verse_parts) > 1: verse = int(verse_parts[0]) except TypeError: log.warn('Illegal verse number: %s', str(verse)) verses.append((verse, text)) verse_list = {} for verse, text in verses[::-1]: verse_list[verse] = text return verse_list def _extract_verses_old(self, div): """ Use the old style of parsing for those Bibles on BG who mysteriously have not been migrated to the new (still broken) HTML. ``div`` The parent div. """ verse_list = {} # Cater for inconsistent mark up in the first verse of a chapter. first_verse = div.find('versenum') if first_verse and first_verse.contents: verse_list[1] = str(first_verse.contents[0]) for verse in div('sup', 'versenum'): raw_verse_num = verse.next_element clean_verse_num = 0 # Not all verses exist in all translations and may or may not be represented by a verse number. If they are # not fine, if they are it will probably be in a format that breaks int(). We will then have no idea what # garbage may be sucked in to the verse text so if we do not get a clean int() then ignore the verse # completely. try: clean_verse_num = int(str(raw_verse_num)) except ValueError: verse_parts = str(raw_verse_num).split('-') if len(verse_parts) > 1: clean_verse_num = int(verse_parts[0]) except TypeError: log.warn('Illegal verse number: %s', str(raw_verse_num)) if clean_verse_num: verse_text = raw_verse_num.next_element part = raw_verse_num.next_element.next_element while not (isinstance(part, Tag) and part.get('class')[0] == 'versenum'): # While we are still in the same verse grab all the text. if isinstance(part, NavigableString): verse_text += part if isinstance(part.next_element, Tag) and part.next_element.name == 'div': # Run out of verses so stop. break part = part.next_element verse_list[clean_verse_num] = str(verse_text) return verse_list def get_bible_chapter(self, version, book_name, chapter): """ Access and decode Bibles via the BibleGateway website. ``version`` The version of the Bible like 31 for New International version. ``book_name`` Name of the Book. ``chapter`` Chapter number. """ log.debug('BGExtract.get_bible_chapter("%s", "%s", "%s")', version, book_name, chapter) url_book_name = urllib.parse.quote(book_name.encode("utf-8")) url_params = 'search=%s+%s&version=%s' % (url_book_name, chapter, version) soup = get_soup_for_bible_ref( 'http://www.biblegateway.com/passage/?%s' % url_params, pre_parse_regex=r'<meta name.*?/>', pre_parse_substitute='') if not soup: return None div = soup.find('div', 'result-text-style-normal') self._clean_soup(div) span_list = div.find_all('span', 'text') log.debug('Span list: %s', span_list) if not span_list: # If we don't get any spans then we must have the old HTML format verse_list = self._extract_verses_old(div) else: verse_list = self._extract_verses(span_list) if not verse_list: log.debug('No content found in the BibleGateway response.') send_error_message('parse') return None return SearchResults(book_name, chapter, verse_list) def get_books_from_http(self, version): """ Load a list of all books a Bible contaions from BibleGateway website. ``version`` The version of the Bible like NIV for New International Version """ log.debug('BGExtract.get_books_from_http("%s")', version) url_params = urllib.parse.urlencode({'action': 'getVersionInfo', 'vid': '%s' % version}) reference_url = 'http://www.biblegateway.com/versions/?%s#books' % url_params page = get_web_page(reference_url) if not page: send_error_message('download') return None page_source = page.read() try: page_source = str(page_source, 'utf8') except UnicodeDecodeError: page_source = str(page_source, 'cp1251') try: soup = BeautifulSoup(page_source) except HTMLParseError: log.error('BeautifulSoup could not parse the Bible page.') send_error_message('parse') return None if not soup: send_error_message('parse') return None self.application.process_events() content = soup.find('table', 'infotable') if content: content = content.find_all('tr') if not content: log.error('No books found in the Biblegateway response.') send_error_message('parse') return None books = [] for book in content: book = book.find('td') if book: books.append(book.contents[0]) return books def _get_application(self): """ Adds the openlp to the class dynamically. Windows needs to access the application in a dynamic manner. """ if os.name == 'nt': return Registry().get('application') else: if not hasattr(self, '_application'): self._application = Registry().get('application') return self._application application = property(_get_application) class BSExtract(object): """ Extract verses from Bibleserver.com """ def __init__(self, proxy_url=None): log.debug('BSExtract.init("%s")', proxy_url) self.proxy_url = proxy_url socket.setdefaulttimeout(30) def get_bible_chapter(self, version, book_name, chapter): """ Access and decode bibles via Bibleserver mobile website ``version`` The version of the bible like NIV for New International Version ``book_name`` Text name of bible book e.g. Genesis, 1. John, 1John or Offenbarung ``chapter`` Chapter number """ log.debug('BSExtract.get_bible_chapter("%s", "%s", "%s")', version, book_name, chapter) url_version = urllib.parse.quote(version.encode("utf-8")) url_book_name = urllib.parse.quote(book_name.encode("utf-8")) chapter_url = 'http://m.bibleserver.com/text/%s/%s%d' % (url_version, url_book_name, chapter) header = ('Accept-Language', 'en') soup = get_soup_for_bible_ref(chapter_url, header) if not soup: return None self.application.process_events() content = soup.find('div', 'content') if not content: log.error('No verses found in the Bibleserver response.') send_error_message('parse') return None content = content.find('div').find_all('div') verses = {} for verse in content: self.application.process_events() versenumber = int(VERSE_NUMBER_REGEX.sub(r'\3', ' '.join(verse['class']))) verses[versenumber] = verse.contents[1].rstrip('\n') return SearchResults(book_name, chapter, verses) def get_books_from_http(self, version): """ Load a list of all books a Bible contains from Bibleserver mobile website. ``version`` The version of the Bible like NIV for New International Version """ log.debug('BSExtract.get_books_from_http("%s")', version) url_version = urllib.parse.quote(version.encode("utf-8")) chapter_url = 'http://m.bibleserver.com/overlay/selectBook?translation=%s' % (url_version) soup = get_soup_for_bible_ref(chapter_url) if not soup: return None content = soup.find('ul') if not content: log.error('No books found in the Bibleserver response.') send_error_message('parse') return None content = content.find_all('li') return [book.contents[0].contents[0] for book in content] def _get_application(self): """ Adds the openlp to the class dynamically. Windows needs to access the application in a dynamic manner. """ if os.name == 'nt': return Registry().get('application') else: if not hasattr(self, '_application'): self._application = Registry().get('application') return self._application application = property(_get_application) class CWExtract(object): """ Extract verses from CrossWalk/BibleStudyTools """ def __init__(self, proxy_url=None): log.debug('CWExtract.init("%s")', proxy_url) self.proxy_url = proxy_url socket.setdefaulttimeout(30) def get_bible_chapter(self, version, book_name, chapter): """ Access and decode bibles via the Crosswalk website ``version`` The version of the Bible like niv for New International Version ``book_name`` Text name of in english e.g. 'gen' for Genesis ``chapter`` Chapter number """ log.debug('CWExtract.get_bible_chapter("%s", "%s", "%s")', version, book_name, chapter) url_book_name = book_name.replace(' ', '-') url_book_name = url_book_name.lower() url_book_name = urllib.parse.quote(url_book_name.encode("utf-8")) chapter_url = 'http://www.biblestudytools.com/%s/%s/%s.html' % (version, url_book_name, chapter) soup = get_soup_for_bible_ref(chapter_url) if not soup: return None self.application.process_events() html_verses = soup.find_all('span', 'versetext') if not html_verses: log.error('No verses found in the CrossWalk response.') send_error_message('parse') return None verses = {} for verse in html_verses: self.application.process_events() verse_number = int(verse.contents[0].contents[0]) verse_text = '' for part in verse.contents: self.application.process_events() if isinstance(part, NavigableString): verse_text += part elif part and part.attrMap and \ (part.attrMap['class'] == 'WordsOfChrist' or part.attrMap['class'] == 'strongs'): for subpart in part.contents: self.application.process_events() if isinstance(subpart, NavigableString): verse_text += subpart elif subpart and subpart.attrMap and subpart.attrMap['class'] == 'strongs': for subsub in subpart.contents: self.application.process_events() if isinstance(subsub, NavigableString): verse_text += subsub self.application.process_events() # Fix up leading and trailing spaces, multiple spaces, and spaces between text and , and . verse_text = verse_text.strip('\n\r\t ') verse_text = REDUCE_SPACES_REGEX.sub(' ', verse_text) verse_text = FIX_PUNKCTUATION_REGEX.sub(r'\1', verse_text) verses[verse_number] = verse_text return SearchResults(book_name, chapter, verses) def get_books_from_http(self, version): """ Load a list of all books a Bible contain from the Crosswalk website. ``version`` The version of the bible like NIV for New International Version """ log.debug('CWExtract.get_books_from_http("%s")', version) chapter_url = 'http://www.biblestudytools.com/%s/' % (version) soup = get_soup_for_bible_ref(chapter_url) if not soup: return None content = soup.find('div', {'class': 'Body'}) content = content.find('ul', {'class': 'parent'}) if not content: log.error('No books found in the Crosswalk response.') send_error_message('parse') return None content = content.find_all('li') books = [] for book in content: book = book.find('a') books.append(book.contents[0]) return books def _get_application(self): """ Adds the openlp to the class dynamically. Windows needs to access the application in a dynamic manner. """ if os.name == 'nt': return Registry().get('application') else: if not hasattr(self, '_application'): self._application = Registry().get('application') return self._application application = property(_get_application) class HTTPBible(BibleDB): log.info('%s HTTPBible loaded', __name__) def __init__(self, parent, **kwargs): """ Finds all the bibles defined for the system. Creates an Interface Object for each bible containing connection information. Throws Exception if no Bibles are found. Init confirms the bible exists and stores the database path. """ BibleDB.__init__(self, parent, **kwargs) self.download_source = kwargs['download_source'] self.download_name = kwargs['download_name'] # TODO: Clean up proxy stuff. We probably want one global proxy per connection type (HTTP and HTTPS) at most. self.proxy_server = None self.proxy_username = None self.proxy_password = None if 'path' in kwargs: self.path = kwargs['path'] if 'proxy_server' in kwargs: self.proxy_server = kwargs['proxy_server'] if 'proxy_username' in kwargs: self.proxy_username = kwargs['proxy_username'] if 'proxy_password' in kwargs: self.proxy_password = kwargs['proxy_password'] def do_import(self, bible_name=None): """ Run the import. This method overrides the parent class method. Returns ``True`` on success, ``False`` on failure. """ self.wizard.progress_bar.setMaximum(68) self.wizard.increment_progress_bar(translate('BiblesPlugin.HTTPBible', 'Registering Bible and loading books...')) self.save_meta('download_source', self.download_source) self.save_meta('download_name', self.download_name) if self.proxy_server: self.save_meta('proxy_server', self.proxy_server) if self.proxy_username: # Store the proxy userid. self.save_meta('proxy_username', self.proxy_username) if self.proxy_password: # Store the proxy password. self.save_meta('proxy_password', self.proxy_password) if self.download_source.lower() == 'crosswalk': handler = CWExtract(self.proxy_server) elif self.download_source.lower() == 'biblegateway': handler = BGExtract(self.proxy_server) elif self.download_source.lower() == 'bibleserver': handler = BSExtract(self.proxy_server) books = handler.get_books_from_http(self.download_name) if not books: log.exception('Importing books from %s - download name: "%s" '\ 'failed' % (self.download_source, self.download_name)) return False self.wizard.progress_bar.setMaximum(len(books) + 2) self.wizard.increment_progress_bar(translate( 'BiblesPlugin.HTTPBible', 'Registering Language...')) bible = BiblesResourcesDB.get_webbible(self.download_name, self.download_source.lower()) if bible['language_id']: language_id = bible['language_id'] self.save_meta('language_id', language_id) else: language_id = self.get_language(bible_name) if not language_id: log.exception('Importing books from %s failed' % self.filename) return False for book in books: if self.stop_import_flag: break self.wizard.increment_progress_bar(translate( 'BiblesPlugin.HTTPBible', 'Importing %s...', 'Importing <book name>...') % book) book_ref_id = self.get_book_ref_id_by_name(book, len(books), language_id) if not book_ref_id: log.exception('Importing books from %s - download name: "%s" '\ 'failed' % (self.download_source, self.download_name)) return False book_details = BiblesResourcesDB.get_book_by_id(book_ref_id) log.debug('Book details: Name:%s; id:%s; testament_id:%s', book, book_ref_id, book_details['testament_id']) self.create_book(book, book_ref_id, book_details['testament_id']) if self.stop_import_flag: return False else: return True def get_verses(self, reference_list, show_error=True): """ A reimplementation of the ``BibleDB.get_verses`` method, this one is specifically for web Bibles. It first checks to see if the particular chapter exists in the DB, and if not it pulls it from the web. If the chapter DOES exist, it simply pulls the verses from the DB using the ancestor method. ``reference_list`` This is the list of references the media manager item wants. It is a list of tuples, with the following format:: (book_reference_id, chapter, start_verse, end_verse) Therefore, when you are looking for multiple items, simply break them up into references like this, bundle them into a list. This function then runs through the list, and returns an amalgamated list of ``Verse`` objects. For example:: [(u'35', 1, 1, 1), (u'35', 2, 2, 3)] """ log.debug('HTTPBible.get_verses("%s")', reference_list) for reference in reference_list: book_id = reference[0] db_book = self.get_book_by_book_ref_id(book_id) if not db_book: if show_error: critical_error_message_box( translate('BiblesPlugin', 'No Book Found'), translate('BiblesPlugin', 'No matching book could be found in this Bible. Check that you have ' 'spelled the name of the book correctly.')) return [] book = db_book.name if BibleDB.get_verse_count(self, book_id, reference[1]) == 0: self.application.set_busy_cursor() search_results = self.get_chapter(book, reference[1]) if search_results and search_results.has_verse_list(): ## We have found a book of the bible lets check to see ## if it was there. By reusing the returned book name ## we get a correct book. For example it is possible ## to request ac and get Acts back. book_name = search_results.book self.application.process_events() # Check to see if book/chapter exists. db_book = self.get_book(book_name) self.create_chapter(db_book.id, search_results.chapter, search_results.verse_list) self.application.process_events() self.application.set_normal_cursor() self.application.process_events() return BibleDB.get_verses(self, reference_list, show_error) def get_chapter(self, book, chapter): """ Receive the request and call the relevant handler methods. """ log.debug('HTTPBible.get_chapter("%s", "%s")', book, chapter) log.debug('source = %s', self.download_source) if self.download_source.lower() == 'crosswalk': handler = CWExtract(self.proxy_server) elif self.download_source.lower() == 'biblegateway': handler = BGExtract(self.proxy_server) elif self.download_source.lower() == 'bibleserver': handler = BSExtract(self.proxy_server) return handler.get_bible_chapter(self.download_name, book, chapter) def get_books(self): """ Return the list of books. """ log.debug('HTTPBible.get_books("%s")', Book.name) return self.get_all_objects(Book, order_by_ref=Book.id) def get_chapter_count(self, book): """ Return the number of chapters in a particular book. ``book`` The book object to get the chapter count for. """ log.debug('HTTPBible.get_chapter_count("%s")', book.name) return BiblesResourcesDB.get_chapter_count(book.book_reference_id) def get_verse_count(self, book_id, chapter): """ Return the number of verses for the specified chapter and book. ``book`` The name of the book. ``chapter`` The chapter whose verses are being counted. """ log.debug('HTTPBible.get_verse_count("%s", %s)', book_id, chapter) return BiblesResourcesDB.get_verse_count(book_id, chapter) def _get_application(self): """ Adds the openlp to the class dynamically. Windows needs to access the application in a dynamic manner. """ if os.name == 'nt': return Registry().get('application') else: if not hasattr(self, '_application'): self._application = Registry().get('application') return self._application application = property(_get_application) def get_soup_for_bible_ref(reference_url, header=None, pre_parse_regex=None, pre_parse_substitute=None): """ Gets a webpage and returns a parsed and optionally cleaned soup or None. ``reference_url`` The URL to obtain the soup from. ``header`` An optional HTTP header to pass to the bible web server. ``pre_parse_regex`` A regular expression to run on the webpage. Allows manipulation of the webpage before passing to BeautifulSoup for parsing. ``pre_parse_substitute`` The text to replace any matches to the regular expression with. """ if not reference_url: return None page = get_web_page(reference_url, header, True) if not page: send_error_message('download') return None page_source = page.read() if pre_parse_regex and pre_parse_substitute is not None: page_source = re.sub(pre_parse_regex, pre_parse_substitute, page_source.decode()) soup = None try: soup = BeautifulSoup(page_source) CLEANER_REGEX.sub('', str(soup)) except HTMLParseError: log.exception('BeautifulSoup could not parse the bible page.') if not soup: send_error_message('parse') return None Registry().get('application').process_events() return soup def send_error_message(error_type): """ Send a standard error message informing the user of an issue. ``error_type`` The type of error that occured for the issue. """ if error_type == 'download': critical_error_message_box( translate('BiblesPlugin.HTTPBible', 'Download Error'), translate('BiblesPlugin.HTTPBible', 'There was a problem downloading your verse selection. Please check ' 'your Internet connection, and if this error continues to occur please consider reporting a bug.')) elif error_type == 'parse': critical_error_message_box( translate('BiblesPlugin.HTTPBible', 'Parse Error'), translate('BiblesPlugin.HTTPBible', 'There was a problem extracting your verse selection. If this error ' 'continues to occur please consider reporting a bug.'))
marmyshev/bug_1117098
openlp/plugins/bibles/lib/http.py
Python
gpl-2.0
31,062
[ "Brian" ]
a93feca0a5432b01149753a4e8449dee8cd4944f82b2b0d95ccd7e36a9e29ad6
#!/usr/bin/env python ''' GOAL: - this code contains all of the code to make figures for paper1 REQUIRED MODULES - LCSbase.py ''' ########################### ###### IMPORT MODULES ########################### import LCSbase as lb from matplotlib import pyplot as plt import numpy as np import os from LCScommon_py3 import * from astropy.io import fits from astropy.cosmology import WMAP9 as cosmo import argparse# here is min mass = 9.75 ########################### ##### SET UP ARGPARSE ########################### parser = argparse.ArgumentParser(description ='Run sextractor, scamp, and swarp to determine WCS solution and make mosaics') parser.add_argument('--minmass', dest = 'minmass', default = 9., help = 'minimum stellar mass for sample. default is log10(M*) > 7.9') parser.add_argument('--diskonly', dest = 'diskonly', default = 1, help = 'True/False (enter 1 or 0). normalize by Simard+11 disk size rather than Re for single-component sersic fit. Default is true. ') args = parser.parse_args() ########################### ##### DEFINITIONS ########################### USE_DISK_ONLY = np.bool(np.float(args.diskonly))#True # set to use disk effective radius to normalize 24um size if USE_DISK_ONLY: print('normalizing by radius of disk') minsize_kpc=1.3 # one mips pixel at distance of hercules #minsize_kpc=2*minsize_kpc mstarmin=float(args.minmass) mstarmax=10.8 minmass=mstarmin #log of M* ssfrmin=-12. ssfrmax=-9 spiralcut=0.8 truncation_ratio=0.5 exterior=.68 colors=['k','b','c','g','m','y','r','sienna','0.5'] shapes=['o','*','p','d','s','^','>','<','v'] #colors=['k','b','c','g','m','y','r','sienna','0.5'] truncated=np.array([113107,140175,79360,79394,79551,79545,82185,166185,166687,162832,146659,99508,170903,18236,43796,43817,43821,70634,104038,104181],'i') # figure setup plotsize_single=(6.8,5) plotsize_2panel=(10,5) params = {'backend': 'pdf', 'axes.labelsize': 24, 'font.size': 20, 'legend.fontsize': 12, 'xtick.labelsize': 14, 'ytick.labelsize': 14, #'lines.markeredgecolor' : 'k', #'figure.titlesize': 20, 'mathtext.fontset': 'cm', 'mathtext.rm': 'serif', 'text.usetex': True, 'figure.figsize': plotsize_single} plt.rcParams.update(params) figuredir = '/Users/rfinn/Dropbox/Research/MyPapers/LCSpaper1/submit/resubmit4/' ########################### ##### START OF GALAXIES CLASS ########################### class galaxies(lb.galaxies): def plotsizedvdr(self,plotsingle=1,reonly=1,onlycoma=0,plotHI=0,plotbadfits=0,lowmass=0,himass=0,cluster=None,plothexbin=True,hexbinmax=40,scalepoint=0,clustername=None,blueflag=False,plotmembcut=True,colormin=.2,colormax=1,colorbydensity=False,plotoman=False,masscut=None,BTcut=None): # log10(chabrier) = log10(Salpeter) - .25 (SFR estimate) # log10(chabrier) = log10(diet Salpeter) - 0.1 (Stellar mass estimates) if plotsingle: plt.figure(figsize=(10,6)) ax=plt.gca() plt.subplots_adjust(left=.1,bottom=.15,top=.9,right=.9) plt.ylabel('$ \Delta v/\sigma $',fontsize=26) plt.xlabel('$ \Delta R/R_{200} $',fontsize=26) plt.legend(loc='upper left',numpoints=1) colors=self.sizeratio if colorbydensity: colors=np.log10(self.s.SIGMA_5) colormin=-1.5 colormax=1.5 cbticks=np.arange(colormin,colormax+.1,.1) if USE_DISK_ONLY: clabel=['$R_{24}/R_d$','$R_{iso}(24)/R_{iso}(r)$'] else: clabel=['$R_e(24)/R_e(r)$','$R_{iso}(24)/R_{iso}(r)$'] cmaps=['jet_r','jet_r'] v1=[0.2,0.] v2=[1.2,2] nplot=1 x=(self.s.DR_R200) y=abs(self.dv) flag=self.sampleflag #& self.dvflag if blueflag: flag=self.bluesampleflag & self.dvflag if clustername != None: flag = flag & (self.s.CLUSTER == clustername) if masscut != None: flag = flag & (self.logstellarmass < masscut) if BTcut != None: flag = flag & (self.gim2d.B_T_r < 0.3) if cluster != None: flag = flag & (self.s.CLUSTER == cluster) hexflag=self.dvflag if cluster != None: hexflag = hexflag & (self.s.CLUSTER == cluster) nofitflag = self.sfsampleflag & ~self.sampleflag & self.dvflag nofitflag = self.gim2dflag & (self.gim2d.B_T_r < .2) & self.sfsampleflag & ~self.sampleflag & self.dvflag if cluster != None: nofitflag = nofitflag & (self.s.CLUSTER == cluster) if lowmass: flag = flag & (self.s.CLUSTER_LX < 1.) hexflag = hexflag & (self.s.CLUSTER_LX < 1.) nofitflag = nofitflag & (self.s.CLUSTER_LX < 1.) if himass: flag = flag & (self.s.CLUSTER_LX > 1.) hexflag = hexflag & (self.s.CLUSTER_LX > 1.) nofitflag = nofitflag & (self.s.CLUSTER_LX > 1.) if onlycoma: flag = flag & (self.s.CLUSTER == 'Coma') if plothexbin: sp=plt.hexbin(x[hexflag],y[hexflag],gridsize=(30,20),alpha=.7,extent=(0,5,0,10),cmap='gray_r',vmin=0,vmax=hexbinmax) plt.subplots_adjust(bottom=.15,left=.1,right=.95,top=.95,hspace=.02,wspace=.02) if plotmembcut: xl=np.array([-.2,1,1]) yl=np.array([3,3,-0.1]) plt.plot(xl,yl,'k-',lw=2) elif plotoman: # line to identify infall galaxies from Oman+2013 xl=np.arange(0,2,.1) plt.plot(xl,-4./3.*xl+2,'k-',lw=3) #plt.plot(xl,-3./1.2*xl+3,'k-',lw=3) else: # cut from Jaffe+2011 xl=np.array([0.01,1.2]) yl=np.array([1.5,0]) plt.plot(xl,yl,'k-',lw=2) if reonly: nplot=1 else: nplot=2 if scalepoint: size=(self.ssfrms[flag]+2)*40 else: size=60 for i in range(nplot): if not(reonly): plt.subplot(1,2,nplot) nplot +=1 if plotbadfits: plt.scatter(x[nofitflag],y[nofitflag],marker='x',color='k',s=40,edgecolors='k')#markersize=8,mec='r',mfc='None',label='No Fit') ax=plt.gca() if colorbydensity: sp=plt.scatter(x[flag],y[flag],c=colors[flag],s=size,cmap='jet',vmin=colormin,vmax=colormax,edgecolors=None,lw=0.) else: sp=plt.scatter(x[flag],y[flag],c=colors[flag],s=size,cmap='jet_r',vmin=colormin,vmax=colormax,edgecolors=None,lw=0.) plt.axis([-.1,4.5,-.1,5]) if masscut != None: plt.axis([-.1,4.5,-.1,4]) if i > 0: ax.set_yticklabels(([])) ax.tick_params(axis='both', which='major', labelsize=16) if plotsingle: cb=plt.colorbar(sp,fraction=0.08,label=clabel[i],ticks=cbticks)#cax=axins1,ticks=cbticks[i]) #text(.95,.9,clabel[i],transform=ax.transAxes,horizontalalignment='right',fontsize=20) if plotHI: f=flag & self.HIflag plt.plot(x[f],y[f],'bs',mfc='None',mec='b',lw=2,markersize=20) if not(reonly): ax.text(0,-.1,'$ \Delta R/R_{200} $',fontsize=22,transform=ax.transAxes,horizontalalignment='center') ax.text(-1.3,.5,'$\Delta v/\sigma_v $',fontsize=22,transform=ax.transAxes,rotation=90,verticalalignment='center') if lowmass: figname=homedir+'research/LocalClusters/SamplePlots/sizedvdr-lowLx' elif himass: figname=homedir+'research/LocalClusters/SamplePlots/sizedvdr-hiLx' else: figname=homedir+'research/LocalClusters/SamplePlots/sizedvdr' if plotsingle: if masscut != None: plt.savefig(figuredir+'sizedvdr-lowmass-lowBT.eps') plt.savefig(figuredir+'fig4.pdf') def compare_cluster_exterior(self): plt.figure(figsize=plotsize_single) plt.subplots_adjust(bottom=.15,hspace=.4,top=.95) plt.subplot(2,2,1) self.compare_single((self.logstellarmass),baseflag=(self.sampleflag & ~self.agnflag),plotsingle=False,xlab='$ log_{10}(M_*/M_\odot) $',plotname='stellarmass') plt.legend(loc='upper left') plt.xticks(np.arange(9,12,.5)) plt.xlim(8.9,11.15) #xlim(mstarmin,mstarmax) plt.subplot(2,2,2) self.compare_single(self.gim2d.B_T_r,baseflag=(self.sampleflag & ~self.agnflag),plotsingle=False,xlab='$GIM2D \ B/T $',plotname='BT') plt.xticks(np.arange(0,1.1,.2)) plt.xlim(-.05,.85) plt.subplot(2,2,3) self.compare_single(self.s.ZDIST,baseflag=(self.sampleflag & ~self.agnflag),plotsingle=False,xlab='$ Redshift $',plotname='zdist') plt.xticks(np.arange(0.02,.055,.01)) plt.xlim(.0146,.045) plt.subplot(2,2,4) #self.compare_single(self.s.SERSIC_TH50*self.da,baseflag=(self.sampleflag & ~self.agnflag),plotsingle=False,xlab='$R_e(r) \ (kpc)$',plotname='Rer') self.compare_single(self.gim2d.Rhlr,baseflag=(self.sampleflag & ~self.agnflag),plotsingle=False,xlab='$R_e(r) \ (kpc)$',plotname='Rer') #xticks(arange(2,20,2)) #plt.xlim(2,20) plt.text(-1.5,1,'$Cumulative \ Distribution$',fontsize=22,transform=plt.gca().transAxes,rotation=90,verticalalignment='center') #plt.savefig(homedir+'research/LocalClusters/SamplePlots/cluster_exterior.png') #plt.savefig(homedir+'research/LocalClusters/SamplePlots/cluster_exterior.eps') plt.savefig(figuredir+'fig5.eps') def compare_single(self,var,baseflag=None,plotsingle=True,xlab=None,plotname=None): if baseflag == None: f1 = self.sampleflag & self.membflag & ~self.agnflag f2 = self.sampleflag & ~self.membflag &self.dvflag & ~self.agnflag else: f1=baseflag & self.sampleflag & self.membflag & ~self.agnflag f2=baseflag & self.sampleflag & ~self.membflag & ~self.agnflag xmin=min(var[baseflag]) xmax=max(var[baseflag]) #print 'xmin, xmax = ',xmin,xmax print('KS test comparing members and exterior') (D,p)=ks(var[f1],var[f2]) #t=anderson.anderson_ksamp([var[f1],var[f2]]) #print '%%%%%%%%% ANDERSON %%%%%%%%%%%' #print 'anderson statistic = ',t[0] #print 'critical values = ',t[1] #print 'p-value = ',t[2] if plotsingle: plt.figure()#figsize=(12,6)) plt.title('Member vs. External ('+self.prefix+')') subplots_adjust(bottom=.15,left=.15) print('hey') plt.xlabel(xlab,fontsize=18) #plt.ylabel('$Cumulative \ Distribution $',fontsize=20) plt.legend(loc='lower right') plt.hist(var[f1],bins=len(var[f1]),cumulative=True,histtype='step',normed=True,label='Core',range=(xmin,xmax),color='k') #print var[f2] plt.hist(var[f2],bins=len(var[f2]),cumulative=True,histtype='step',normed=True,label='External',range=(xmin,xmax),color='0.5') ylim(-.05,1.05) ax=gca() text(.9,.25,'$D = %4.2f$'%(D),horizontalalignment='right',transform=ax.transAxes,fontsize=16) text(.9,.1,'$p = %5.4f$'%(p),horizontalalignment='right',transform=ax.transAxes,fontsize=16) return D, p def plotRe24vsRe(self,plotsingle=1,sbcutobs=20.,prefix=None,usemyflag=0,myflag=None,showerr=0,logy=True,fixPA=False, usedr=False,colorflag=True): #print 'hi' if plotsingle: plt.figure(figsize=(10,8)) ax=plt.gca() plt.xlabel('$ R_e(r) \ (arcsec)$',fontsize=20) plt.ylabel('$ R_e(24) \ (arcsec) $',fontsize=20) #legend(loc='upper left',numpoints=1) if usemyflag: flag=myflag else: flag=self.sampleflag & (self.sb_obs < sbcutobs) mflag=flag & self.membflag nfflag = flag & ~self.membflag & self.dvflag ffflag = flag & ~self.membflag & ~self.dvflag print('flag = ',sum(mflag),sum(nfflag),sum(ffflag)) x=(self.gim2d.Rhlr) if USE_DISK_ONLY: x=self.gim2d.Rd if fixPA: y=self.s.fcre1*mipspixelscale myerr=self.s.fcre1err*mipspixelscale else: y=self.s.fcre1*mipspixelscale myerr=self.s.fcre1err*mipspixelscale y=self.s.SUPER_RE1*mipspixelscale*self.DA myerr=self.s.SUPER_RE1ERR*mipspixelscale*self.DA if plotsingle: print('not printing errorbars') else: plt.errorbar(x[flag],y[flag],yerr=myerr[flag],fmt=None,ecolor='k') mstarmin=9.3 mstarmax=11 color=self.logstellarmass cblabel='$log_{10}(M_*/M\odot) $' v1=mstarmin v2=mstarmax colormap=cm.jet if usedr: color=np.log10(sqrt(self.s.DR_R200**2 + self.s.DELTA_V**2)) cblabel='$\Delta r/R_{200}$' cblabel='$log_{10}(\sqrt(\Delta r/R_{200}^2 + \Delta v/\sigma^2)$' v1=-.5 v2=.7 colormap=cm.jet_r if colorflag: plotcolors = ['r','b'] else: plotcolors = ['k','0.5'] plt.plot(x[mflag ],y[mflag],'ko',color=plotcolors[0],markersize=8,mec='k') plt.plot(x[nfflag ],y[nfflag],'ks',color=plotcolors[1],markersize=8,mec='k') plt.plot(x[ffflag ],y[ffflag],'ks',color=plotcolors[1],markersize=8,mec='k') uflag = flag & self.upperlimit print('number of upper limits = ',sum(uflag)) uplimits=np.array(list(zip(ones(sum(uflag)), zeros(sum(uflag))))) plt.errorbar(x[uflag],y[uflag],yerr=uplimits.T, lolims=True, fmt='*',ecolor='k',color='k',markersize=12) if plotsingle: plt.colorbar(sp) self.addlines(logflag=logy) ax=plt.gca() plt.axis([.5,12,-.5,7.3]) def addlines(self,logflag=True): xl=np.arange(0,100,.5) plt.plot(xl,xl,'k-') if logflag: ax=plt.gca() ax.set_yscale('log') ax.set_xscale('log') plt.axis([1,30.,1,30.]) def plotsizehist(self, btcut = None,colorflag=True): figure(figsize=(6,6)) plt.subplots_adjust(left=.15,bottom=.2,hspace=.1) axes=[] plt.subplot(2,1,1) axes.append(plt.gca()) mybins=np.arange(0,2,.15) if btcut == None: flag = self.sampleflag else: flag = self.sampleflag & (self.gim2d.B_T_r < btcut) if colorflag: colors = ['r','b'] else: colors = ['k','k'] flags = [flag & self.membflag & ~self.agnflag,flag & ~self.membflag & ~self.agnflag] labels = ['$Core$','$External$'] for i in range(len(colors)): plt.subplot(2,1,i+1) print('median ratio for ',labels[i],' = ',np.median(self.sizeratio[flags[i]])) hist(self.sizeratio[flags[i]],bins=mybins,histtype='stepfilled',color=colors[i],label=labels[i],lw=1.5,alpha=1)#,normed=True) plt.legend(loc='upper right') plt.axis([0,2,0,22]) if i < 1: plt.xticks(([])) plt.text(-.2,1,'$N_{gal}$',transform=gca().transAxes,verticalalignment='center',rotation=90,fontsize=24) print('comparing cluster and exterior SF galaxies') ks(self.sizeratio[flag & self.membflag & ~self.agnflag],self.sizeratio[flag & ~self.membflag & ~self.agnflag]) plt.xlabel('$ R_{24}/R_d $') if btcut == None: #plt.ylim(0,20) #plt.savefig(homedir+'research/LocalClusters/SamplePlots/sizehistblue.eps') #plt.savefig(homedir+'research/LocalClusters/SamplePlots/sizehistblue.png') plt.savefig(figuredir+'fig11a.eps') else: #plt.ylim(0,15) plt.subplot(2,1,1) plt.title('$ B/T < %2.1f \ Galaxies $'%(btcut),fontsize=20) #plt.savefig(homedir+'research/LocalClusters/SamplePlots/sizehistblueBTcut.eps') #plt.savefig(homedir+'research/LocalClusters/SamplePlots/sizehistblueBTcut.png') plt.savefig(figuredir+'fig11b.eps') def plotsize3panel(self,logyscale=False,use_median=True,equal_pop_bins=True): plt.figure(figsize=(10,10)) plt.subplots_adjust(left=.12,bottom=.1,top=.9,wspace=.02,hspace=.4) nrow=3 ncol=3 flags=[self.sampleflag, self.sampleflag & self.membflag, self.sampleflag & ~self.membflag] flags = flags & (self.s.SIGMA_5 > 0.) x=[self.gim2d.B_T_r,np.log10(self.s.SIGMA_5),self.logstellarmass] xlabels=['$B/T$','$\log_{10}(\Sigma_5 \ (gal/Mpc^2))$','$\log_{10}(M_\star/M_\odot)$'] colors=[self.logstellarmass,self.gim2d.B_T_r,self.gim2d.B_T_r] cblabel=['$\log(M_\star/M_\odot)$','$B/T$','$B/T$'] cbticks=[np.arange(8.5,10.8,.4),np.arange(0,1,.2),np.arange(0,1,.2)] xticklabels=[np.arange(0,1,.2),np.arange(-1.2,2.2,1),np.arange(8.5,11.5,1)] xlims=[(-.05,.9),(-1.1,1.9),(8.3,11.2)] v1 = [8.5,0,0] v2 = [10.8,0.6,0.6] y=self.sizeratio yerror=self.sizeratioERR for i in range(len(x)): allax=[] for j in range(3): plt.subplot(nrow,ncol,3.*i+j+1) plt.errorbar(x[i][flags[j]],y[flags[j]],yerr=yerror[flags[j]],fmt=None,ecolor='.5',markerfacecolor='white',zorder=1,alpha=.5) sp=plt.scatter(x[i][flags[j]],y[flags[j]],c=colors[i][flags[j]],vmin=v1[i],vmax=v2[i],cmap='jet',s=40,label='GALFIT',lw=0,alpha=0.7,zorder=1,edgecolors='k') if j < 3: (rho,p)=spearman_with_errors(x[i][flags[j]],y[flags[j]],yerror[flags[j]]) ax=plt.gca() plt.text(.95,.9,r'$\rho = [%4.2f, %4.2f]$'%(np.percentile(rho,16),np.percentile(rho,84)),horizontalalignment='right',transform=ax.transAxes,fontsize=16) plt.text(.95,.8,'$p = [%5.4f, %5.4f]$'%(np.percentile(p,16),np.percentile(p,84)),horizontalalignment='right',transform=ax.transAxes,fontsize=16) a=plt.gca() #plt.axis(limits) allax.append(a) if j > 0: a.set_yticklabels(([])) if i == 0: if j == 0: plt.title('$All $',fontsize=24) elif j == 1: plt.title('$Core$',fontsize=24) elif j == 2: plt.title('$External$',fontsize=24) if j == 1: plt.xlabel(xlabels[i]) if j == 0: #plt.ylabel('$R_e(24)/Re(r)$') plt.ylabel('$R_{24}/R_d$') xbin,ybin,ybinerr, colorbin = binxycolor(x[i][flags[j]],y[flags[j]],colors[i][flags[j]],nbin=5,erry=True,equal_pop_bins=equal_pop_bins,use_median = use_median) plt.scatter(xbin,ybin,c=colorbin,s=180,vmin=v1[i],vmax=v2[i],cmap='jet',zorder=5,lw=2,edgecolors='k') plt.errorbar(xbin,ybin,ybinerr,fmt=None,ecolor='k',alpha=0.7) if logyscale: a.set_yscale('log') ylim(.08,6) else: ylim(-.1,3.3) yticks((np.arange(0,4,1))) xticks(xticklabels[i]) xlim(xlims[i]) #ylim(-.1,2.8) if j == 2: c = np.polyfit(xbin,ybin,1) print('xbin = ', xbin) print('ybin = ', ybin) #c = np.polyfit(x[i][flags[j]],y[flags[j]],1) xl=np.linspace(min(x[i][flags[j]]),max(x[i][flags[j]]),10) yl = np.polyval(c,xl) plt.plot(xl,yl,'k--',lw=2) plt.subplot(nrow,ncol,3.*i+j) xl=np.linspace(min(x[i][flags[j-1]]),max(x[i][flags[j-1]]),10) yl = np.polyval(c,xl) plt.plot(xl,yl,'k--',lw=2) #print xbin,ybin,colorbin #if i == 2: # #text(0.1,0.9,'$External$',transform=a.transAxes,horizontalalignment='left',fontsize=20) # text(-2.3,1.7,'$R_e(24)/Re(r)$',transform=a.transAxes,rotation=90,horizontalalignment='center',verticalalignment='center',fontsize=26) c=colorbar(ax=allax,fraction=.02,ticks=cbticks[i]) c.ax.text(6,.5,cblabel[i],rotation=-90,verticalalignment='center',fontsize=20) savefig(figuredir+'fig12.pdf') def plotsizestellarmass(self,plotsingle=True,btmax=None,btmin=None,equal_pop_bins=True,use_median=True): if plotsingle: plt.figure(figsize=(7,6)) plt.subplots_adjust(bottom=.15,left=.15) flags = [self.sampleflag & self.membflag,self.sampleflag & ~self.membflag] if btmax != None: flags = flags & (self.gim2d.B_T_r < btmax) if btmin != None: flags = flags & (self.gim2d.B_T_r > btmin) colors = ['r','b'] for i in range(len(flags)): #plot(self.logstellarmass[flags[i]],self.sizeratio[flags[i]],'ro',color=colors[i],alpha=0.5) plot(self.logstellarmass[flags[i]],self.sizeratio[flags[i]],'ro',color=colors[i],alpha=0.5) errorbar(self.logstellarmass[flags[i]],self.sizeratio[flags[i]],self.sizeratioERR[flags[i]],fmt=None,ecolor='0.5',alpha=0.5) flag = flags[i] if btmax != None: flag = flag & (self.logstellarmass > 9.1) & (self.logstellarmass < 10.5) xbin,ybin,ybinerr,colorbin = binxycolor(self.logstellarmass[flag],self.sizeratio[flag],self.gim2d.B_T_r[flag],erry=True,nbin=5,equal_pop_bins=equal_pop_bins,use_median=use_median) #print xbin plot(xbin,ybin,'ro',color=colors[i],markersize=18,mec='k',zorder=5) #scatter(xbin,ybin,s=200, c=colorbin,marker='^',vmin=0,vmax=0.6,cmap='jet') errorbar(xbin,ybin,ybinerr,fmt=None,ecolor='k',alpha=0.7) #colorbar(label='$B/T$') xlabel('$ \log_{10}(M_\star /M_\odot) $',fontsize=22) ylabel('$ R_{24}/R_d $',fontsize=22) #rho,p=spearman(self.logstellarmass[flag],self.sizeratio[flag]) #ax=plt.gca() #plt.text(.95,.9,r'$\rho = %4.2f$'%(rho),horizontalalignment='right',transform=ax.transAxes,fontsize=18) #plt.text(.95,.8,'$p = %5.4f$'%(p),horizontalalignment='right',transform=ax.transAxes,fontsize=18) plt.legend(['$Core$','$<Core>$','$External$','$<External>$'],numpoints=1) s='' if btmax != None: s = '$B/T \ < \ %.2f$'%(btmax) if btmin != None: s = '$B/T \ > \ %.2f$'%(btmin) if (btmax != None) & (btmin != None): s = '$%.2f < B/T \ < \ %.2f$'%(btmin,btmax) plt.title(s,fontsize=20) plt.axis([8.6,10.9,-.1,2.9]) plt.savefig(figuredir+'fig13.pdf') def plotsizeHIfrac(self,sbcutobs=20.5,isoflag=0,r90flag=0,color_BT=False): plt.figure(figsize=plotsize_single) plt.subplots_adjust(bottom=.2,left=.15) plt.clf() flag = self.sampleflag & (self.HIflag) #& self.dvflag #& ~self.agnflag print('number of galaxies = ',sum(flag)) y=(self.sizeratio[flag & self.membflag]) x=np.log10(self.s.HIMASS[flag & self.membflag])-self.logstellarmass[flag & self.membflag] print('spearman for cluster galaxies only') t = spearman(x,y) if color_BT: pointcolor = self.gim2d.B_T_r v1=0 v2=0.6 else: pointcolor = self.logstellarmass v1=mstarmin v2=mstarmax #color=self.logstellarmass[flag] color=pointcolor[flag & self.membflag] sp=scatter(x,y,s=90,c=color,vmin=v1,vmax=v2,label='$Core$',cmap='jet',edgecolors='k') y=(self.sizeratio[flag & ~self.membflag]) x=np.log10(self.s.HIMASS[flag & ~self.membflag])-self.logstellarmass[flag & ~self.membflag] print('spearman for exterior galaxies only') t = spearman(x,y) color=pointcolor[flag & ~self.membflag] sp=scatter(x,y,s=90,c=color,vmin=v1,vmax=v2,marker='s',label='$External$',cmap='jet',edgecolor='k') y=(self.sizeratio[flag]) x=np.log10(self.s.HIMASS[flag])-self.logstellarmass[flag] plt.legend(loc='upper left',scatterpoints=1) errorbar(x,y,self.sizeratioERR[flag],fmt=None,ecolor='.5',zorder=100) rho,p=spearman(x,y) ax=plt.gca() plt.text(.95,.9,r'$\rho = %4.2f$'%(rho),horizontalalignment='right',transform=ax.transAxes,fontsize=16) plt.text(.95,.8,'$p = %5.4f$'%(p),horizontalalignment='right',transform=ax.transAxes,fontsize=16) print('spearman for log(M*) < 10.41') rho,p=spearman(x[color < 10.41],y[color<10.41]) cb = plt.colorbar(sp,fraction=.08,ticks=np.arange(8.5,11,.5)) cb.ax.text(4.,.5,'$\log(M_\star/M_\odot)$',rotation=-90,verticalalignment='center',fontsize=20) #plt.ylabel(r'$ R_e(24)/R_e(r)$') plt.ylabel('$R_{24}/R_d$') plt.xlabel(r'$ \log_{10}(M_{HI}/M_*)$') ax.tick_params(axis='both', which='major', labelsize=16) plt.axis([-1.8,1.6,0,2.5]) plt.savefig(figuredir+'fig16a.eps') def plotsizeHIdef(self,sbcutobs=20.5,isoflag=0,r90flag=0): figure(figsize=plotsize_single) plt.subplots_adjust(left=.15,bottom=.2) clf() flag = self.sampleflag & (self.HIflag) #& self.membflag #& self.dvflag print('number of galaxies = ',sum(flag)) y=(self.sizeratio[flag & self.membflag]) x=(self.s.HIDef[flag & self.membflag]) print('spearman for cluster galaxies only') t = spearman(x,y) #color=self.logstellarmass[flag] #color=self.logstellarmass[flag & s.membflag] colors=self.logstellarmass color=colors[flag & self.membflag] sp=scatter(x,y,s=90,c=color,vmin=mstarmin,vmax=mstarmax,label='$Core$',cmap='jet',edgecolor='k') y=(self.sizeratio[flag & ~self.membflag]) x=(self.s.HIDef[flag & ~self.membflag]) print('spearman for exterior galaxies only') t = spearman(x,y) #color=self.logstellarmass[flag] color=colors[flag & ~self.membflag] sp=scatter(x,y,s=90,c=color,vmin=8.5,vmax=10.8,marker='s',label='$External$',cmap='jet',edgecolor='k') y=(self.sizeratio[flag]) x=(self.s.HIDef[flag]) plt.legend(loc='upper left',scatterpoints=1) errorbar(x,y,self.sizeratioERR[flag],fmt=None,ecolor='.5',zorder=100) rho,p=spearman(x,y) ax=plt.gca() text(.95,.9,r'$\rho = %4.2f$'%(rho),horizontalalignment='right',transform=ax.transAxes,fontsize=16) text(.95,.8,'$p = %5.4f$'%(p),horizontalalignment='right',transform=ax.transAxes,fontsize=16) print('spearman for log(M*) < 10.41') rho,p=spearman(x[color < 10.41],y[color<10.41]) cb = plt.colorbar(sp,fraction=.08,ticks=np.arange(8.5,11,.5)) cb.ax.text(4.,.5,'$\log(M_\star/M_\odot)$',rotation=-90,verticalalignment='center',fontsize=20) plt.ylabel('$R_{24}/R_d$') plt.xlabel('$HI \ Deficiency$')#,fontsize=26) plt.axis([-.6,1.6,0,2.5]) plt.savefig(figuredir+'fig16b.eps') def plotNUVrsize(self): plt.figure(figsize=(10,4)) plt.subplots_adjust(left=.1,wspace=.01,bottom=.2,right=.9) BTmin = 0 BTmax = 0.4 flags = [self.sampleflag, self.sampleflag & self.membflag,self.sampleflag & ~self.membflag] labels = ['$All$','$Core$','$External$'] allax=[] for i in range(3): plt.subplot(1,3,i+1) plt.scatter(self.sizeratio[flags[i]],self.NUVr[flags[i]],c=self.gim2d.B_T_r[flags[i]],s=60,cmap='jet',vmin=BTmin,vmax=BTmax,edgecolors='k') if i == 0: plt.ylabel('$NUV-r$',fontsize=24) else: plt.gca().set_yticklabels(([])) text(0.98,0.9,labels[i],transform=gca().transAxes,horizontalalignment='right',fontsize=20) (rho,p)=spearman_with_errors(self.NUVr[flags[i]],self.sizeratio[flags[i]],self.sizeratioERR[flags[i]]) ax=plt.gca() plt.text(.05,.1,r'$\rho = [%4.2f, %4.2f]$'%(np.percentile(rho,16),np.percentile(rho,84)),horizontalalignment='left',transform=ax.transAxes,fontsize=12) plt.text(.05,.03,'$p = [%5.4f, %5.4f]$'%(np.percentile(p,16),np.percentile(p,84)),horizontalalignment='left',transform=ax.transAxes,fontsize=12) plt.axhline(y=4,ls='-',color='0.5') plt.axhline(y=4.5,ls='--',color='0.5') plt.axhline(y=3.5,ls='--',color='0.5') allax.append(plt.gca()) plt.xticks(np.arange(0,4)) plt.axis([-0.3,3.1,0,6.2]) colorlabel='$B/T$' c=plt.colorbar(ax=allax,fraction=.02,ticks = np.arange(0,.5,.1)) c.ax.text(3.5,.5,colorlabel,rotation=-90,verticalalignment='center',fontsize=20) plt.text(-.51,-.2,'$R_{24}/R_d $',transform=plt.gca().transAxes,fontsize=24,horizontalalignment='center') plt.savefig(figuredir+'fig17.eps') def plotsizevsMclallwhisker(sbcutobs=20,masscut=None,drcut=1.,blueflag=False,usetemp=False,useM500=False,usesigma=False,bwflag=True,btcut=None): plt.figure(figsize=(10,8)) plt.subplots_adjust(hspace=.02,wspace=.02,bottom=.15,left=.15) i=0 x1=[] y1=[] y2all=[] y3all=[] for cl in clusternamesbylx: flag = (g.s.CLUSTER == cl) & g.sampleflag & g.membflag & ~g.agnflag if btcut != None: flag = flag & (g.gim2d.B_T_r < btcut)#& ~s.blueflag print('number in ',cl,' = ',sum(flag)) if masscut != None: flag=flag & (g.logstellarmass < masscut) if usetemp: x=float(clusterTx[cl]) elif useM500: x=clusterXray[cl][1] # M500 elif usesigma: x=log10(clustersigma[cl]) else: x=log10(clusterLx[cl])+44 y=(g.sizeratio[flag]) y2=(g.size_ratio_corr[flag]) BT=mean(g.gim2d.B_T_r[flag & g.gim2dflag]) erry=std(g.sizeratioERR[flag])/sum(flag) #plot(x,median(y2),'k.',label='_nolegend_') if x > -99: #check for temp data, which is negative if not available print(x, y) if bwflag: plt.plot(x,median(y),'k.',color='k',marker=shapes[i],markersize=18,label=cl) bp = plt.boxplot([y],positions=[x],whis=99) plt.setp(bp['boxes'], color='black') plt.setp(bp['whiskers'], color='black') plt.setp(bp['fliers'], color='black', marker='+') plt.setp(bp['medians'], color='black') else: plt.plot(x,median(y),'k.',color=colors[i],marker=shapes[i],markersize=20,label=cl) plt.boxplot([y],positions=[x],whis=99) x1.append(x) y1.append(median(y)) y2all.append(median(y2)) y3all.append(mean(y2)) #errorbar(x,y,yerr=erry,fmt=None,ecolor=colors[i]) #plot(x,BT,'b^',markersize=15) i+=1 plt.legend(loc='upper right',numpoints=1,markerscale=.6) flag = g.sampleflag & ~g.membflag & ~g.agnflag #& ~s.dvflag exteriorvalue=mean(g.sizeratio[flag]) errexteriorvalue=std(g.sizeratio[flag])/sqrt(1.*sum(flag)) plt.axhline(y=exteriorvalue,color='0.5',ls='-') plt.axhline(y=exteriorvalue+errexteriorvalue,color='0.5',ls='--') plt.axhline(y=exteriorvalue-errexteriorvalue,color='0.5',ls='--') #print 'size corrected by B/A' #spearman(x1,y2all) #print y1 #print y2all #print 'size corrected by B/A, mean' #spearman(x1,y3all) ax=plt.gca() #ax.set_xscale('log') #xl=arange(41,45,.1) #yl=-.3*(xl-43.)+.64 #plot(xl,yl,'k--') if usetemp: plt.xlabel('$ T_X (kev)$',fontsize = 28) else: plt.xlabel('$ log_{10}(L_X \ erg \ s^{-1} )$',fontsize = 28) plt.ylabel('$R_{24}/R_d$',fontsize = 28) if usetemp: plt.xticks(np.arange(0,10.,1)) plt.axis([-.05,10.5,0.,1.2]) ax.tick_params(axis='both', which='major', labelsize=16) elif useM500: plt.axis([-.75,5.5,0.,1.2]) ax.tick_params(axis='both', which='major', labelsize=16) elif usesigma: #axis([2,3.5,0.,1.2]) ax.tick_params(axis='both', which='major', labelsize=16) #xticks(arange(2,4,.5))#,['','44','45']) else: plt.axis([42.5,45.5,-.1,2.8]) plt.xticks(np.arange(43,46),['43','44','45']) ax.tick_params(axis='both', which='major', labelsize=16) plt.savefig(figuredir+'fig14.eps') def plotsigmaLx(bwflag=True): plt.figure(figsize=[7,6]) plt.clf() plt.subplots_adjust(left=.16,bottom=.16,right=.95,top=.95,wspace=.3) i=0 x=[] y=[] errm=[] errp=[] for cl in clusternamesbylx: if bwflag: plt.plot(clusterLx[cl],clusterbiweightscale[cl],'ko',marker=shapes[i],markersize=18,mfc=None,label=cl) else: plt.plot(clusterLx[cl],clusterbiweightscale[cl],'ko',color=colors[i],marker=shapes[i],markersize=16,label=cl) errm.append(clusterbiweightscale_errm[cl]) errp.append(clusterbiweightscale_errp[cl]) x.append(clusterLx[cl]) y.append(clusterbiweightscale[cl]) i += 1 errm=array(errm) errp=array(errp) yerror=array(list(zip(errm, errp)),'f') #print 'yerror = ',yerror errorbar(x,y,yerr=yerror.T,fmt=None,ecolor='k') # plot comparison sample mah = fits.getdata(homedir+'/github/LCS/tables/Mahdavi2001/systems.fits') # correct Lx to convert from H0=50 to H0=71 (divide by 1.96) # convert bolometric luminosity to L in 0.1-2.4 kev band, which is what I use in the figure # this conversion depends on temperature, ranges from 1.44 - 4.05; using 1.4 as a typical value # this also brings coma into agreement plt.plot(10.**(mah.logLXbol-44.)/1.96/1.4,10.**mah.logsigma,'k.',c='0.5',alpha=0.5) plt.gca().set_xscale('log') plt.xlabel('$L_X \ (10^{44} \ erg/s)$',fontsize=26) plt.ylabel('$\sigma \ (km/s) $',fontsize=26) plt.axis([.04,10,300,1100]) leg=plt.legend(numpoints=1,loc='upper left',scatterpoints=1,markerscale=.6,borderpad=.2,labelspacing=.2,handletextpad=.2,prop={'size':14}) gca().tick_params(axis='both', which='major', labelsize=16) plt.savefig(figuredir+'fig1.eps') def plotpositionson24(plotsingle=0,plotcolorbar=1,plotnofit=0,useirsb=0): plt.figure(figsize=(10,8)) plt.subplots_adjust(hspace=.02,wspace=.02,left=.12,bottom=.12,right=.85) i=1 allax=[] for cl in clusternamesbylx: plt.subplot(3,3,i) infile=homedir+'/github/LCS/tables/clustertables/'+cl+'_NSAmastertable.fits' d=fits.getdata(infile) #print cl, i ra=g.s.RA-clusterRA[cl] dec=g.s.DEC-clusterDec[cl] r200=2.02*(clusterbiweightscale[cl])/1000./sqrt(OmegaL+OmegaM*(1.+clusterz[cl])**3)*H0/70. # in Mpc r200deg=r200*1000./(cosmo.angular_diameter_distance(clusterbiweightcenter[cl]/3.e5).value*Mpcrad_kpcarcsec)/3600. cir=Circle((0,0),radius=r200deg,color='None',ec='k') gca().add_patch(cir) flag=(g.s.CLUSTER == cl) & g.dvflag plt.hexbin(d.RA-clusterRA[cl],d.DEC-clusterDec[cl],cmap=cm.Greys,gridsize=40,vmin=0,vmax=10) if plotnofit: flag=g.sfsampleflag & ~g.sampleflag & g.dvflag & (g.s.CLUSTER == cl) plot(ra[flag],dec[flag],'rv',mec='r',mfc='None') flag=g.sampleflag & g.dvflag & (g.s.CLUSTER == cl) #print cl, len(ra[flag]),len(dec[flag]),len(s.s.SIZE_RATIO[flag]) if useirsb: color=log10(g.sigma_ir) v1=7.6 v2=10.5 colormap=cm.jet else: color=g.s.SIZE_RATIO v1=.1 v2=1 colormap='jet_r' try: plt.scatter(ra[flag],dec[flag],s=30,c=color[flag],cmap=colormap,vmin=v1,vmax=v2,edgecolors='k') except ValueError: plt.scatter(ra[flag],dec[flag],s=30,c='k',cmap=cm.jet_r,vmin=.1,vmax=1,edgecolors='k') ax=plt.gca() fsize=14 t=cluster24Box[cl] drawbox([t[0]-clusterRA[cl],t[1]-clusterDec[cl],t[2],t[3],t[4]],'g-') ax=gca() ax.invert_xaxis() if plotsingle: xlabel('$ \Delta RA \ (deg) $',fontsize=22) ylabel('$ \Delta DEC \ (deg) $',fontsize=22) legend(numpoints=1,scatterpoints=1) cname='$'+cl+'$' text(.1,.8,cname,fontsize=18,transform=ax.transAxes,horizontalalignment='left') plt.axis([1.8,-1.8,-1.8,1.8]) plt.xticks(np.arange(-1,2,1)) plt.yticks(np.arange(-1,2,1)) allax.append(ax) multiplotaxes(i) i+=1 if plotcolorbar: c=colorbar(ax=allax,fraction=0.05) c.ax.text(2.2,.5,'$R_{24}/R_d$',rotation=-90,verticalalignment='center',fontsize=20) plt.text(-.5,-.28,'$\Delta RA \ (deg) $',fontsize=26,horizontalalignment='center',transform=ax.transAxes) plt.text(-2.4,1.5,'$\Delta Dec \ $',fontsize=26,verticalalignment='center',rotation=90,transform=ax.transAxes,family='serif') #plt.savefig(homedir+'/research/LocalClusters/SamplePlots/positionson24.eps') #plt.savefig(homedir+'/research/LocalClusters/SamplePlots/positionson24.png') plt.savefig(figuredir+'fig3.eps') def plotRe24vsReall(sbcutobs=20,plotcolorbar=0,fixPA=False,logyflag=False,usedr=False): figure(figsize=(10,8)) subplots_adjust(hspace=.02,wspace=.02,left=.15,bottom=.15,right=.9,top=.9) i=1 allax=[] for cl in clusternamesbylx: plt.subplot(3,3,i) flag = (g.s.CLUSTER == cl) & g.sampleflag g.plotRe24vsRe(plotsingle=0,usemyflag=1,myflag=flag,sbcutobs=sbcutobs,logy=logyflag,fixPA=fixPA,usedr=usedr) ax=plt.gca() cname='$'+cl+'$' plt.text(.9,.8,cname,fontsize=18,transform=ax.transAxes,horizontalalignment='right') allax.append(ax) multiplotaxes(i) i+=1 if plotcolorbar: if usedr: cblabel = '$\Delta r/R_{200}$' cblabel='$log_{10}(\sqrt{(\Delta r/R_{200})^2 + (\Delta v/\sigma)^2})$' else: cblabel='$log_{10}(M_*/M\odot) $' plt.colorbar(ax=allax,fraction=0.08,label=cblabel) plt.text(-.5,-.3,'$R_d \ (kpc)$',fontsize=22,horizontalalignment='center',transform=ax.transAxes) plt.text(-2.4,1.5,'$R_{24} \ (kpc) $',fontsize=22,verticalalignment='center',rotation=90,transform=ax.transAxes,family='serif') savefig(figuredir+'fig10.eps') def plotsizevscluster(masscut=None,btcut=None): clusters = ['Hercules','A1367','A2052','A2063'] bigmomma = ['Coma'] zflag = np.ones(len(g.sampleflag),'bool') if masscut != None: zflag = zflag & (g.logstellarmass < 10.) if btcut != None: zflag = zflag & (g.gim2d.B_T_r < btcut) btcut = .3 flag = zflag & g.sampleflag & g.membflag groupflag = flag & ((g.s.CLUSTER == 'MKW11') | (g.s.CLUSTER == 'MKW8') | (g.s.CLUSTER == 'AWM4') | (g.s.CLUSTER == 'NGC6107')) clusterflag = flag & ((g.s.CLUSTER == 'Hercules') | (g.s.CLUSTER == 'A1367') | (g.s.CLUSTER == 'A2052') | (g.s.CLUSTER == 'A2063')) bigmommaflag = flag & (g.s.CLUSTER == 'Coma') exteriorflag = zflag & g.sampleflag & (g.gim2d.B_T_r < btcut) & ~g.membflag & ~g.dvflag nearexteriorflag = zflag & g.sampleflag & (g.gim2d.B_T_r < btcut) & ~g.membflag & g.dvflag envs = [exteriorflag, nearexteriorflag,groupflag, clusterflag, bigmommaflag] plt.figure() ypoint = [] y2 = [] y2err=[] yerr = [] for i in range(len(envs)): ypoint.append(np.median(g.sizeratio[envs[i]])) #ypoint.append(ws.weighted_mean(s.sizeratio[envs[i]],weights=1./s.sizeratioERR[envs[i]])) yerr.append(np.std(g.sizeratio[envs[i]])/np.sqrt(1.*np.sum(envs[i]))) y2.append(np.median(g.gim2d.B_T_r[envs[i]])) #ypoint.append(ws.weighted_mean(s.sizeratio[envs[i]],weights=1./s.sizeratioERR[envs[i]])) y2err.append(np.std(g.gim2d.B_T_r[envs[i]])/np.sqrt(1.*np.sum(envs[i]))) y=g.sizeratio[envs[i]] plt.plot(i,np.median(y),'ko',markersize=10) bp = boxplot([y],positions=[i],widths=[.3],whis=99) plt.setp(bp['boxes'], color='black') plt.setp(bp['whiskers'], color='black') plt.setp(bp['fliers'], color='black', marker='+') plt.setp(bp['medians'], color='black') ax = plt.gca() plt.text(.95,.94,'$Far-External: \ \Delta v/\sigma > 3 $',fontsize=14,transform = ax.transAxes,horizontalalignment='right') plt.text(.95,.86,'$Near-External: \ \Delta v/\sigma < 3$',fontsize=14,transform = ax.transAxes,horizontalalignment='right') plt.text(.95,.78,'$Group: \ \sigma < 700 \ km/s$',fontsize=14,transform = ax.transAxes,horizontalalignment='right') plt.text(.95,.70,'$Cluster: \ \sigma > 700 \ km/s$',fontsize=14,transform = ax.transAxes,horizontalalignment='right') plt.xticks(np.arange(len(envs)),['$Field$', '$Near-Field$', '$Group$', '$Cluster$', '$Coma$'],fontsize=16) plt.xlim(-.3,len(envs)-.7) plt.ylim(-.1,2.95) #plt.legend() plt.ylabel('$R_{24}/R_d$') plt.xlabel('$Environment$') plt.subplots_adjust(bottom=.2,top=.9,left=.15,right=.92) #plt.subplots_adjust(bottom=.15) plt.savefig(figuredir+'fig15.eps') def paperTable1Paper1(sbcutobs=20,masscut=0): #clustersigma={'MKW11':361, 'MKW8':325., 'AWM4':500., 'A2063':660., 'A2052':562., 'NGC6107':500., 'Coma':1000., 'A1367':745., 'Hercules':689.} #clusterz={'MKW11':.022849,'MKW8':.027,'AWM4':.031755,'A2063':.034937,'A2052':.035491,'NGC6107':.030658,'Coma':.023,'A1367':.028,'Hercules':.037,'MKW10':.02054} #clusterbiweightcenter={'MKW11':6897,'MKW8':8045,'AWM4':9636,'A2063':10426,'A2052':10354,'NGC6107':9397,'Coma':7015,'A1367':6507,'Hercules':10941} #clusterbiweightcenter_errp={'MKW11':45,'MKW8':36,'AWM4':51,'A2063':63,'A2052':64,'NGC6107':48,'Coma':41,'A1367':48,'Hercules':48} #clusterbiweightcenter_errm={'MK #outfile=open(homedir+'/Dropbox/Research/MyPapers/LCSpaper1/Table1.tex','w') outfile=open(figuredir+'Table1.tex','w') outfile.write('\\begin{deluxetable*}{ccccc} \n') outfile.write('\\tablecaption{Cluster Properties and Galaxy Sample Sizes \label{finalsample}} \n') #outfile.write('\\tablehead{\colhead{Cluster} &\colhead{Biweight Central Velocity} & \colhead{Lit.} & \colhead{Biweight Scale} & \colhead{Lit} & \colhead{N$_{spiral}$} & \colhead{N$_{spiral}$} } \n')# % \\\\ & \colhead{(km/s)} & \colhead{(km/s)} & \colhead{(km/s)} & \colhead{(km/s)} & \colhead{Member} & \colhead{External}} \n') outfile.write('\\tablehead{\colhead{Cluster} &\colhead{Biweight Central Velocity} & \colhead{Biweight Scale} & \colhead{N$_{gal}$} & \colhead{N$_{gal}$} \\\\ & \colhead{(km/s)} & \colhead{(km/s)} & Core & External } \n') outfile.write('\startdata \n') for cl in clusternamesbydistance: nmemb_spiral = sum((g.s.CLUSTER == cl) & g.sampleflag & g.membflag) nnearexterior_spiral = sum((g.s.CLUSTER == cl) & g.sampleflag & ~g.membflag & g.dvflag) nexterior_spiral = sum((g.s.CLUSTER == cl) & g.sampleflag & ~g.membflag & ~g.dvflag) exterior_spiral = sum((g.s.CLUSTER == cl) & g.sampleflag & ~g.membflag) #tableline='%s & %i$^{%+i}_{-%i}$ & %i & %i$^{+%i}_{-%i}$ & %i & %i & %i & %i \\\\ \n' %(cl, clusterbiweightcenter[cl],clusterbiweightcenter_errp[cl],clusterbiweightcenter_errm[cl],int(round(clusterz[cl]*3.e5)), clusterbiweightscale[cl],clusterbiweightscale_errp[cl],clusterbiweightscale_errm[cl],int(round(clustersigma[cl])),nmemb_spiral,nexterior_spiral) tableline='%s & %i$^{%+i}_{-%i}$ & %i$^{+%i}_{-%i}$ & %i & %i \\\\ \n' %(cl, clusterbiweightcenter[cl],clusterbiweightcenter_errp[cl],clusterbiweightcenter_errm[cl], clusterbiweightscale[cl],clusterbiweightscale_errp[cl],clusterbiweightscale_errm[cl],nmemb_spiral,exterior_spiral) outfile.write(tableline) outfile.write('\enddata \n') outfile.write('\end{deluxetable*} \n') outfile.close() if __name__ == '__main__': homedir = os.environ['HOME'] g = galaxies(homedir+'/github/LCS/') #plotsigmaLx() # Fig 1 #plotpositionson24() # Fig 3 #g.plotsizedvdr(plothexbin=True,plotmembcut=False,plotoman=True,plotbadfits=0,hexbinmax=40,colormin=.2,colormax=1.1) # Fig 4 #g.compare_cluster_exterior() # Fig 5 #plotRe24vsReall(logyflag=False) # Fig 10 #g.plotsizehist(colorflag=True) # Fig 11a #g.plotsizehist(btcut=.3,colorflag=True) # Fig 11b #g.plotsize3panel(use_median=False,equal_pop_bins=True) # Fig 12 #g.plotsizestellarmass(use_median=False,equal_pop_bins=True,btmax=0.3) # Fig 13 #plotsizevsMclallwhisker(btcut=.3) # Fig 14 #plotsizevscluster(btcut=.3) # Fig 15 #g.plotsizeHIfrac() # Fig 16a #g.plotsizeHIdef() # Fig 16b #g.plotNUVrsize() # Fig 17
rfinn/LCS
python/LCSpaper1.py
Python
gpl-3.0
45,395
[ "Galaxy" ]
857caa27ee8e4bf1c9d2132dc232379cf4265b74b0d0d6728f6c224ac09ca823
# -*- encoding:utf-8 -*- from __future__ import division, absolute_import, print_function import sys, textwrap from ..docscrape import NumpyDocString, FunctionDoc, ClassDoc from ..docscrape_sphinx import SphinxDocString, SphinxClassDoc if sys.version_info[0] >= 3: sixu = lambda s: s else: sixu = lambda s: unicode(s, 'unicode_escape') doc_txt = '''\ numpy.multivariate_normal(mean, cov, shape=None, spam=None) Draw values from a multivariate normal distribution with specified mean and covariance. The multivariate normal or Gaussian distribution is a generalisation of the one-dimensional normal distribution to higher dimensions. Parameters ---------- mean : (N,) ndarray Mean of the N-dimensional distribution. .. math:: (1+2+3)/3 cov : (N, N) ndarray Covariance matrix of the distribution. shape : tuple of ints Given a shape of, for example, (m,n,k), m*n*k samples are generated, and packed in an m-by-n-by-k arrangement. Because each sample is N-dimensional, the output shape is (m,n,k,N). Returns ------- out : ndarray The drawn samples, arranged according to `shape`. If the shape given is (m,n,...), then the shape of `out` is is (m,n,...,N). In other words, each entry ``out[i,j,...,:]`` is an N-dimensional value drawn from the distribution. list of str This is not a real return value. It exists to test anonymous return values. Other Parameters ---------------- spam : parrot A parrot off its mortal coil. Raises ------ RuntimeError Some error Warns ----- RuntimeWarning Some warning Warnings -------- Certain warnings apply. Notes ----- Instead of specifying the full covariance matrix, popular approximations include: - Spherical covariance (`cov` is a multiple of the identity matrix) - Diagonal covariance (`cov` has non-negative elements only on the diagonal) This geometrical property can be seen in two dimensions by plotting generated data-points: >>> mean = [0,0] >>> cov = [[1,0],[0,100]] # diagonal covariance, points lie on x or y-axis >>> x,y = multivariate_normal(mean,cov,5000).T >>> plt.plot(x,y,'x'); plt.axis('equal'); plt.show() Note that the covariance matrix must be symmetric and non-negative definite. References ---------- .. [1] A. Papoulis, "Probability, Random Variables, and Stochastic Processes," 3rd ed., McGraw-Hill Companies, 1991 .. [2] R.O. Duda, P.E. Hart, and D.G. Stork, "Pattern Classification," 2nd ed., Wiley, 2001. See Also -------- some, other, funcs otherfunc : relationship Examples -------- >>> mean = (1,2) >>> cov = [[1,0],[1,0]] >>> x = multivariate_normal(mean,cov,(3,3)) >>> print x.shape (3, 3, 2) The following is probably true, given that 0.6 is roughly twice the standard deviation: >>> print list( (x[0,0,:] - mean) < 0.6 ) [True, True] .. index:: random :refguide: random;distributions, random;gauss ''' doc = NumpyDocString(doc_txt) def test_signature(): assert doc['Signature'].startswith('numpy.multivariate_normal(') assert doc['Signature'].endswith('spam=None)') def test_summary(): assert doc['Summary'][0].startswith('Draw values') assert doc['Summary'][-1].endswith('covariance.') def test_extended_summary(): assert doc['Extended Summary'][0].startswith('The multivariate normal') def test_parameters(): assert len(doc['Parameters']) == 3 assert [n for n,_,_ in doc['Parameters']] == ['mean','cov','shape'] arg, arg_type, desc = doc['Parameters'][1] assert arg_type == '(N, N) ndarray' assert desc[0].startswith('Covariance matrix') assert doc['Parameters'][0][-1][-2] == ' (1+2+3)/3' def test_other_parameters(): assert len(doc['Other Parameters']) == 1 assert [n for n,_,_ in doc['Other Parameters']] == ['spam'] arg, arg_type, desc = doc['Other Parameters'][0] assert arg_type == 'parrot' assert desc[0].startswith('A parrot off its mortal coil') def test_returns(): assert len(doc['Returns']) == 2 arg, arg_type, desc = doc['Returns'][0] assert arg == 'out' assert arg_type == 'ndarray' assert desc[0].startswith('The drawn samples') assert desc[-1].endswith('distribution.') arg, arg_type, desc = doc['Returns'][1] assert arg == 'list of str' assert arg_type == '' assert desc[0].startswith('This is not a real') assert desc[-1].endswith('anonymous return values.') def test_notes(): assert doc['Notes'][0].startswith('Instead') assert doc['Notes'][-1].endswith('definite.') assert len(doc['Notes']) == 17 def test_references(): assert doc['References'][0].startswith('..') assert doc['References'][-1].endswith('2001.') def test_examples(): assert doc['Examples'][0].startswith('>>>') assert doc['Examples'][-1].endswith('True]') def test_index(): assert doc['index']['default'] == 'random' assert len(doc['index']) == 2 assert len(doc['index']['refguide']) == 2 def non_blank_line_by_line_compare(a,b): a = textwrap.dedent(a) b = textwrap.dedent(b) a = [l.rstrip() for l in a.split('\n') if l.strip()] b = [l.rstrip() for l in b.split('\n') if l.strip()] for n,line in enumerate(a): if not line == b[n]: raise AssertionError("Lines %s of a and b differ: " "\n>>> %s\n<<< %s\n" % (n,line,b[n])) def test_str(): non_blank_line_by_line_compare(str(doc), """numpy.multivariate_normal(mean, cov, shape=None, spam=None) Draw values from a multivariate normal distribution with specified mean and covariance. The multivariate normal or Gaussian distribution is a generalisation of the one-dimensional normal distribution to higher dimensions. Parameters ---------- mean : (N,) ndarray Mean of the N-dimensional distribution. .. math:: (1+2+3)/3 cov : (N, N) ndarray Covariance matrix of the distribution. shape : tuple of ints Given a shape of, for example, (m,n,k), m*n*k samples are generated, and packed in an m-by-n-by-k arrangement. Because each sample is N-dimensional, the output shape is (m,n,k,N). Returns ------- out : ndarray The drawn samples, arranged according to `shape`. If the shape given is (m,n,...), then the shape of `out` is is (m,n,...,N). In other words, each entry ``out[i,j,...,:]`` is an N-dimensional value drawn from the distribution. list of str This is not a real return value. It exists to test anonymous return values. Other Parameters ---------------- spam : parrot A parrot off its mortal coil. Raises ------ RuntimeError Some error Warns ----- RuntimeWarning Some warning Warnings -------- Certain warnings apply. See Also -------- `some`_, `other`_, `funcs`_ `otherfunc`_ relationship Notes ----- Instead of specifying the full covariance matrix, popular approximations include: - Spherical covariance (`cov` is a multiple of the identity matrix) - Diagonal covariance (`cov` has non-negative elements only on the diagonal) This geometrical property can be seen in two dimensions by plotting generated data-points: >>> mean = [0,0] >>> cov = [[1,0],[0,100]] # diagonal covariance, points lie on x or y-axis >>> x,y = multivariate_normal(mean,cov,5000).T >>> plt.plot(x,y,'x'); plt.axis('equal'); plt.show() Note that the covariance matrix must be symmetric and non-negative definite. References ---------- .. [1] A. Papoulis, "Probability, Random Variables, and Stochastic Processes," 3rd ed., McGraw-Hill Companies, 1991 .. [2] R.O. Duda, P.E. Hart, and D.G. Stork, "Pattern Classification," 2nd ed., Wiley, 2001. Examples -------- >>> mean = (1,2) >>> cov = [[1,0],[1,0]] >>> x = multivariate_normal(mean,cov,(3,3)) >>> print x.shape (3, 3, 2) The following is probably true, given that 0.6 is roughly twice the standard deviation: >>> print list( (x[0,0,:] - mean) < 0.6 ) [True, True] .. index:: random :refguide: random;distributions, random;gauss""") def test_sphinx_str(): sphinx_doc = SphinxDocString(doc_txt) non_blank_line_by_line_compare(str(sphinx_doc), """ .. index:: random single: random;distributions, random;gauss Draw values from a multivariate normal distribution with specified mean and covariance. The multivariate normal or Gaussian distribution is a generalisation of the one-dimensional normal distribution to higher dimensions. :Parameters: **mean** : (N,) ndarray Mean of the N-dimensional distribution. .. math:: (1+2+3)/3 **cov** : (N, N) ndarray Covariance matrix of the distribution. **shape** : tuple of ints Given a shape of, for example, (m,n,k), m*n*k samples are generated, and packed in an m-by-n-by-k arrangement. Because each sample is N-dimensional, the output shape is (m,n,k,N). :Returns: **out** : ndarray The drawn samples, arranged according to `shape`. If the shape given is (m,n,...), then the shape of `out` is is (m,n,...,N). In other words, each entry ``out[i,j,...,:]`` is an N-dimensional value drawn from the distribution. list of str This is not a real return value. It exists to test anonymous return values. :Other Parameters: **spam** : parrot A parrot off its mortal coil. :Raises: **RuntimeError** Some error :Warns: **RuntimeWarning** Some warning .. warning:: Certain warnings apply. .. seealso:: :obj:`some`, :obj:`other`, :obj:`funcs` :obj:`otherfunc` relationship .. rubric:: Notes Instead of specifying the full covariance matrix, popular approximations include: - Spherical covariance (`cov` is a multiple of the identity matrix) - Diagonal covariance (`cov` has non-negative elements only on the diagonal) This geometrical property can be seen in two dimensions by plotting generated data-points: >>> mean = [0,0] >>> cov = [[1,0],[0,100]] # diagonal covariance, points lie on x or y-axis >>> x,y = multivariate_normal(mean,cov,5000).T >>> plt.plot(x,y,'x'); plt.axis('equal'); plt.show() Note that the covariance matrix must be symmetric and non-negative definite. .. rubric:: References .. [1] A. Papoulis, "Probability, Random Variables, and Stochastic Processes," 3rd ed., McGraw-Hill Companies, 1991 .. [2] R.O. Duda, P.E. Hart, and D.G. Stork, "Pattern Classification," 2nd ed., Wiley, 2001. .. only:: latex [1]_, [2]_ .. rubric:: Examples >>> mean = (1,2) >>> cov = [[1,0],[1,0]] >>> x = multivariate_normal(mean,cov,(3,3)) >>> print x.shape (3, 3, 2) The following is probably true, given that 0.6 is roughly twice the standard deviation: >>> print list( (x[0,0,:] - mean) < 0.6 ) [True, True] """) doc2 = NumpyDocString(""" Returns array of indices of the maximum values of along the given axis. Parameters ---------- a : {array_like} Array to look in. axis : {None, integer} If None, the index is into the flattened array, otherwise along the specified axis""") def test_parameters_without_extended_description(): assert len(doc2['Parameters']) == 2 doc3 = NumpyDocString(""" my_signature(*params, **kwds) Return this and that. """) def test_escape_stars(): signature = str(doc3).split('\n')[0] signature == 'my_signature(\*params, \*\*kwds)' doc4 = NumpyDocString( """a.conj() Return an array with all complex-valued elements conjugated.""") def test_empty_extended_summary(): assert doc4['Extended Summary'] == [] doc5 = NumpyDocString( """ a.something() Raises ------ LinAlgException If array is singular. Warns ----- SomeWarning If needed """) def test_raises(): assert len(doc5['Raises']) == 1 name,_,desc = doc5['Raises'][0] assert name == 'LinAlgException' assert desc == ['If array is singular.'] def test_warns(): assert len(doc5['Warns']) == 1 name,_,desc = doc5['Warns'][0] assert name == 'SomeWarning' assert desc == ['If needed'] def test_see_also(): doc6 = NumpyDocString( """ z(x,theta) See Also -------- func_a, func_b, func_c func_d : some equivalent func foo.func_e : some other func over multiple lines func_f, func_g, :meth:`func_h`, func_j, func_k :obj:`baz.obj_q` :class:`class_j`: fubar foobar """) assert len(doc6['See Also']) == 12 for func, desc, role in doc6['See Also']: if func in ('func_a', 'func_b', 'func_c', 'func_f', 'func_g', 'func_h', 'func_j', 'func_k', 'baz.obj_q'): assert(not desc) else: assert(desc) if func == 'func_h': assert role == 'meth' elif func == 'baz.obj_q': assert role == 'obj' elif func == 'class_j': assert role == 'class' else: assert role is None if func == 'func_d': assert desc == ['some equivalent func'] elif func == 'foo.func_e': assert desc == ['some other func over', 'multiple lines'] elif func == 'class_j': assert desc == ['fubar', 'foobar'] def test_see_also_print(): class Dummy(object): """ See Also -------- func_a, func_b func_c : some relationship goes here func_d """ pass obj = Dummy() s = str(FunctionDoc(obj, role='func')) assert(':func:`func_a`, :func:`func_b`' in s) assert(' some relationship' in s) assert(':func:`func_d`' in s) doc7 = NumpyDocString(""" Doc starts on second line. """) def test_empty_first_line(): assert doc7['Summary'][0].startswith('Doc starts') def test_no_summary(): str(SphinxDocString(""" Parameters ----------""")) def test_unicode(): doc = SphinxDocString(""" öäöäöäöäöåååå öäöäöäööäååå Parameters ---------- ååå : äää ööö Returns ------- ååå : ööö äää """) assert isinstance(doc['Summary'][0], str) assert doc['Summary'][0] == 'öäöäöäöäöåååå' def test_plot_examples(): cfg = dict(use_plots=True) doc = SphinxDocString(""" Examples -------- >>> import matplotlib.pyplot as plt >>> plt.plot([1,2,3],[4,5,6]) >>> plt.show() """, config=cfg) assert 'plot::' in str(doc), str(doc) doc = SphinxDocString(""" Examples -------- .. plot:: import matplotlib.pyplot as plt plt.plot([1,2,3],[4,5,6]) plt.show() """, config=cfg) assert str(doc).count('plot::') == 1, str(doc) def test_class_members(): class Dummy(object): """ Dummy class. """ def spam(self, a, b): """Spam\n\nSpam spam.""" pass def ham(self, c, d): """Cheese\n\nNo cheese.""" pass @property def spammity(self): """Spammity index""" return 0.95 class Ignorable(object): """local class, to be ignored""" pass for cls in (ClassDoc, SphinxClassDoc): doc = cls(Dummy, config=dict(show_class_members=False)) assert 'Methods' not in str(doc), (cls, str(doc)) assert 'spam' not in str(doc), (cls, str(doc)) assert 'ham' not in str(doc), (cls, str(doc)) assert 'spammity' not in str(doc), (cls, str(doc)) assert 'Spammity index' not in str(doc), (cls, str(doc)) doc = cls(Dummy, config=dict(show_class_members=True)) assert 'Methods' in str(doc), (cls, str(doc)) assert 'spam' in str(doc), (cls, str(doc)) assert 'ham' in str(doc), (cls, str(doc)) assert 'spammity' in str(doc), (cls, str(doc)) if cls is SphinxClassDoc: assert '.. autosummary::' in str(doc), str(doc) else: assert 'Spammity index' in str(doc), str(doc) def test_duplicate_signature(): # Duplicate function signatures occur e.g. in ufuncs, when the # automatic mechanism adds one, and a more detailed comes from the # docstring itself. doc = NumpyDocString( """ z(x1, x2) z(a, theta) """) assert doc['Signature'].strip() == 'z(a, theta)' class_doc_txt = """ Foo Parameters ---------- f : callable ``f(t, y, *f_args)`` Aaa. jac : callable ``jac(t, y, *jac_args)`` Bbb. Attributes ---------- t : float Current time. y : ndarray Current variable values. Methods ------- a b c Examples -------- For usage examples, see `ode`. """ def test_class_members_doc(): doc = ClassDoc(None, class_doc_txt) non_blank_line_by_line_compare(str(doc), """ Foo Parameters ---------- f : callable ``f(t, y, *f_args)`` Aaa. jac : callable ``jac(t, y, *jac_args)`` Bbb. Examples -------- For usage examples, see `ode`. Attributes ---------- t : float Current time. y : ndarray Current variable values. Methods ------- a b c .. index:: """) def test_class_members_doc_sphinx(): doc = SphinxClassDoc(None, class_doc_txt) non_blank_line_by_line_compare(str(doc), """ Foo :Parameters: **f** : callable ``f(t, y, *f_args)`` Aaa. **jac** : callable ``jac(t, y, *jac_args)`` Bbb. .. rubric:: Examples For usage examples, see `ode`. .. rubric:: Attributes === ========== t (float) Current time. y (ndarray) Current variable values. === ========== .. rubric:: Methods === ========== a b c === ========== """)
eteq/astropy-helpers
astropy_helpers/sphinx/ext/tests/test_docscrape.py
Python
bsd-3-clause
18,105
[ "Gaussian" ]
be220211e1fdbd056a1f9f57c204159ebd55523d0c6ec36d32f0c760bd3bcd77
# -*- coding: utf-8 -*- """Page and page Component classes The keteparaha Page and Component classes represent web pages and components of web pages. Pages are identified by the URL of the browser, and components by the CSS selector that is used to retrieve them. If you perform an action that causes the browser to visit a new URL, and you have defined a Page class with that URL, then the new page will automatically be returned from that action. Creating an instance of a page object will automatically cause the browser to visit that page as well. Example: BASE_URL = 'http://my-site.com' class Home(Page): url = BASE_URL + '/' class Dashboard(Page): url = BASE_URL + '/dashboard/' class home = Home(driver) # driver is a WebDriver instance, browser would # automatically visit the home page at this point dashboard = home.click_link('Dashboard') """ from __future__ import unicode_literals import collections from inspect import isclass import time from selenium.common import exceptions from selenium.webdriver.common.action_chains import ActionChains from selenium.webdriver.common.by import By from selenium.webdriver.remote.webdriver import WebDriver from selenium.webdriver.support import expected_conditions as ec from selenium.webdriver.support.select import Select from selenium.webdriver.support.wait import TimeoutException, WebDriverWait from six import with_metaclass from urlparse import parse_qs, urlparse import re from .expectations import ( _wait_for_condition, component_to_be_clickable, text_to_be_present_in_component ) from . import flow ELEMENT_TIMEOUT = 10 """ (int): The seconds that a component will wait to be visible, clickable, or present before raising a TimeoutException """ __all__ = ['Component', 'Page'] # Workaround for backwards compatibility with Python 2.7 try: unicode = unicode except NameError: basestring = (str, bytes) def match_url(url, candidates): parsed = urlparse(url) for candidate in candidates: if not isinstance(candidate, basestring): continue if re.match(r'https?://', candidate): candidate_path = urlparse(candidate).path else: candidate_path = candidate match = re.match(candidate_path, parsed.path) if match: kwargs = match.groupdict() args = tuple(set(match.groups()) - set(kwargs.values())) if parsed.query: kwargs['_query'] = parse_qs(parsed.query) if parsed.fragment: kwargs['_fragment'] = parsed.fragment return candidate, args, kwargs class _Registry(collections.MutableMapping): """A singleton registry for pages and components""" store = dict() def __delitem__(self, key): pass def __getitem__(self, key): return self.store[key] def __iter__(self): for value in self.store.values(): yield value def __setitem__(self, key, value): self.store[key] = value def __len__(self): return len(self.store) def __call__(self, selector): try: return self.store[selector] except KeyError: return self.make_class(selector) def make_class(self, selector): try: return type( 'DynamicComponent', (Component,), {'selector': selector}) except TypeError: # Python < 3 return type( b'DynamicComponent', (Component,), {'selector': selector}) return def keys(self): return self.store.keys() class _RegistryMeta(type): """Add our pages and components to a central registry""" def __init__(cls, name, bases, dct): if dct.get('url'): cls._registry[dct.get('url')] = cls elif dct.get('selector'): cls._registry[dct.get('selector')] = cls return super(_RegistryMeta, cls).__init__(name, bases, dct) class _SeleniumWrapper(object): """Mixin for page and component class that understands the WebDriver API """ TimeoutException = TimeoutException class ComponentMissing(Exception): pass def _get_component_class(self, component_or_selector): """Ensure we have a component class Either return argument if it's a component, get a registered component, or dynamically create a component. """ if isclass(component_or_selector) and issubclass( component_or_selector, Component): return component_or_selector return self._registry(component_or_selector) def get_component(self, component_or_selector): """Return an initialised component present in page takes either a component class to find in the page or a css selector. If the selector is not present in the page raises a ComponentMissing error. """ ComponentClass = self._get_component_class(component_or_selector) try: return ComponentClass(self) except TimeoutException: raise self.ComponentMissing( '"{0}" could not be found in page'.format( ComponentClass.selector)) def get_components(self, component_or_selector): """Return an list of initialised components present in page Returns an empty list if no components could be found """ ComponentClass = self._get_component_class(component_or_selector) components = [] try: elements = self.get_elements(ComponentClass.selector) except TimeoutException: return components for idx, element in enumerate(elements): comp_inst = self._get_component_class( component_or_selector)(self, find_by='index_position') comp_inst._index_position = idx components.append(comp_inst) return components def get_element(self, selector, driver=None): """Get the DOM element identified by the css selector""" return _wait_for_condition( ec.presence_of_element_located((By.CSS_SELECTOR, selector)), self, message='No element found with selector "{0}".'.format(selector), driver=driver ) def get_clickable_element(self, selector, driver=None): """Return an element that can be clicked, or raise an error""" return _wait_for_condition( ec.element_to_be_clickable((By.CSS_SELECTOR, selector)), self, message='No clickable element found with selector "{0}".'.format( selector), driver=driver ) def get_visible_element(self, selector): """Return an element that is visible, or raise an error""" return _wait_for_condition( ec.visibility_of_element_located((By.CSS_SELECTOR, selector)), self, message='No visible element found with selector "{0}".'.format( selector) ) def get_element_by_link_text(self, link_text): """Get the DOM element identified by the css selector""" return _wait_for_condition( ec.presence_of_element_located((By.LINK_TEXT, link_text)), self, message='No link with text "{0}".'.format(link_text) ) def get_elements(self, selector): """Get a list of elements identified by the css selector""" return _wait_for_condition( ec.presence_of_all_elements_located((By.CSS_SELECTOR, selector)), self ) def get_attribute(self, attribute): """Return the value of an attribute of the component""" return self._element.get_attribute(attribute) def wait_for_invisibility(self, selector): """Pause until the element identified by selector is invisible""" return _wait_for_condition( ec.invisibility_of_element_located((By.CSS_SELECTOR, selector)), self ) def text_in_element(self, selector, text): """Return whether the text is in the element identified by selector""" return _wait_for_condition( ec.text_to_be_present_in_element( (By.CSS_SELECTOR, selector), text), self, message='"{0}" not found in "{1}".'.format( text, self.get_component(selector).text) ) def has_text(self, text): """Return whether the text is in the component""" return _wait_for_condition( text_to_be_present_in_component(self, text), self, message='"{0}" not found in "{1}".'.format( text, self._element.text) ) def _click(self, component, opens=None): """Click an element and return an appropriate component or page component -- a keteparaha.page.Component opens -- a keteparaha.page.Component to initialise and return returns -- either a new Page object if the url changes, the initialised Component passed in as opens, or itself """ _wait_for_condition( component_to_be_clickable(component), component, message='"{0}" was never clickable'.format(self) ) component._element.click() if opens and isinstance(opens, basestring): # open is a string look it up in registry return self._registry(opens)(self) if opens and issubclass(opens, Component) and isclass(opens): # open is an Component class, use it return opens(self) if opens and isinstance(opens, Component): # open is an initialised component, use it return opens if self.url != self.location() and self.location() in self._registry: # We have a page with a simple url return self._registry(self.location())(driver=self._driver) if (not match_url(self.url, (self.location(),)) and match_url(self.location(), self._registry.keys())): # We have a page with a complex url that's in the registry match, args, kwargs = match_url( self.location(), self._registry.keys() ) page = self._registry[match](driver=self._driver) page.setup(*args, **kwargs) return page return self def click(self, selector=None, opens=None): """Main method for interacting with a page or component Returns either self, a new page object based on browser url, or a page component based on the selector passed in as 'opens'. selector can be a css selector in the form of a string, or a selenium WebElement. """ if isinstance(selector, basestring): # selector passed in, get component class from registry component = self._registry(selector)(self) return self._click(component, opens) elif isinstance(selector, Component) and isclass(selector): # We already have a component class, so just use it component = selector(self) return self._click(component, opens) elif isinstance(selector, Component) and not isclass(selector): # We already have an initalised component, so just use it component = selector return self._click(component, opens) elif selector is None: # We have no selector so click on yourself return self._click(self, opens) raise ValueError( 'selector, "{0}", not a string or Component instance.'.format( selector)) def click_link(self, link_text, opens=None): component = Component(self, find_by='link_text') component.selector = link_text return self._click(component, opens) def click_button(self, button_text, opens=None): """Find buttons on the page and click the first one with the text""" component = Component(self, find_by='button_text') component.selector = button_text return self._click(component, opens) def location(self): """The current page location without any query parameters""" return self.page._driver.current_url def select_option(self, selector, option_text): """Select option in dropdown identified by selector with given text""" def find_and_select(selector, option_text): return Select( self.get_element(selector) ).select_by_visible_text(option_text), retryable_find_and_select = flow.retry( find_and_select, exceptions.NoSuchElementException ) return retryable_find_and_select(selector, option_text) def scroll_into_view(self): """Scroll the window until the component is visible""" self._element.location_once_scrolled_into_view def clear(self, selector): """Clear text out of input identified by CSS selector""" try: self.get_visible_element(selector).clear() except (exceptions.InvalidElementStateException, exceptions.WebDriverException): raise exceptions.WebDriverException( 'You cannot clear that element') def hover(self, selector, opens=None): """Hover over element identified by CSS selector""" ActionChains(self._driver).move_to_element( self.get_element(selector)).perform() if opens: return self._get_component_class(opens)(self) def enter_text(self, selector, text): """Enter text into DOM element identified by selector The function performs some error checking because as of Jan 2014 send_keys on the element is unreliable at text entry. """ element = self.get_visible_element(selector) for _ in range(5): element.send_keys(*text) try: value_in_place = element.get_attribute("value") or element.text except exceptions.StaleElementReferenceException: return expected = "".join([unicode(v) for v in text]) if value_in_place == expected: return try: element.clear() except (exceptions.InvalidElementStateException, exceptions.WebDriverException): return # Element is not user editable and can't be cleared time.sleep(0.2) raise AssertionError("Unable to correctly type {0}".format(text)) class _WebElementProxy(object): """A proxy to the Selenium WebElement identified by obj's selector""" def __init__(self): self.selector = 'html' def __get__(self, obj, owner): selector = obj.selector if hasattr(obj, 'selector') else self.selector if obj._find_by == 'selector': try: return obj._driver.find_element_by_css_selector(selector) except exceptions.NoSuchElementException: return WebDriverWait(obj._driver, ELEMENT_TIMEOUT).until( ec.presence_of_element_located( ( By.CSS_SELECTOR, selector ) ), 'No element "{0}", waited {1} seconds'.format( selector, ELEMENT_TIMEOUT ) ) elif obj._find_by == 'button_text': for button in obj._driver.find_elements_by_tag_name("button"): if button.text == obj.selector and button.is_displayed(): return button raise AssertionError( "Could not find a button with the text '%s'" % (selector,) ) elif obj._find_by == 'link_text': try: return obj._driver.find_element_by_link_text(selector) except exceptions.NoSuchElementException: return WebDriverWait(obj._driver, ELEMENT_TIMEOUT).until( ec.presence_of_element_located( ( By.LINK_TEXT, selector ) ), 'No link with text "{0}", waited {1} seconds'.format( selector, ELEMENT_TIMEOUT ) ) elif obj._find_by == 'index_position': idx = obj._index_position return obj._driver.find_elements_by_css_selector(selector)[idx] else: raise ValueError('Element proxy needs to know how to find element') def __set__(self, obj, value): raise AttributeError() class WebDriverOnly(object): """This attribute must be a WebDriver instance""" def __set__(self, obj, value): if not isinstance(value, WebDriver): raise TypeError('driver must be an instance of WebDriver') self.driver = value def __get__(self, obj, owner): return self.driver class _BaseComponent(object): _element = _WebElementProxy() @property def text(self): """The visible text of the component""" return self._element.text class Component( with_metaclass(_RegistryMeta, _BaseComponent, _SeleniumWrapper)): """Generic page component, intended to be subclassed Pages and Components are stored in a registry and switched to dynamically class ShoppingBasket(Component): selector = '#shopping-basket' def remove_item(self, name): contents = self.get_components('tr') for item in contents: if name in item.text: item.click('.remove') return raise AssertionError('No item in basket called "{0}"'.format(name)) page = Page(driver) basket = page.click_link('Shopping Basket', opens=ShoppingBasket) # The following would also work identically: ## basket = page.click_link('Shopping Basket', opens='#shopping-basket') basket.remove_item('Buzz Lightyear') """ _registry = _Registry() selector = None def __repr__(self): output = '{0}(selector="{1}")'.format( self.__class__.__name__, self.selector) if self._find_by == 'index_position': output = output + '[{0}]'.format(self._index_position) return output def __init__(self, parent, driver=None, find_by='selector'): self._parent = parent self._find_by = find_by @property def _driver(self): return self._parent._element @property def page(self): if isinstance(self._parent, Page): return self._parent return self._parent.page @property def url(self): """The url of the page which the component is inside""" return self.page.url class Page( with_metaclass(_RegistryMeta, _BaseComponent, _SeleniumWrapper)): """Generic web page, intended to be subclassed Pages and Components are stored in a registry and switched to dynamically class LoginPage(Page): url = 'https://your-site.com/login def login(username, password): self.enter_text("input[name=username]", username) self.enter_text("input[name=password]", password) return self.click("input[type=submit]") """ _driver = WebDriverOnly() _registry = _Registry() def __init__(self, driver=None): self._find_by = 'selector' self.selector = 'html' try: self._driver = driver except TypeError: # Driver was a WebElement, not WebDriver self._driver = driver.parent if self.location() != self.url: self._driver.get(self.url) def setup(self, *args, **kwargs): raise NotImplementedError( 'Pages that implement a complex url need to implement a setup' 'method. This page is ' 'being passed args: {} and kwargs: ' '{}'.format(args, kwargs) ) @property def page(self): """Unifies the api for pages and components slightly""" return self
aychedee/keteparaha
keteparaha/page.py
Python
mit
20,391
[ "VisIt" ]
737afae2ac522035ab62f4a30fc1baa3ee3e3dd3329855c69c620f42926a3685
""" Beta diversity measures (:mod:`skbio.diversity.beta`) ===================================================== .. currentmodule:: skbio.diversity.beta This package contains helper functions for working with scipy's pairwise distance (``pdist``) functions in scikit-bio, and will eventually be expanded to contain pairwise distance/dissimilarity methods that are not implemented (or planned to be implemented) in scipy. The functions in this package currently support applying ``pdist`` functions to all pairs of samples in a sample by observation count or abundance matrix and returning an ``skbio.DistanceMatrix`` object. This application is illustrated below for a few different forms of input. Functions --------- .. autosummary:: :toctree: generated/ pw_distances pw_distances_from_table Examples -------- Create a table containing 7 OTUs and 6 samples: .. plot:: :context: >>> from skbio.diversity.beta import pw_distances >>> import numpy as np >>> data = [[23, 64, 14, 0, 0, 3, 1], ... [0, 3, 35, 42, 0, 12, 1], ... [0, 5, 5, 0, 40, 40, 0], ... [44, 35, 9, 0, 1, 0, 0], ... [0, 2, 8, 0, 35, 45, 1], ... [0, 0, 25, 35, 0, 19, 0]] >>> ids = list('ABCDEF') Compute Bray-Curtis distances between all pairs of samples and return a ``DistanceMatrix`` object: >>> bc_dm = pw_distances(data, ids, "braycurtis") >>> print(bc_dm) 6x6 distance matrix IDs: 'A', 'B', 'C', 'D', 'E', 'F' Data: [[ 0. 0.78787879 0.86666667 0.30927835 0.85714286 0.81521739] [ 0.78787879 0. 0.78142077 0.86813187 0.75 0.1627907 ] [ 0.86666667 0.78142077 0. 0.87709497 0.09392265 0.71597633] [ 0.30927835 0.86813187 0.87709497 0. 0.87777778 0.89285714] [ 0.85714286 0.75 0.09392265 0.87777778 0. 0.68235294] [ 0.81521739 0.1627907 0.71597633 0.89285714 0.68235294 0. ]] Compute Jaccard distances between all pairs of samples and return a ``DistanceMatrix`` object: >>> j_dm = pw_distances(data, ids, "jaccard") >>> print(j_dm) 6x6 distance matrix IDs: 'A', 'B', 'C', 'D', 'E', 'F' Data: [[ 0. 0.83333333 1. 1. 0.83333333 1. ] [ 0.83333333 0. 1. 1. 0.83333333 1. ] [ 1. 1. 0. 1. 1. 1. ] [ 1. 1. 1. 0. 1. 1. ] [ 0.83333333 0.83333333 1. 1. 0. 1. ] [ 1. 1. 1. 1. 1. 0. ]] Determine if the resulting distance matrices are significantly correlated by computing the Mantel correlation between them. Then determine if the p-value is significant based on an alpha of 0.05: >>> from skbio.stats.distance import mantel >>> r, p_value, n = mantel(j_dm, bc_dm) >>> print(r) -0.209362157621 >>> print(p_value < 0.05) False Compute PCoA for both distance matrices, and then find the Procrustes M-squared value that results from comparing the coordinate matrices. >>> from skbio.stats.ordination import PCoA >>> bc_pc = PCoA(bc_dm).scores() >>> j_pc = PCoA(j_dm).scores() >>> from skbio.stats.spatial import procrustes >>> print(procrustes(bc_pc.site, j_pc.site)[2]) 0.466134984787 All of this only gets interesting in the context of sample metadata, so let's define some: >>> import pandas as pd >>> try: ... # not necessary for normal use ... pd.set_option('show_dimensions', True) ... except KeyError: ... pass >>> sample_md = { ... 'A': {'body_site': 'gut', 'subject': 's1'}, ... 'B': {'body_site': 'skin', 'subject': 's1'}, ... 'C': {'body_site': 'tongue', 'subject': 's1'}, ... 'D': {'body_site': 'gut', 'subject': 's2'}, ... 'E': {'body_site': 'tongue', 'subject': 's2'}, ... 'F': {'body_site': 'skin', 'subject': 's2'}} >>> sample_md = pd.DataFrame.from_dict(sample_md, orient='index') >>> sample_md subject body_site A s1 gut B s1 skin C s1 tongue D s2 gut E s2 tongue F s2 skin <BLANKLINE> [6 rows x 2 columns] Now let's plot our PCoA results, coloring each sample by the subject it was taken from: >>> fig = bc_pc.plot(sample_md, 'subject', ... axis_labels=('PC 1', 'PC 2', 'PC 3'), ... title='Samples colored by subject', cmap='jet', s=50) .. plot:: :context: We don't see any clustering/grouping of samples. If we were to instead color the samples by the body site they were taken from, we see that the samples form three separate groups: >>> import matplotlib.pyplot as plt >>> plt.close('all') # not necessary for normal use >>> fig = bc_pc.plot(sample_md, 'body_site', ... axis_labels=('PC 1', 'PC 2', 'PC 3'), ... title='Samples colored by body site', cmap='jet', s=50) Ordination techniques, such as PCoA, are useful for exploratory analysis. The next step is to quantify the strength of the grouping/clustering that we see in ordination plots. There are many statistical methods available to accomplish this; many operate on distance matrices. Let's use ANOSIM to quantify the strength of the clustering we see in the ordination plots above, using our Bray-Curtis distance matrix and sample metadata. First test the grouping of samples by subject: >>> from skbio.stats.distance import anosim >>> results = anosim(bc_dm, sample_md, column='subject', permutations=999) >>> results['test statistic'] -0.4074074074074075 >>> results['p-value'] < 0.1 False The negative value of ANOSIM's R statistic indicates anti-clustering and the p-value is insignificant at an alpha of 0.1. Now let's test the grouping of samples by body site: >>> results = anosim(bc_dm, sample_md, column='body_site', permutations=999) >>> results['test statistic'] 1.0 >>> results['p-value'] < 0.1 True The R statistic of 1.0 indicates strong separation of samples based on body site. The p-value is significant at an alpha of 0.1. References ---------- .. [1] http://matplotlib.org/examples/mplot3d/scatter3d_demo.html """ # ---------------------------------------------------------------------------- # Copyright (c) 2013--, scikit-bio development team. # # Distributed under the terms of the Modified BSD License. # # The full license is in the file COPYING.txt, distributed with this software. # ---------------------------------------------------------------------------- from skbio.util import TestRunner from ._base import pw_distances, pw_distances_from_table __all__ = ["pw_distances", "pw_distances_from_table"] test = TestRunner(__file__).test
jensreeder/scikit-bio
skbio/diversity/beta/__init__.py
Python
bsd-3-clause
6,898
[ "scikit-bio" ]
652822557f82056d8c95f6c1f48b982b088ab799937a8ea238540708934a8530
# -*- coding: utf-8 -*- # cldomain is a Common Lisp domain for the Sphinx documentation tool. # Copyright (C) 2011-2014 Russell Sim <russell.sim@gmail.com> # This program is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later version. # This program is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # You should have received a copy of the GNU General Public License # along with this program. If not, see <http://www.gnu.org/licenses/>. """ sphinxcontrib.cldomain ~~~~~~~~~~~~~~~~~~~~~~ The Common Lisp domain """ import re import os import sys from os import path import tempfile import json from collections import defaultdict import operator import subprocess try: from StringIO import StringIO except ImportError: from io import StringIO from docutils import nodes from docutils.statemachine import string2lines, StringList import pprint from sphinx import addnodes from sphinx.util.console import red from sphinx.locale import l_, _ from sphinx.roles import XRefRole from sphinx.domains import Domain, ObjType from sphinx.directives import ObjectDescription from sphinx.util.nodes import make_refnode from sphinx.util.compat import Directive from sphinx.util.docfields import Field, GroupedField __version__ = open(path.join(path.dirname(__file__), "version.lisp-expr")).read().strip('"') ALL_TYPES = ["macro", "function", "genericFunction", "setf", "variable", "type"] upper_symbols = re.compile("([^a-z\s\"`]*[A-Z]{2,}[^a-z\s\"`:]*)($|\s)") DOC_STRINGS = defaultdict(dict, {}) TYPES = defaultdict(dict, {}) ARGS = defaultdict(dict, {}) METHODS = defaultdict(dict, {}) SLOTS = defaultdict(dict, {}) USED_SYMBOLS = defaultdict(dict, {}) lambda_list_keywords = ["&allow-other-keys", "&key", "&rest", "&aux", "&optional"] def node_to_dict(node): name = getattr(node, 'tagname', node) if getattr(node, 'rawsource', None): return {name: node.rawsource} nodes = {name: []} for child in node.children: nodes[name].append(node_to_dict(child)) return nodes def debug_print(node): """Useful in pdb sessions""" node = node_to_dict(node) pprint.pprint(node) def record_use(package, symbol_name, objtype): """Record unused package symbols.""" symbol = symbol_name.upper() USED_SYMBOLS[package].setdefault(symbol, []).append(objtype) def bool_option(arg): """Used to convert flag options to directives. (Instead of directives.flag(), which returns None). """ return True # An almost exact copy of Peter Norvig's scheme parser # http://norvig.com/lispy.html def _read(s): "Read a Scheme expression from a string." return _read_from(_tokenize(s)) def _tokenize(s): "Convert a string into a list of tokens." return s.replace('(', ' ( ').replace(')', ' ) ').split() def _read_from(tokens): "Read an expression from a sequence of tokens." if len(tokens) == 0: raise SyntaxError('unexpected EOF while reading') token = tokens.pop(0) if '(' == token: L = [] while tokens[0] != ')': L.append(_read_from(tokens)) tokens.pop(0) # pop off ')' return L elif ')' == token: raise SyntaxError('unexpected )') else: return token # end of http://norvig.com/lispy.html def parse_specializer_symbol(symbol, package): """Parse symbols, for specializers""" symbol = symbol.upper() if symbol.startswith(":"): return "KEYWORD" + symbol # TODO (RS) this needs to be smarter what happens if there is an # internal symbol instead of an external one? if ":" not in symbol: return package + ":" + symbol return symbol class desc_clparameterlist(addnodes.desc_parameterlist): """Node for a common lisp parameter list.""" child_text_separator = ' ' # v is short for visit # d is short for depart def v_clparameterlist(self, node): self.first_param = True self.body.append(' ') self.body.append('(') self.param_separator = node.child_text_separator def d_clparameterlist(self, node): self.body.append(')') def v_latex_clparameterlist(self, node): self.body.append('}{') self.first_param = True self.param_separator = node.child_text_separator def d_latex_clparameterlist(self, node): self.body.append('}{') class desc_clparameter(addnodes.desc_parameter): """Node for a common lisp parameter item.""" def d_clparameter(self, node): pass def v_html_clparameter(self, node): if self.body[-1] != ('('): self.body.append(self.param_separator) if node.hasattr('lambda_keyword'): self.body.append('<em class="lambda_keyword text-muted">') elif node.hasattr('keyword'): self.body.append('<em class="keyword text-muted">') elif not node.hasattr('noemph'): self.body.append('<em>') def d_html_clparameter(self, node): if node.hasattr('lambda_keyword'): self.body.append('</em>') elif node.hasattr('keyword'): self.body.append('</em>') elif not node.hasattr('noemph'): self.body.append('</em>') def v_latex_clparameter(self, node): if not self.first_param: self.body.append(self.param_separator) else: self.first_param = False if not node.hasattr('noemph'): self.body.append(r'\emph{') def d_latex_clparameter(self, node): if not node.hasattr('noemph'): self.body.append('}') def v_texinfo_clparameter(self, node): if not self.first_param: self.body.append(self.param_separator) else: self.first_param = False text = self.escape(node.astext()) # replace no-break spaces with normal ones text = text.replace(u' ', '@w{ }') self.body.append(text) raise nodes.SkipNode def v_text_clparameter(self, node): if not self.first_param: self.add_text(self.param_separator) else: self.first_param = False self.add_text(node.astext()) raise nodes.SkipNode def v_bs_html_desc_type(self, node): self.body.append(self.param_separator) self.body.append(self.starttag(node, 'tt', '', CLASS='desc-type')) def d_bs_html_desc_type(self, node): self.body.append('</tt>') def v_html_desc_type(self, node): self.body.append(self.param_separator) def specializer(symbol, sexp, state, package, node_type=nodes.inline): result = StringIO() result.write("(") first = True for atom in sexp: if first: first = False else: result.write(" ") if atom.startswith("KEYWORD:"): result.write("(EQL :%s)" % atom.split(":")[-1]) else: result.write(atom) result.write(" ") result.write(")") result.seek(0) xref = ':cl:generic:`%s <%s:%s>`' % \ (result.read().lower(), package, symbol) lines = string2lines(xref) node = node_type() state.nested_parse(StringList(lines), 0, node) return node def specializer_xref(symbol, sexp, state, package, node_type=nodes.inline): result = StringIO() first = True for atom in sexp: if first: first = False else: result.write(" ") if atom.startswith("KEYWORD:"): result.write("(EQL :%s)" % atom.split(":")[-1]) elif package: if atom.startswith(package + ":"): result.write(atom.split(":")[-1]) else: result.write(atom) else: result.write(atom) target = " ".join([a.lower() for a in sexp]) node = node_type() result.seek(0) xref = ":cl:method:`(%s) <%s %s>`" % \ (result.read().lower(), symbol, target) lines = string2lines(xref) state.nested_parse(StringList(lines), 0, node) return node def qualify_sexp(package, sexp): """If the sexp contains atoms that don't have a package then qualify them. """ sexp_ret = [] for atom in sexp: if atom.startswith(":"): sexp_ret.append("keyword" + atom) elif ":" in atom: sexp_ret.append(atom) else: sexp_ret.append(package + ":" + atom) return sexp_ret def fieldlist_index(node): """Find the index of a field list in a content node.""" for i, n in enumerate(node): if isinstance(n, nodes.field_list): return i def get_content_node(node): """Search through and find the content node from a signature.""" for subnode in node: if isinstance(subnode, addnodes.desc): for subsubnode in subnode: if isinstance(subsubnode, addnodes.desc_content): return subsubnode class SpecializerField(Field): """ """ is_grouped = True list_type = nodes.bullet_list def __init__(self, name, names=(), label=None, rolename=None, can_collapse=False): Field.__init__(self, name, names, label, True, rolename) self.can_collapse = can_collapse def make_field(self, domain, items): fieldname = nodes.field_name('', self.label) listnode = self.list_type() for content in items: par = nodes.paragraph() par += content listnode += nodes.list_item('', par) fieldbody = nodes.field_body('', listnode) return nodes.field('', fieldname, fieldbody) class SEXP(object): def __init__(self, sexp, types=None, show_defaults=False): if not isinstance(sexp, list): self.sexp = _read(sexp) else: self.sexp = sexp self.types = types if self.types: for i, type in enumerate(self.types): type_node = addnodes.pending_xref( '', refdomain='cl', reftype='type', reftarget=type) # type = " " + type type_node += addnodes.desc_type(type, type) self.sexp[i] = [self.sexp[i], type_node] self.show_defaults = show_defaults self.show_defaults = True def as_parameterlist(self, function_name): return self.render_parameterlist(prepend_node=function_name) def render_parameterlist(self, signode=None, prepend_node=None, sexp=None): desc_sexplist = desc_clparameterlist() if prepend_node: desc_sexplist.append(prepend_node) if signode: signode.append(desc_sexplist) symbol = False for atom in sexp or self.sexp: if isinstance(atom, list): if self.show_defaults: symbol = self.render_parameterlist(signode=desc_sexplist, sexp=atom) else: symbol = self.render_atom(atom[0], desc_sexplist) else: symbol = self.render_atom(atom, desc_sexplist) return desc_sexplist def render_atom(self, token, signode, noemph=True): "add syntax hi-lighting to interesting atoms" if not isinstance(token, nodes.Element): param = desc_clparameter(token, token) if token.lower() in lambda_list_keywords: param["lambda_keyword"] = True if token.startswith(":"): param["keyword"] = True else: param = token signode.append(param) class CLsExp(ObjectDescription): doc_field_types = [ GroupedField('parameter', label=l_('Parameters'), names=('param', 'parameter', 'arg', 'argument', 'keyword', 'kwparam')), Field('returnvalue', label=l_('Returns'), has_arg=False, names=('returns', 'return')), ] option_spec = { 'nodoc': bool_option, 'noindex': bool_option, 'noinitargs': bool_option, } def handle_signature(self, sig, signode): symbol_name = [] package = self.env.temp_data.get('cl:package') objtype = self.get_signature_prefix(sig) sig_split = sig.split(" ") sig = sig_split[0] signode.append(addnodes.desc_annotation(objtype, objtype)) lisp_args = ARGS[package].get(sig.upper(), "") function_name = addnodes.desc_name(sig, sig) if not lisp_args.strip() and self.objtype in ["function"]: lisp_args = "()" if lisp_args.strip(): types = [] if self.objtype in ["method"]: types = self.arguments[0].split(' ')[1:] sexp = SEXP(lisp_args, types=types, show_defaults=self.env.app.config.cl_show_defaults) arg_list = sexp.as_parameterlist(function_name) signode.append(arg_list) else: signode.append(function_name) # Add Slots slots = SLOTS[package].get(sig.upper()) if slots and "noinitargs" not in self.options: # TODO add slot details if describing a class for slot in slots: initarg = slot.get(u'initarg') if initarg and initarg.lower() != 'nil': slotarg = addnodes.literal_emphasis(slot.get(u'name'), slot.get(u'name')) slotsig = initarg.lower() + u' ' signode.append(addnodes.desc_optional(slotsig, slotsig, slotarg)) symbol_name = sig if not symbol_name: raise Exception("Unknown symbol type for signature %s" % sig) record_use(package, symbol_name, self.objtype) return objtype.strip(), symbol_name def get_field_list(self, node): """Return the node's field list, if there isn't one then create it first.""" # Add a field list if there isn't one if not node[1][-1].children: node[1][-1].append(nodes.field_list()) if not isinstance(node[1][-1][0], nodes.field_list): node[1][-1].append(nodes.field_list()) return node[1][-1][-1] def get_index_text(self, name, type): return _('%s (Lisp %s)') % (name.lower().split(":")[-1], type) def get_index_name(self, name, type): return type + ":" + name def get_signature_prefix(self, sig): return self.objtype + ' ' def cl_symbol_name(self): return self.names[0][1].upper() def add_target_and_index(self, name, sig, signode): # node target type, name = name if 'cl:package' in self.env.temp_data: package = self.options.get( 'module', self.env.temp_data.get('cl:package')) name = package.lower() + ":" + name else: return indexname = self.get_index_name(name, type) if name not in self.state.document.ids: signode['names'].append(name) signode['ids'].append(indexname) signode['first'] = (not self.names) self.state.document.note_explicit_target(signode) inv = self.env.domaindata['cl']['symbols'] # TODO (RS) reenable this checking based on doc and type. # if name in inv: # self.state_machine.reporter.warning( # 'duplicate symbol description of %s, ' % name + # 'other instance in ' + self.env.doc2path(inv[name][0]), # line=self.lineno) if name in inv: inv[name].append((self.env.docname, self.objtype)) else: inv[name] = [(self.env.docname, self.objtype)] indextext = self.get_index_text(name, type) if indextext: self.indexnode['entries'].append( ('single', indextext, indexname, '', None) ) def before_content(self): if "nodoc" in self.options: return package = self.env.temp_data.get('cl:package') name = self.names[0][1] if not package: self.state_machine.reporter.warning("No package specified for symbol %s." % name) return try: string = self.cl_doc_string() except KeyError: string = "" self.state_machine.reporter.warning("Can't find symbol %s:%s" % (package, name)) if not string: return lines = string2lines(string) + [''] self.content = StringList(lines) + self.content def cl_doc_string(self, objtype=None): """Resolve a symbols doc string. Will raise KeyError if the symbol can't be found. """ package = self.env.temp_data.get('cl:package') name = self.cl_symbol_name() objtype = objtype or self.objtype possible_strings = DOC_STRINGS[package][name] string = possible_strings.get(objtype, "") return string class CLGeneric(CLsExp): option_spec = { 'nodoc': bool_option, 'noindex': bool_option, 'nospecializers': bool_option, } def run_add_specializers(self, result): package = self.env.temp_data.get('cl:package') name = self.cl_symbol_name() specializers = METHODS[package].get(name, {}).keys() if specializers: spec = nodes.bullet_list() for s in specializers: spec_xref = specializer_xref(package + ":" + name, s, self.state, package) item = nodes.list_item('', spec_xref) spec.append(item) field_list = self.get_field_list(result) field_list.append( nodes.field('', nodes.field_name('', "Specializers"), nodes.field_body('', spec))) return result def run(self): result = super(CLGeneric, self).run() if "nospecializers" not in self.options: self.run_add_specializers(result) return result class CLMethod(CLGeneric): option_spec = { 'nodoc': bool_option, 'noindex': bool_option, 'noinherit': bool_option, 'nospecializers': bool_option, 'linkgeneric': bool_option, } doc_field_types = [ Field('specializer', label=l_('Specializer'), has_arg=False, names=('specializer')), GroupedField('parameter', label=l_('Parameters'), names=('param', 'parameter', 'arg', 'argument', 'keyword', 'kwparam')), Field('returnvalue', label=l_('Returns'), has_arg=False, names=('returns', 'return')), ] def get_index_name(self, name, type): package = self.env.temp_data.get('cl:package') specializer = self.arguments spec_args = qualify_sexp(package, specializer[0].split(" ")[1:]) specializer = " ".join(spec_args) return type + ":" + name + "(" + specializer.lower() + ")" def get_index_text(self, name, type): specializer = self.arguments spec_args = specializer[0].split(" ")[1:] specializer = " ".join(spec_args) return _('%s (%s) (Lisp %s)') % (name.lower().split(":")[-1], specializer.lower(), type) def add_target_and_index(self, name, sig, signode): # node target type, name = name if 'cl:package' in self.env.temp_data: package = self.options.get( 'module', self.env.temp_data.get('cl:package')) name = package.lower() + ":" + name else: return indexname = self.get_index_name(name, type) if name not in self.state.document.ids: signode['names'].append(name) signode['ids'].append(indexname) signode['first'] = (not self.names) self.state.document.note_explicit_target(signode) inv = self.env.domaindata['cl']['methods'] # TODO (RS) reenable this checking based on doc and type. # if name in inv: # self.state_machine.reporter.warning( # 'duplicate symbol description of %s, ' % name + # 'other instance in ' + self.env.doc2path(inv[name][0]), # line=self.lineno) sig = " ".join(qualify_sexp(package.lower(), sig.split(" ")[1:])) # trim method name if name in inv: inv[name][sig] = (self.env.docname, self.objtype) else: inv[name] = {sig: (self.env.docname, self.objtype)} indextext = self.get_index_text(name, type) if indextext: self.indexnode['entries'].append( ('single', indextext, indexname, '', None) ) def cl_doc_string(self): """Resolve a symbols doc string. Will raise KeyError if the symbol can't be found. """ package = self.env.temp_data.get('cl:package') name = self.cl_symbol_name() specializer = self.arguments spec = specializer[0].split(" ")[1:] method_doc = METHODS[package].get(name, {}) key = tuple([parse_specializer_symbol(sym, package) for sym in spec]) if key not in method_doc: self.state_machine.reporter.warning("Can't find method %s:%s specializer %s, available specializers are %s" % (package, name, key, method_doc.keys())) doc = method_doc.get(key, "") if doc: return doc if "noinherit" not in self.options: return super(CLMethod, self).cl_doc_string("generic") return "" def run(self): result = super(CLMethod, self).run() field_list = self.get_field_list(result) package = self.env.temp_data.get('cl:package') if "linkgeneric" in self.options: # TODO (RS) this will probably be removed in the future. spec = specializer(self.cl_symbol_name(), self.arguments[0].split()[1:], self.state, package=package) field_list.append( nodes.field('', nodes.field_name('', "Specializer"), nodes.field_body('', spec))) return result class CLCurrentPackage(Directive): """This directive is just to tell Sphinx that we're documenting stuff in namespace foo. """ has_content = False required_arguments = 1 optional_arguments = 0 final_argument_whitespace = True option_spec = {} def run(self): env = self.state.document.settings.env env.temp_data['cl:package'] = self.arguments[0].upper() #index_package(self.arguments[0].upper()) return [] class CLXRefRole(XRefRole): def process_link(self, env, refnode, has_explicit_title, title, target): if not has_explicit_title: target = target.lstrip('~') # only has a meaning for the title # if the first character is a tilde, don't display the package if title[0:1] == '~': symbol = title[1:].split(':') package = symbol[0] title = symbol[-1] if target[0] == ":": title = ":" + title return title, target class CLDomain(Domain): """CL language domain.""" name = 'cl' label = 'Common Lisp' object_types = { 'package': ObjType(l_('package'), 'package'), 'function': ObjType(l_('function'), 'function'), 'macro': ObjType(l_('macro'), 'macro'), 'variable': ObjType(l_('variable'), 'variable'), 'type': ObjType(l_('type'), 'type'), 'generic': ObjType(l_('generic'), 'generic'), 'method': ObjType(l_('method'), 'method'), } directives = { 'package': CLCurrentPackage, 'function': CLsExp, 'generic': CLGeneric, 'macro': CLsExp, 'variable': CLsExp, 'type': CLsExp, 'method': CLMethod, } roles = { 'symbol': CLXRefRole(), 'function': CLXRefRole(), 'generic': CLXRefRole(), 'macro': CLXRefRole(), 'variable': CLXRefRole(), 'type': CLXRefRole(), 'method': CLXRefRole(), } initial_data = { 'symbols': {}, 'methods': {}, } def clear_doc(self, docname): for fullname, docs in self.data['symbols'].items(): for (fn, _) in docs: if fn == docname: del self.data['symbols'][fullname] def find_obj(self, env, name): """Find a Lisp symbol for "name", perhaps using the given package Return a list of (name, object entry) tuples. """ symbols = self.data['symbols'] name = name.lower() if ":" in name: if name in symbols: return [(name, symbols[name])] else: def filter_symbols(symbol): symbol = symbol[0] if name == symbol: return True if ":" in symbol: symbol = symbol.split(":")[1] if name == symbol: return True return False return filter(filter_symbols, symbols.items()) def find_method(self, env, name, node): """Find a Lisp symbol for "name", perhaps using the given package Return a list of (name, object entry) tuples. """ methods = self.data['methods'] name = name.lower() sexp = name.split(" ") generic = sexp[0] specializer = " ".join(sexp[1:]) if generic in methods: if specializer in methods[generic]: return [methods[generic][specializer]] else: env.warn_node('can\'t find method %s' % (name), node) else: env.warn_node('can\'t find generic %s' % (name), node) def resolve_xref(self, env, fromdocname, builder, typ, target, node, contnode): if " " in target: matches = self.find_method(env, target.upper(), node) else: matches = self.find_obj(env, target.upper()) if not matches: return None elif len(matches) > 1: env.warn_node( 'more than one target found for cross-reference ' '%r: %s' % (target, ', '.join(match[0] for match in matches)), node) # TODO (RS) this just chooses the first symbol, instead every # symbol should be presented. if " " in target: sexp = target.split(" ") generic = sexp[0].lower() specializer = " ".join(sexp[1:]) name = generic filename = matches[0][0] # the first filename link = "method" + ":" + generic + "(" + specializer + ")" else: name = matches[0][0] # the symbol name filename = matches[0][1][0][0] # the first filename type = matches[0][1][0][1] # the first type link = type + ":" + name return make_refnode(builder, fromdocname, filename, link, contnode, name) def get_symbols(self): for refname, docs in self.data['symbols'].iteritems(): for (docname, type) in docs: yield (refname, refname, type, docname, refname, 1) def save_cldomain_output(output): """Save a copy of the clgit output for debugging.""" fd, path = tempfile.mkstemp('.log', 'cldomain-err-') os.write(fd, output.encode('utf-8')) os.close(fd) return path def index_packages(systems, system_paths, packages, quicklisp, lisps, cl_debug): """Call an external lisp program that will return a dictionary of doc strings for all public symbols. """ cl_launch_exe = [which("cl-launch")[0]] cl_launch_command = cl_launch_args(lisps) cldomain_args = ["--"] for package in packages: cldomain_args.extend(["--package", package]) for system in systems: cldomain_args.extend(["--system", system]) for system_path in system_paths: cldomain_args.extend(["--path", system_path]) env = os.environ.copy() env.update({"CLDOMAIN": path.abspath(path.dirname(__file__)) + "/", "QUICKLISP": quicklisp}) raw_output = subprocess.check_output(cl_launch_exe + cl_launch_command + cldomain_args, env=env) output = "\n".join([line for line in raw_output.split("\n") if not line.startswith(";")]) try: lisp_data = json.loads(output) if cl_debug: pprint.pprint(lisp_data) except: dump_path = save_cldomain_output(raw_output) error = sys.stderr print >>error, red('A error occurred with the json output from cldomain\'s' ' lisp inspector, this has been dumped to %s if you ' 'intend on submitting a bug please include this file ' 'with the sphinx error log.' % dump_path) raise for k, v in lisp_data.items(): symbol_name = k.split(':') package, name = symbol_name[0], symbol_name[-1] # extract doc strings DOC_STRINGS[package][name] = {} for type in ALL_TYPES: if type not in v: continue # XXX This isn't the best, the objtype is generic but the # docstring will be under genericFunction because of the JSON # encoder and changing the directive name doesn't seem to help # either. if type == "genericFunction": cl_type = "generic" else: cl_type = type # enable symbol references for symbols DOC_STRINGS[package][name][cl_type] = v[type] # extract methods if "methods" in v: def parse_method(method): sexp = [] for atom in json.loads(method): if atom.startswith("("): eql = _read(atom) sexp.append(eql[-1]) else: sexp.append(atom) return tuple(sexp) def parse_doc(doc): if doc is None: doc = "" return doc methods = dict([(parse_method(method), parse_doc(doc)) for method, doc in v["methods"].items()]) METHODS[package][name] = methods # extract slots if "slots" in v: SLOTS[package][name] = v["slots"] def lower_symbols(text): if '"' in text: return text symbol_name = text.split(':') if len(symbol_name) > 1: spackage, symbol = symbol_name[0], symbol_name[-1] else: spackage = '' symbol = '' if spackage.upper() in packages: return symbol.lower() return text.lower() # extract arguments packages = map(operator.methodcaller('upper'), packages) for k, v in lisp_data.items(): spackage, symbol = k.split(':') if not v.get("arguments"): pass elif v["arguments"] == "NIL": ARGS[spackage][symbol] = "" else: v_arg = v["arguments"].replace('(', ' ( ').replace(')', ' ) ') ARGS[spackage][symbol] = " ".join(map(lower_symbols, v_arg.split(" "))) def load_packages(app): packages = [] systems = [] system_paths = [] if app.config.cl_packages: app.info("DEPRECATED: The cl_packages variable has been " "replaced by cl_systems and will be removed in the future.") for package, system_path in app.config.cl_packages.iteritems(): packages.append(package.upper()) systems.append(package) system_paths.append(system_path) if app.config.cl_systems: for system in app.config.cl_systems: systems.append(system['name']) if 'path' in system: system_paths.append(system['path']) if 'packages' in system: for package in system['packages']: packages.append(package.upper()) else: packages.append(system['name'].upper()) if not packages: app.warn("No CL packages specified.") return app.info("Collecting Lisp docstrings from %s..." % ', '.join(str(x) for x in systems)) index_packages(systems, system_paths, packages, app.config.cl_quicklisp, app.config.cl_lisps, app.config.cl_debug) def uppercase_symbols(app, docname, source): """For each line in a list replace all uppercase symbols with a sphinx references""" for i, line in enumerate(source): source[i] = re.sub(upper_symbols, ":cl:symbol:`~\g<1>`\g<2>", line) def list_unused_symbols(app, exception): if exception: return # TODO (RS) this initial implementation will not be able to detect # if each method specialisation has been used. for p, sym_doc in DOC_STRINGS.items(): for s, docs in sym_doc.items(): for objtype in docs.keys(): if s in USED_SYMBOLS[p]: if objtype == "genericFunction": objtype = "generic" if objtype not in USED_SYMBOLS[p][s]: app.warn("Unused symbol doc %s:%s type %s" % (p, s, objtype)) else: app.warn("Unused symbol doc %s:%s type %s" % (p, s, objtype)) def add_node(class_name, node, visit, depart=None): """Register a node's visitor functions with a class, if is available. """ def import_class(cl): d = cl.rfind(".") classname = cl[d+1:len(cl)] m = __import__(cl[0:d], globals(), locals(), [classname]) return getattr(m, classname) try: translator = import_class(class_name) except (ImportError, AttributeError): return setattr(translator, 'visit_' + node.__name__, visit) if depart: setattr(translator, 'depart_'+node.__name__, depart) add_node('sphinx_bootstrap_theme.BootstrapTranslator', desc_clparameterlist, v_clparameterlist, d_clparameterlist) add_node('sphinx_bootstrap_theme.BootstrapTranslator', desc_clparameter, v_html_clparameter, d_html_clparameter) add_node('sphinx_bootstrap_theme.BootstrapTranslator', addnodes.desc_type, v_bs_html_desc_type, d_bs_html_desc_type) add_node('sphinx.writers.html.HTMLTranslator', addnodes.desc_type, v_html_desc_type) def setup(app): app.add_domain(CLDomain) app.add_node(desc_clparameterlist, html=(v_clparameterlist, d_clparameterlist), latex=(v_latex_clparameterlist, d_latex_clparameterlist), texinfo=(v_clparameterlist, d_clparameterlist), text=(v_clparameterlist, d_clparameterlist)) app.add_node(desc_clparameter, html=(v_html_clparameter, d_html_clparameter), latex=(v_latex_clparameter, d_latex_clparameter), texinfo=(v_texinfo_clparameter, d_clparameter), text=(v_text_clparameter, d_clparameter)) app.add_config_value('cl_packages', {}, 'env') app.add_config_value('cl_systems', [], 'env') app.add_config_value('cl_quicklisp', path.expandvars("$HOME/quicklisp"), 'env') app.add_config_value('cl_show_defaults', False, True) app.add_config_value('cl_lisps', None, 'env') app.add_config_value('cl_debug', False, 'env') app.connect('builder-inited', load_packages) app.connect('build-finished', list_unused_symbols) #app.connect('source-read', uppercase_symbols) def which(name, flags=os.X_OK): """https://twistedmatrix.com/trac/browser/tags/releases/twisted-8.2.0/twisted/python/procutils.py""" result = [] exts = filter(None, os.environ.get('PATHEXT', '').split(os.pathsep)) path = os.environ.get('PATH', None) if path is None: return [] for p in os.environ.get('PATH', '').split(os.pathsep): p = os.path.join(p, name) if os.access(p, flags): result.append(p) for e in exts: pext = p + e if os.access(pext, flags): result.append(pext) return result def cl_launch_args(lisps=None, package='sphinxcontrib.cldomain', main_function="sphinxcontrib.cldomain:main"): quicklisp = """ #-quicklisp (let ((quicklisp-init (merge-pathnames (make-pathname :name "setup" :type "lisp") (concatenate 'string (uiop/os:getenv "QUICKLISP") "/")))) (if (probe-file quicklisp-init) (load quicklisp-init) (error "Can't Find Quicklisp at ~a~%" quicklisp-init))) """ system = """ (push (pathname (concatenate 'string (uiop/os:getenv \"CLDOMAIN\") \"/\")) asdf:*central-registry*) """ quickload = """ (let ((*standard-output* *error-output*)) (quicklisp:quickload '%s)) """ % package args = [] if lisps: args.extend(["--lisp", lisps]) args.extend(["--init", quicklisp, "--init", system, "--init", "(asdf:initialize-source-registry)", "--init", "(asdf:require-system :quicklisp)", "--init", quickload, "--init", "(%s)" % main_function]) return args
russell/sphinxcontrib-cldomain
sphinxcontrib/cldomain.py
Python
gpl-3.0
38,578
[ "VisIt" ]
e5efe447587e3da61f8246f47c1f66119b8ef65f2d014f355ea386648278b300
from sklearn.linear_model import LinearRegression as _sklearn_LinearRegression from sklearn.gaussian_process import GaussianProcessRegressor from sklearn import preprocessing from sklearn.base import TransformerMixin from sklearn.gaussian_process.kernels import RBF, ConstantKernel as C, RationalQuadratic as RQ from sklearn.base import RegressorMixin, BaseEstimator from sklearn.model_selection import cross_val_score, cross_val_predict from sklearn.preprocessing import StandardScaler from sklearn.metrics import r2_score from sklearn.feature_selection import SelectKBest from sklearn.feature_selection import f_regression, mutual_info_regression from sklearn.exceptions import DataConversionWarning from sklearn.linear_model import LinearRegression from sklearn.pipeline import make_pipeline from .selectors import SelectNAndKBest from . import feature_concat from . import LinearAndGaussianProcessRegression, GaussianProcessRegressor_, ignore_warnings import numpy, pandas import scipy.stats import warnings import contextlib from sklearn.multioutput import MultiOutputRegressor as MultiOutputRegressor_ class CrossValMixin: def cross_val_scores(self, X, Y, cv=3): p = self.cross_val_predict(X, Y, cv=cv) return pandas.Series( r2_score(Y, p, sample_weight=None, multioutput='raw_values'), index=Y.columns ) def cross_val_predict(self, X, Y, cv=3): if isinstance(Y, pandas.DataFrame): self.Y_columns = Y.columns Yix = Y.index elif isinstance(Y, pandas.Series): self.Y_columns = [Y.name] Yix = Y.index else: self.Y_columns = ["Untitled" * Y.shape[1]] Yix = pandas.RangeIndex(Y.shape[0]) with ignore_warnings(DataConversionWarning): p = cross_val_predict(self, X, Y, cv=cv) return pandas.DataFrame(p, columns=self.Y_columns, index=Yix) class MultiOutputRegressor( MultiOutputRegressor_, CrossValMixin ): pass class SingleTargetRegression( BaseEstimator, RegressorMixin, ): def __init__(self, core_features=None, keep_other_features=3, detrend=True, expected_features=None): """ Parameters ---------- core_features feature columns to definitely keep for both LR and GPR """ self.core_features = core_features self.keep_other_features = keep_other_features self.lr = LinearRegression() self.gpr = GaussianProcessRegressor_(n_restarts_optimizer=9) self.y_residual = None self.kernel_generator = lambda dims: C() * RBF([1.0] * dims) self.use_linear = detrend self.expected_features = expected_features def _feature_selection(self, X, y=None): """ Parameters ---------- X : pandas.DataFrame y : ndarray If given, the SelectKBest feature selector will be re-fit to find the best features. If not given, then the previously fit SelectKBest will be used; if it has never been fit, an error is raised. Returns ------- pandas.DataFrame Contains all the core features plus the K best other features. """ if not isinstance(X, pandas.DataFrame): #raise TypeError('must use pandas.DataFrame for X') X = pandas.DataFrame(X, columns=self.expected_features) if self.core_features is None: return X X_core = X.loc[:,self.core_features] X_other = X.loc[:, X.columns.difference(self.core_features)] if X_other.shape[1] <= self.keep_other_features: return X # If self.keep_other_features is zero, there is no feature selecting to do and we return only the core. if self.keep_other_features == 0: return X_core if y is not None: self.feature_selector = SelectKBest(mutual_info_regression, k=self.keep_other_features).fit(X_other, y) X_other = pandas.DataFrame( self.feature_selector.transform(X_other), columns=X_other.columns[self.feature_selector.get_support()], index=X_other.index, ) return pandas.concat([X_core, X_other], axis=1) def fit(self, X, y): """ Fit linear and gaussian model. Parameters ---------- X : numpy array or sparse matrix of shape [n_samples, n_features] Training data y : numpy array of shape [n_samples, n_targets] Target values. Returns ------- self : returns an instance of self. """ # print("META FIT on",len(X)) if not isinstance(X, pandas.DataFrame): #raise TypeError('must use pandas.DataFrame for X') X = pandas.DataFrame(X, columns=self.expected_features) with ignore_warnings(DataConversionWarning): if isinstance(y, pandas.DataFrame): self.Y_columns = y.columns elif isinstance(y, pandas.Series): self.Y_columns = [y.name] else: self.Y_columns = None X_core_plus = self._feature_selection(X, y) if self.use_linear: self.lr.fit(X_core_plus, y) self.y_residual = y - self.lr.predict(X_core_plus) else: self.y_residual = y dims = X_core_plus.shape[1] self.gpr.kernel = self.kernel_generator(dims) self.gpr.fit(X_core_plus, self.y_residual) # print(self.y_residual.values[0]) return self def predict(self, X, return_std=False, return_cov=False): """Predict using the model Parameters ---------- X : {array-like, sparse matrix}, shape = (n_samples, n_features) Samples. Returns ------- C : array, shape = (n_samples,) Returns predicted values. """ if not isinstance(X, pandas.DataFrame): #raise TypeError('must use pandas.DataFrame for X') X = pandas.DataFrame(X, columns=self.expected_features) X_core_plus = self._feature_selection(X) if self.use_linear: y_hat_lr = self.lr.predict(X=X_core_plus) else: y_hat_lr = 0 if return_std: y_hat_gpr, y_hat_std = self.gpr.predict(X_core_plus, return_std=True) if self.Y_columns is not None: y_result = pandas.DataFrame( y_hat_lr + y_hat_gpr, columns=self.Y_columns, index=X.index, ) else: y_result = y_hat_lr + y_hat_gpr return y_result, y_hat_std else: y_hat_gpr = self.gpr.predict(X_core_plus) if self.Y_columns is not None: y_result = pandas.DataFrame( y_hat_lr + y_hat_gpr, columns=self.Y_columns, index=X.index, ) else: y_result = y_hat_lr + y_hat_gpr return y_result def cross_val_scores(self, X, Y, cv=3): p = self.cross_val_predict(X, Y, cv=cv) return pandas.Series( r2_score(Y, p, sample_weight=None, multioutput='raw_values'), index=Y.columns ) def cross_val_predict(self, X, y, cv=3): with ignore_warnings(DataConversionWarning): X_core_plus = self._feature_selection(X, y) total = cross_val_predict(self, X_core_plus, y, cv=cv) return pandas.DataFrame( total, index=y.index, columns=y.columns, ) def SingleTargetRegressions(*args, **kwargs): return MultiOutputRegressor(GaussianProcessRegressor_(*args, **kwargs)) class ChainedTargetRegression( BaseEstimator, RegressorMixin, CrossValMixin, ): def __init__(self, keep_other_features=3, step2_cv_folds=5, randomize_chain=True): """ Parameters ---------- core_features feature columns to definitely keep for both LR and GPR """ self.keep_other_features = keep_other_features self.step1 = GaussianProcessRegressor_() self.step2_cv_folds = step2_cv_folds self.randomize_chain = randomize_chain def fit(self, X, Y): """ Fit linear and gaussian model. Parameters ---------- X : numpy array or sparse matrix of shape [n_samples, n_features] Training data y : numpy array of shape [n_samples, n_targets] Target values. Returns ------- self : returns an instance of self. """ with ignore_warnings(DataConversionWarning): if isinstance(Y, pandas.DataFrame): self.Y_columns = Y.columns Y_ = Y.values elif isinstance(Y, pandas.Series): self.Y_columns = [Y.name] Y_ = Y.values.reshape(-1,1) else: self.Y_columns = ["Untitled" * Y.shape[1]] Y_ = Y Yhat = pandas.DataFrame( index=X.index, columns=self.Y_columns, ) self.steps = [] self._chain_order = numpy.arange(Y.shape[1]) if self.randomize_chain is not None and self.randomize_chain is not False: if self.randomize_chain is not True: numpy.random.seed(self.randomize_chain) numpy.random.shuffle(self._chain_order) for meta_n in range(Y.shape[1]): n = self._chain_order[meta_n] self.steps.append( make_pipeline( SelectNAndKBest(n=X.shape[1], k=self.keep_other_features), GaussianProcessRegressor(), ).fit( feature_concat(X, Yhat.iloc[:,:meta_n]), Y_[:,n] ) ) Yhat.iloc[:, meta_n] = cross_val_predict( self.steps[-1], feature_concat(X, Yhat.iloc[:,:meta_n]), Y_[:,n], cv=self.step2_cv_folds, ) return self def predict(self, X, return_std=False, return_cov=False): """Predict using the model Parameters ---------- X : {array-like, sparse matrix}, shape = (n_samples, n_features) Samples. Returns ------- C : array, shape = (n_samples,) Returns predicted values. """ if isinstance(X, (pandas.DataFrame, pandas.Series)): x_ix = X.index else: x_ix = pandas.RangeIndex(X.shape[0]) Yhat = pandas.DataFrame( index=x_ix, columns=self.Y_columns, ) if return_std: Ystd = pandas.DataFrame( index=x_ix, columns=self.Y_columns, ) for n, col in enumerate(self.Y_columns): y1, y2 = self.steps[n].predict( feature_concat(X, Yhat.iloc[:, :n]), return_std=True ) Yhat.iloc[:, n] = y1 Ystd.iloc[:, n] = y2 return Yhat, Ystd else: for n, col in enumerate(self.Y_columns): y1 = self.steps[n].predict( feature_concat(X, Yhat.iloc[:, :n]), ) Yhat.iloc[:, n] = y1 return Yhat def cross_val_scores(self, X, Y, cv=3): p = self.cross_val_predicts(X, Y, cv=cv) return pandas.Series( r2_score(Y, p, sample_weight=None, multioutput='raw_values'), index=Y.columns ) def cross_val_predicts(self, X, Y, cv=3, alt_y=None): with ignore_warnings(DataConversionWarning): p = cross_val_predict(self, X, Y, cv=cv) return pandas.DataFrame(p, columns=Y.columns, index=Y.index) def score(self, X, y, sample_weight=None): """Returns the coefficient of determination R^2 of the prediction. The coefficient R^2 is defined as (1 - u/v), where u is the residual sum of squares ((y_true - y_pred) ** 2).sum() and v is the total sum of squares ((y_true - y_true.mean()) ** 2).sum(). The best possible score is 1.0 and it can be negative (because the model can be arbitrarily worse). A constant model that always predicts the expected value of y, disregarding the input features, would get a R^2 score of 0.0. Parameters ---------- X : array-like, shape = (n_samples, n_features) Test samples. y : array-like, shape = (n_samples) or (n_samples, n_outputs) True values for X. sample_weight : array-like, shape = [n_samples], optional Sample weights. Returns ------- score : float R^2 of self.predict(X) wrt. y. """ return r2_score(y, self.predict(X), sample_weight=sample_weight, multioutput='raw_values').mean() class EnsembleRegressorChains( BaseEstimator, RegressorMixin, CrossValMixin, ): def __init__(self, keep_other_features=3, step2_cv_folds=5, replication=10): self.replication = replication self.keep_other_features = keep_other_features self.step2_cv_folds = step2_cv_folds self.ensemble = [ ChainedTargetRegression( keep_other_features=keep_other_features, step2_cv_folds=step2_cv_folds, randomize_chain=n, ) for n in range(self.replication) ] def fit(self, X, Y): for c in self.ensemble: c.fit(X,Y) return self def predict(self, X): result = self.ensemble[0].predict(X) for c in self.ensemble[1:]: result += c.predict(X) result /= len(self.ensemble) return result class StackedSingleTargetRegression( BaseEstimator, RegressorMixin, CrossValMixin, ): def __init__( self, keep_other_features=3, step2_cv_folds=5, ): """ Parameters ---------- keep_other_features : int The number of other (derived) feature columns to keep. Keeping this number small help prevent overfitting problems if the number of output features is large. step2_cv_folds : int The step 1 cross validation predictions are used in step two. How many CV folds? """ self.keep_other_features = keep_other_features self.step2_cv_folds = step2_cv_folds def fit(self, X, Y): """ Fit linear and gaussian model. Parameters ---------- X : numpy array or sparse matrix of shape [n_samples, n_features] Training data y : numpy array of shape [n_samples, n_targets] Target values. Returns ------- self : returns an instance of self. """ with ignore_warnings(DataConversionWarning): self.step1 = MultiOutputRegressor(GaussianProcessRegressor()) Y_cv = cross_val_predict(self.step1, X, Y, cv=self.step2_cv_folds) self.step1.fit(X, Y) self.step2 = MultiOutputRegressor( make_pipeline( SelectNAndKBest(n=X.shape[1], k=self.keep_other_features), GaussianProcessRegressor(), ) ) self.step2.fit(feature_concat(X, Y_cv), Y) if isinstance(Y, pandas.DataFrame): self.Y_columns = Y.columns elif isinstance(Y, pandas.Series): self.Y_columns = Y.name else: self.Y_columns = None return self def predict(self, X, return_std=False, return_cov=False): """Predict using the model Parameters ---------- X : {array-like, sparse matrix}, shape = (n_samples, n_features) Samples. Returns ------- C : array, shape = (n_samples,) Returns predicted values. """ Yhat1 = self.step1.predict(X) Yhat2 = self.step2.predict(feature_concat(X, Yhat1)) # for n, col in enumerate(self.Y_columns): # temp = self.step2[n].predict( # pandas.concat([X, Yhat1], axis=1), # ) # Yhat2.iloc[:, n] = temp return Yhat2 def cross_val_scores(self, X, Y, cv=3): p = self.cross_val_predicts(X, Y, cv=cv) return pandas.Series( r2_score(Y, p, sample_weight=None, multioutput='raw_values'), index=Y.columns ) def cross_val_predicts(self, X, Y, cv=3, alt_y=None): if not isinstance(X, pandas.DataFrame): raise TypeError('must use pandas.DataFrame for X') if not isinstance(Y, pandas.DataFrame): raise TypeError('must use pandas.DataFrame for Y') with ignore_warnings(DataConversionWarning): p = cross_val_predict(self, X, Y, cv=cv) return pandas.DataFrame(p, columns=Y.columns, index=Y.index) def score(self, X, y, sample_weight=None): """Returns the coefficient of determination R^2 of the prediction. The coefficient R^2 is defined as (1 - u/v), where u is the residual sum of squares ((y_true - y_pred) ** 2).sum() and v is the total sum of squares ((y_true - y_true.mean()) ** 2).sum(). The best possible score is 1.0 and it can be negative (because the model can be arbitrarily worse). A constant model that always predicts the expected value of y, disregarding the input features, would get a R^2 score of 0.0. Parameters ---------- X : array-like, shape = (n_samples, n_features) Test samples. y : array-like, shape = (n_samples) or (n_samples, n_outputs) True values for X. sample_weight : array-like, shape = [n_samples], optional Sample weights. Returns ------- score : float R^2 of self.predict(X) wrt. y. """ return r2_score(y, self.predict(X), sample_weight=sample_weight, multioutput='raw_values').mean() class DetrendMixin: def detrend_fit(self, X, Y): self._lr = LinearRegression() self._lr.fit(X, Y) residual = Y - self._lr.predict(X) return residual def detrend_predict(self, X): Yhat1 = self._lr.predict(X) return Yhat1 class DetrendedStackedSingleTargetRegression( StackedSingleTargetRegression, DetrendMixin ): def fit(self, X, Y): return super().fit(X, self.detrend_fit(X,Y)) def predict(self, X, return_std=False, return_cov=False): return self.detrend_predict(X) + super().predict(X) class DetrendedChainedTargetRegression( ChainedTargetRegression, DetrendMixin ): def fit(self, X, Y): return super().fit(X, self.detrend_fit(X,Y)) def predict(self, X, return_std=False, return_cov=False): return self.detrend_predict(X) + super().predict(X) class DetrendedEnsembleRegressorChains( EnsembleRegressorChains, DetrendMixin ): def fit(self, X, Y): return super().fit(X, self.detrend_fit(X,Y)) def predict(self, X, return_std=False, return_cov=False): return self.detrend_predict(X) + super().predict(X)
jpn--/pines
pines/gpr/multitarget.py
Python
mit
16,391
[ "Gaussian" ]
74e5526ef89c2a5b913980448293fc88db233b2c1285966b2336974097715bd2
__author__ = 'yurib' import networkx as nx import numpy as np import random from scipy.special import expit from commons import WEIGHT, BIAS class MatrixNN(object): def __init__(self, layers, seed=None, zeros=False): if seed: np.random.seed(seed) matrix = np.zeros if zeros else np.random.random self.weight = [matrix((ins, outs)) for ins, outs in zip(layers[:-1], layers[1:])] self.bias = [matrix((1, cols)) for cols in layers[1:]] self.layers = layers def activate(self, ins): assert len(ins) == self.layers[0] outs = self.sigmoid(np.array(ins[:]).reshape((1, self.layers[0]))) for w, b in zip(self.weight, self.bias): outs = self.sigmoid(outs.dot(w) + b) return outs sigmoid = np.vectorize(expit) def __repr__(self): return 'layers:\n%s\nweights:\n%s\nbiases:\n%s\n' % (self.layers,self.weight,self.bias) class Neuron(object): sigmoid = expit def __init__(self,id,g,activation=sigmoid): self.activation = activation self.graph = g self.output = None self.id = id def activate(self): ins = self.graph.in_edges(self) if not ins: return vs = [s.output for s,_ in ins] ws = [self.graph[s][t][WEIGHT] for s,t in ins] #bs = [self.graph[s][t][BIAS] for s,t in ins] # todo: fix - bias is a node property! bs = [0]*len(ins) self.output = self.activation(sum(v*w+b for v,w,b in zip(vs,ws,bs))) return self.output class NN(object): def __init__(self, g, inputs, outputs): self.graph = g.copy() # map graph nodes to neurons nodes = {n:Neuron(n,self.graph) for n in self.graph.nodes()} nx.relabel_nodes(self.graph,nodes,copy=False) # remember input and output nodes self.inputs = [nodes[n] for n in inputs] self.outputs = [nodes[n] for n in outputs] # assign random weights and bias if they don't exist for s,t in self.graph.edges(): if WEIGHT not in self.graph[s][t]: self.graph[s][t][WEIGHT] = random.random() if BIAS not in self.graph[s][t]: self.graph[s][t][BIAS] = random.random() def activate(self,inputs): assert len(self.inputs) == len(inputs) topo_nodes = nx.topological_sort(self.graph) for node, input in zip(self.inputs,inputs): node.output = input for node in topo_nodes: node.activate() return [n.output for n in self.outputs] if __name__ == '__main__': g = nx.DiGraph() g.add_nodes_from(range(5)) g.add_edges_from([(0,3),(1,3),(2,4)]) net = NN(g,[0,1,2],[3,4]) print net print 'output:\n', net.activate([5,1,2])
yuribak/pyneat
net/net.py
Python
gpl-2.0
2,820
[ "NEURON" ]
d8fda7c871b27906d904513a7c6384bdf8ca029095a4f9b91c1ed70a54742418
# -*- coding: utf-8 -*- #!/usr/bin/python """Test of fix for bug 570566 (Orca goes silent when navigating to uneditable text from an ARIA widget) using Firefox.""" from macaroon.playback import * import utils sequence = MacroSequence() ######################################################################## # We wait for the focus to be on the Firefox window as well as for focus # to move to the "Editor Test" frame. # sequence.append(WaitForWindowActivate(utils.firefoxFrameNames, None)) ######################################################################## # Load the editor test demo. # sequence.append(KeyComboAction("<Control>l")) sequence.append(WaitForFocus(acc_role=pyatspi.ROLE_ENTRY)) sequence.append(TypeAction(utils.DojoNightlyURLPrefix + "editor/test_Editor.html")) sequence.append(KeyComboAction("Return")) sequence.append(WaitForDocLoad()) sequence.append(WaitForFocus("Editor Test", acc_role=pyatspi.ROLE_DOCUMENT_FRAME)) ######################################################################## # Extra loading time. # sequence.append(PauseAction(10000)) ######################################################################## # Up Arrow to the heading above, and continue Up Arrowing to the top of # the page. # sequence.append(utils.StartRecordingAction()) sequence.append(KeyComboAction("Up")) sequence.append(utils.AssertPresentationAction( "1. Up Arrow", ["BRAILLE LINE: 'ToolBar'", " VISIBLE: 'ToolBar', cursor=1", "SPEECH OUTPUT: 'tool bar'"])) sequence.append(utils.StartRecordingAction()) sequence.append(KeyComboAction("Up")) sequence.append(utils.AssertPresentationAction( "2. Up Arrow", ["BRAILLE LINE: 'No plugins, initially empty h2'", " VISIBLE: 'No plugins, initially empty h2', cursor=1", "SPEECH OUTPUT: 'No plugins, initially empty heading level 2'"])) sequence.append(utils.StartRecordingAction()) sequence.append(KeyComboAction("Up")) sequence.append(utils.AssertPresentationAction( "3. Up Arrow", ["BRAILLE LINE: 'Editor + Plugins Test h1'", " VISIBLE: 'Editor + Plugins Test h1', cursor=1", "SPEECH OUTPUT: 'Editor + Plugins Test heading level 1'"])) sequence.append(utils.StartRecordingAction()) sequence.append(KeyComboAction("Up")) sequence.append(utils.AssertPresentationAction( "4. Up Arrow", ["BUG? - The braille is not ideal, nor does it jive with the speech.", "BRAILLE LINE: '<x> CheckBox<x> CheckBox<x> CheckBox<x> CheckBox<x> CheckBox'", " VISIBLE: 'CheckBox<x> CheckBox<x> CheckBox', cursor=1", "SPEECH OUTPUT: 'blank'"])) sequence.append(utils.StartRecordingAction()) sequence.append(KeyComboAction("Up")) sequence.append(utils.AssertPresentationAction( "5. Up Arrow", ["BRAILLE LINE: 'Focus:<x> CheckBox Value:<x> CheckBox Change:<x> CheckBox Blur:<x> CheckBox Disabled:<x> CheckBox'", " VISIBLE: 'Focus:<x> CheckBox Value:<x> Che', cursor=1", "SPEECH OUTPUT: 'Focus: check box checked grayed Value: check box checked grayed Change: check box checked grayed Blur: check box checked grayed Disabled: check box checked grayed ", "'"])) sequence.append(utils.StartRecordingAction()) sequence.append(KeyComboAction("Up")) sequence.append(utils.AssertPresentationAction( "6. Up Arrow", ["BRAILLE LINE: 'Automated Test - all check boxes should be checked'", " VISIBLE: 'Automated Test - all check boxes', cursor=1", "SPEECH OUTPUT: 'Automated Test - all check boxes should be checked'"])) ######################################################################## # Close the demo # sequence.append(KeyComboAction("<Control>l")) sequence.append(WaitForFocus(acc_role=pyatspi.ROLE_ENTRY)) sequence.append(TypeAction("about:blank")) sequence.append(KeyComboAction("Return")) sequence.append(WaitForDocLoad()) # Just a little extra wait to let some events get through. # sequence.append(PauseAction(3000)) sequence.append(utils.AssertionSummaryAction()) sequence.start()
h4ck3rm1k3/orca-sonar
test/keystrokes/firefox/dojo_bug_570566.py
Python
lgpl-2.1
4,031
[ "ORCA" ]
93898dc8edd3848cd028655cc86c8aa0ed7437ed674e50931d548e5a032db2bf
# Copyright (c) 2012 OpenStack Foundation # All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); you may # not use this file except in compliance with the License. You may obtain # a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, WITHOUT # WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the # License for the specific language governing permissions and limitations # under the License. """Tests for compute resource tracking.""" import mock import uuid from oslo.config import cfg from nova.compute import flavors from nova.compute import resource_tracker from nova.compute import task_states from nova.compute import vm_states from nova import context from nova import db from nova.objects import base as obj_base from nova.objects import migration as migration_obj from nova.openstack.common import jsonutils from nova.openstack.common import timeutils from nova import rpc from nova import test from nova.tests.compute.monitors import test_monitors from nova.tests.objects import test_migration from nova.virt import driver FAKE_VIRT_MEMORY_MB = 5 FAKE_VIRT_MEMORY_OVERHEAD = 1 FAKE_VIRT_MEMORY_WITH_OVERHEAD = ( FAKE_VIRT_MEMORY_MB + FAKE_VIRT_MEMORY_OVERHEAD) ROOT_GB = 5 EPHEMERAL_GB = 1 FAKE_VIRT_LOCAL_GB = ROOT_GB + EPHEMERAL_GB FAKE_VIRT_VCPUS = 1 CONF = cfg.CONF class UnsupportedVirtDriver(driver.ComputeDriver): """Pretend version of a lame virt driver.""" def __init__(self): super(UnsupportedVirtDriver, self).__init__(None) def get_host_ip_addr(self): return '127.0.0.1' def get_available_resource(self, nodename): # no support for getting resource usage info return {} class FakeVirtDriver(driver.ComputeDriver): def __init__(self, pci_support=False): super(FakeVirtDriver, self).__init__(None) self.memory_mb = FAKE_VIRT_MEMORY_MB self.local_gb = FAKE_VIRT_LOCAL_GB self.vcpus = FAKE_VIRT_VCPUS self.memory_mb_used = 0 self.local_gb_used = 0 self.pci_support = pci_support self.pci_devices = [{ 'label': 'forza-napoli', 'dev_type': 'foo', 'compute_node_id': 1, 'address': '0000:00:00.1', 'product_id': 'p1', 'vendor_id': 'v1', 'status': 'available', 'extra_k1': 'v1'}] if self.pci_support else [] self.pci_stats = [{ 'count': 1, 'vendor_id': 'v1', 'product_id': 'p1', 'extra_info': {'extra_k1': 'v1'}}] if self.pci_support else [] def get_host_ip_addr(self): return '127.0.0.1' def get_available_resource(self, nodename): d = { 'vcpus': self.vcpus, 'memory_mb': self.memory_mb, 'local_gb': self.local_gb, 'vcpus_used': 0, 'memory_mb_used': self.memory_mb_used, 'local_gb_used': self.local_gb_used, 'hypervisor_type': 'fake', 'hypervisor_version': 0, 'hypervisor_hostname': 'fakehost', 'cpu_info': '', } if self.pci_support: d['pci_passthrough_devices'] = jsonutils.dumps(self.pci_devices) return d def estimate_instance_overhead(self, instance_info): instance_info['memory_mb'] # make sure memory value is present overhead = { 'memory_mb': FAKE_VIRT_MEMORY_OVERHEAD } return overhead # just return a constant value for testing class BaseTestCase(test.TestCase): def setUp(self): super(BaseTestCase, self).setUp() self.flags(reserved_host_disk_mb=0, reserved_host_memory_mb=0) self.context = context.get_admin_context() self.flags(use_local=True, group='conductor') self.conductor = self.start_service('conductor', manager=CONF.conductor.manager) self._instances = {} self._instance_types = {} self.stubs.Set(self.conductor.db, 'instance_get_all_by_host_and_node', self._fake_instance_get_all_by_host_and_node) self.stubs.Set(self.conductor.db, 'instance_update_and_get_original', self._fake_instance_update_and_get_original) self.stubs.Set(self.conductor.db, 'flavor_get', self._fake_flavor_get) self.host = 'fakehost' def _create_compute_node(self, values=None): compute = { "id": 1, "service_id": 1, "vcpus": 1, "memory_mb": 1, "local_gb": 1, "vcpus_used": 1, "memory_mb_used": 1, "local_gb_used": 1, "free_ram_mb": 1, "free_disk_gb": 1, "current_workload": 1, "running_vms": 0, "cpu_info": None, "stats": [{"key": "num_instances", "value": "1"}], "hypervisor_hostname": "fakenode", } if values: compute.update(values) return compute def _create_service(self, host="fakehost", compute=None): if compute: compute = [compute] service = { "id": 1, "host": host, "binary": "nova-compute", "topic": "compute", "compute_node": compute, } return service def _fake_instance_system_metadata(self, instance_type, prefix=''): sys_meta = [] for key in flavors.system_metadata_flavor_props.keys(): sys_meta.append({'key': '%sinstance_type_%s' % (prefix, key), 'value': instance_type[key]}) return sys_meta def _fake_instance(self, stash=True, flavor=None, **kwargs): # Default to an instance ready to resize to or from the same # instance_type flavor = flavor or self._fake_flavor_create() sys_meta = self._fake_instance_system_metadata(flavor) if stash: # stash instance types in system metadata. sys_meta = (sys_meta + self._fake_instance_system_metadata(flavor, 'new_') + self._fake_instance_system_metadata(flavor, 'old_')) instance_uuid = str(uuid.uuid1()) instance = { 'uuid': instance_uuid, 'vm_state': vm_states.RESIZED, 'task_state': None, 'ephemeral_key_uuid': None, 'os_type': 'Linux', 'project_id': '123456', 'host': None, 'node': None, 'instance_type_id': flavor['id'], 'memory_mb': flavor['memory_mb'], 'vcpus': flavor['vcpus'], 'root_gb': flavor['root_gb'], 'ephemeral_gb': flavor['ephemeral_gb'], 'launched_on': None, 'system_metadata': sys_meta, 'availability_zone': None, 'vm_mode': None, 'reservation_id': None, 'display_name': None, 'default_swap_device': None, 'power_state': None, 'scheduled_at': None, 'access_ip_v6': None, 'access_ip_v4': None, 'key_name': None, 'updated_at': None, 'cell_name': None, 'locked': None, 'locked_by': None, 'launch_index': None, 'architecture': None, 'auto_disk_config': None, 'terminated_at': None, 'ramdisk_id': None, 'user_data': None, 'cleaned': None, 'deleted_at': None, 'id': 333, 'disable_terminate': None, 'hostname': None, 'display_description': None, 'key_data': None, 'deleted': None, 'default_ephemeral_device': None, 'progress': None, 'launched_at': None, 'config_drive': None, 'kernel_id': None, 'user_id': None, 'shutdown_terminate': None, 'created_at': None, 'image_ref': None, 'root_device_name': None, } instance.update(kwargs) self._instances[instance_uuid] = instance return instance def _fake_flavor_create(self, **kwargs): instance_type = { 'id': 1, 'created_at': None, 'updated_at': None, 'deleted_at': None, 'deleted': False, 'disabled': False, 'is_public': True, 'name': 'fakeitype', 'memory_mb': FAKE_VIRT_MEMORY_MB, 'vcpus': FAKE_VIRT_VCPUS, 'root_gb': ROOT_GB, 'ephemeral_gb': EPHEMERAL_GB, 'swap': 0, 'rxtx_factor': 1.0, 'vcpu_weight': 1, 'flavorid': 'fakeflavor', 'extra_specs': {}, } instance_type.update(**kwargs) id_ = instance_type['id'] self._instance_types[id_] = instance_type return instance_type def _fake_instance_get_all_by_host_and_node(self, context, host, nodename): return [i for i in self._instances.values() if i['host'] == host] def _fake_flavor_get(self, ctxt, id_): return self._instance_types[id_] def _fake_instance_update_and_get_original(self, context, instance_uuid, values): instance = self._instances[instance_uuid] instance.update(values) # the test doesn't care what the original instance values are, it's # only used in the subsequent notification: return (instance, instance) def _driver(self): return FakeVirtDriver() def _tracker(self, host=None): if host is None: host = self.host node = "fakenode" driver = self._driver() tracker = resource_tracker.ResourceTracker(host, driver, node) return tracker class UnsupportedDriverTestCase(BaseTestCase): """Resource tracking should be disabled when the virt driver doesn't support it. """ def setUp(self): super(UnsupportedDriverTestCase, self).setUp() self.tracker = self._tracker() # seed tracker with data: self.tracker.update_available_resource(self.context) def _driver(self): return UnsupportedVirtDriver() def test_disabled(self): # disabled = no compute node stats self.assertTrue(self.tracker.disabled) self.assertIsNone(self.tracker.compute_node) def test_disabled_claim(self): # basic claim: instance = self._fake_instance() claim = self.tracker.instance_claim(self.context, instance) self.assertEqual(0, claim.memory_mb) def test_disabled_instance_claim(self): # instance variation: instance = self._fake_instance() claim = self.tracker.instance_claim(self.context, instance) self.assertEqual(0, claim.memory_mb) def test_disabled_instance_context_claim(self): # instance context manager variation: instance = self._fake_instance() claim = self.tracker.instance_claim(self.context, instance) with self.tracker.instance_claim(self.context, instance) as claim: self.assertEqual(0, claim.memory_mb) def test_disabled_updated_usage(self): instance = self._fake_instance(host='fakehost', memory_mb=5, root_gb=10) self.tracker.update_usage(self.context, instance) def test_disabled_resize_claim(self): instance = self._fake_instance() instance_type = self._fake_flavor_create() claim = self.tracker.resize_claim(self.context, instance, instance_type) self.assertEqual(0, claim.memory_mb) self.assertEqual(instance['uuid'], claim.migration['instance_uuid']) self.assertEqual(instance_type['id'], claim.migration['new_instance_type_id']) def test_disabled_resize_context_claim(self): instance = self._fake_instance() instance_type = self._fake_flavor_create() with self.tracker.resize_claim(self.context, instance, instance_type) \ as claim: self.assertEqual(0, claim.memory_mb) class MissingServiceTestCase(BaseTestCase): def setUp(self): super(MissingServiceTestCase, self).setUp() self.context = context.get_admin_context() self.tracker = self._tracker() def test_missing_service(self): self.tracker.update_available_resource(self.context) self.assertTrue(self.tracker.disabled) class MissingComputeNodeTestCase(BaseTestCase): def setUp(self): super(MissingComputeNodeTestCase, self).setUp() self.tracker = self._tracker() self.stubs.Set(db, 'service_get_by_compute_host', self._fake_service_get_by_compute_host) self.stubs.Set(db, 'compute_node_create', self._fake_create_compute_node) def _fake_create_compute_node(self, context, values): self.created = True return self._create_compute_node() def _fake_service_get_by_compute_host(self, ctx, host): # return a service with no joined compute service = self._create_service() return service def test_create_compute_node(self): self.tracker.update_available_resource(self.context) self.assertTrue(self.created) def test_enabled(self): self.tracker.update_available_resource(self.context) self.assertFalse(self.tracker.disabled) class BaseTrackerTestCase(BaseTestCase): def setUp(self): # setup plumbing for a working resource tracker with required # database models and a compatible compute driver: super(BaseTrackerTestCase, self).setUp() self.updated = False self.deleted = False self.tracker = self._tracker() self._migrations = {} self.stubs.Set(db, 'service_get_by_compute_host', self._fake_service_get_by_compute_host) self.stubs.Set(db, 'compute_node_update', self._fake_compute_node_update) self.stubs.Set(db, 'compute_node_delete', self._fake_compute_node_delete) self.stubs.Set(db, 'migration_update', self._fake_migration_update) self.stubs.Set(db, 'migration_get_in_progress_by_host_and_node', self._fake_migration_get_in_progress_by_host_and_node) self.tracker.update_available_resource(self.context) self.limits = self._limits() def _fake_service_get_by_compute_host(self, ctx, host): self.compute = self._create_compute_node() self.service = self._create_service(host, compute=self.compute) return self.service def _fake_compute_node_update(self, ctx, compute_node_id, values, prune_stats=False): self.updated = True values['stats'] = [{"key": "num_instances", "value": "1"}] self.compute.update(values) return self.compute def _fake_compute_node_delete(self, ctx, compute_node_id): self.deleted = True self.compute.update({'deleted': 1}) return self.compute def _fake_migration_get_in_progress_by_host_and_node(self, ctxt, host, node): status = ['confirmed', 'reverted', 'error'] migrations = [] for migration in self._migrations.values(): migration = obj_base.obj_to_primitive(migration) if migration['status'] in status: continue uuid = migration['instance_uuid'] migration['instance'] = self._instances[uuid] migrations.append(migration) return migrations def _fake_migration_update(self, ctxt, migration_id, values): # cheat and assume there's only 1 migration present migration = self._migrations.values()[0] migration.update(values) return migration def _limits(self, memory_mb=FAKE_VIRT_MEMORY_WITH_OVERHEAD, disk_gb=FAKE_VIRT_LOCAL_GB, vcpus=FAKE_VIRT_VCPUS): """Create limits dictionary used for oversubscribing resources.""" return { 'memory_mb': memory_mb, 'disk_gb': disk_gb, 'vcpu': vcpus } def _assert(self, value, field, tracker=None): if tracker is None: tracker = self.tracker if field not in tracker.compute_node: raise test.TestingException( "'%(field)s' not in compute node." % {'field': field}) x = tracker.compute_node[field] self.assertEqual(value, x) class TrackerTestCase(BaseTrackerTestCase): def test_free_ram_resource_value(self): driver = FakeVirtDriver() mem_free = driver.memory_mb - driver.memory_mb_used self.assertEqual(mem_free, self.tracker.compute_node['free_ram_mb']) def test_free_disk_resource_value(self): driver = FakeVirtDriver() mem_free = driver.local_gb - driver.local_gb_used self.assertEqual(mem_free, self.tracker.compute_node['free_disk_gb']) def test_update_compute_node(self): self.assertFalse(self.tracker.disabled) self.assertTrue(self.updated) def test_init(self): driver = self._driver() self._assert(FAKE_VIRT_MEMORY_MB, 'memory_mb') self._assert(FAKE_VIRT_LOCAL_GB, 'local_gb') self._assert(FAKE_VIRT_VCPUS, 'vcpus') self._assert(0, 'memory_mb_used') self._assert(0, 'local_gb_used') self._assert(0, 'vcpus_used') self._assert(0, 'running_vms') self._assert(FAKE_VIRT_MEMORY_MB, 'free_ram_mb') self._assert(FAKE_VIRT_LOCAL_GB, 'free_disk_gb') self.assertFalse(self.tracker.disabled) self.assertEqual(0, self.tracker.compute_node['current_workload']) self.assertEqual(driver.pci_stats, jsonutils.loads(self.tracker.compute_node['pci_stats'])) class TrackerPciStatsTestCase(BaseTrackerTestCase): def test_update_compute_node(self): self.assertFalse(self.tracker.disabled) self.assertTrue(self.updated) def test_init(self): driver = self._driver() self._assert(FAKE_VIRT_MEMORY_MB, 'memory_mb') self._assert(FAKE_VIRT_LOCAL_GB, 'local_gb') self._assert(FAKE_VIRT_VCPUS, 'vcpus') self._assert(0, 'memory_mb_used') self._assert(0, 'local_gb_used') self._assert(0, 'vcpus_used') self._assert(0, 'running_vms') self._assert(FAKE_VIRT_MEMORY_MB, 'free_ram_mb') self._assert(FAKE_VIRT_LOCAL_GB, 'free_disk_gb') self.assertFalse(self.tracker.disabled) self.assertEqual(0, self.tracker.compute_node['current_workload']) self.assertEqual(driver.pci_stats, jsonutils.loads(self.tracker.compute_node['pci_stats'])) def _driver(self): return FakeVirtDriver(pci_support=True) class InstanceClaimTestCase(BaseTrackerTestCase): def test_update_usage_only_for_tracked(self): flavor = self._fake_flavor_create() claim_mem = flavor['memory_mb'] + FAKE_VIRT_MEMORY_OVERHEAD claim_gb = flavor['root_gb'] + flavor['ephemeral_gb'] instance = self._fake_instance(flavor=flavor, task_state=None) self.tracker.update_usage(self.context, instance) self._assert(0, 'memory_mb_used') self._assert(0, 'local_gb_used') self._assert(0, 'current_workload') claim = self.tracker.instance_claim(self.context, instance, self.limits) self.assertNotEqual(0, claim.memory_mb) self._assert(claim_mem, 'memory_mb_used') self._assert(claim_gb, 'local_gb_used') # now update should actually take effect instance['task_state'] = task_states.SCHEDULING self.tracker.update_usage(self.context, instance) self._assert(claim_mem, 'memory_mb_used') self._assert(claim_gb, 'local_gb_used') self._assert(1, 'current_workload') def test_claim_and_audit(self): claim_mem = 3 claim_mem_total = 3 + FAKE_VIRT_MEMORY_OVERHEAD claim_disk = 2 instance = self._fake_instance(memory_mb=claim_mem, root_gb=claim_disk, ephemeral_gb=0) self.tracker.instance_claim(self.context, instance, self.limits) self.assertEqual(FAKE_VIRT_MEMORY_MB, self.compute["memory_mb"]) self.assertEqual(claim_mem_total, self.compute["memory_mb_used"]) self.assertEqual(FAKE_VIRT_MEMORY_MB - claim_mem_total, self.compute["free_ram_mb"]) self.assertEqual(FAKE_VIRT_LOCAL_GB, self.compute["local_gb"]) self.assertEqual(claim_disk, self.compute["local_gb_used"]) self.assertEqual(FAKE_VIRT_LOCAL_GB - claim_disk, self.compute["free_disk_gb"]) # 1st pretend that the compute operation finished and claimed the # desired resources from the virt layer driver = self.tracker.driver driver.memory_mb_used = claim_mem driver.local_gb_used = claim_disk self.tracker.update_available_resource(self.context) # confirm tracker is adding in host_ip self.assertIsNotNone(self.compute.get('host_ip')) # confirm that resource usage is derived from instance usages, # not virt layer: self.assertEqual(claim_mem_total, self.compute['memory_mb_used']) self.assertEqual(FAKE_VIRT_MEMORY_MB - claim_mem_total, self.compute['free_ram_mb']) self.assertEqual(claim_disk, self.compute['local_gb_used']) self.assertEqual(FAKE_VIRT_LOCAL_GB - claim_disk, self.compute['free_disk_gb']) def test_claim_and_abort(self): claim_mem = 3 claim_mem_total = 3 + FAKE_VIRT_MEMORY_OVERHEAD claim_disk = 2 instance = self._fake_instance(memory_mb=claim_mem, root_gb=claim_disk, ephemeral_gb=0) claim = self.tracker.instance_claim(self.context, instance, self.limits) self.assertIsNotNone(claim) self.assertEqual(claim_mem_total, self.compute["memory_mb_used"]) self.assertEqual(FAKE_VIRT_MEMORY_MB - claim_mem_total, self.compute["free_ram_mb"]) self.assertEqual(claim_disk, self.compute["local_gb_used"]) self.assertEqual(FAKE_VIRT_LOCAL_GB - claim_disk, self.compute["free_disk_gb"]) claim.abort() self.assertEqual(0, self.compute["memory_mb_used"]) self.assertEqual(FAKE_VIRT_MEMORY_MB, self.compute["free_ram_mb"]) self.assertEqual(0, self.compute["local_gb_used"]) self.assertEqual(FAKE_VIRT_LOCAL_GB, self.compute["free_disk_gb"]) def test_instance_claim_with_oversubscription(self): memory_mb = FAKE_VIRT_MEMORY_MB * 2 root_gb = ephemeral_gb = FAKE_VIRT_LOCAL_GB vcpus = FAKE_VIRT_VCPUS * 2 limits = {'memory_mb': memory_mb + FAKE_VIRT_MEMORY_OVERHEAD, 'disk_gb': root_gb * 2, 'vcpu': vcpus} instance = self._fake_instance(memory_mb=memory_mb, root_gb=root_gb, ephemeral_gb=ephemeral_gb) self.tracker.instance_claim(self.context, instance, limits) self.assertEqual(memory_mb + FAKE_VIRT_MEMORY_OVERHEAD, self.tracker.compute_node['memory_mb_used']) self.assertEqual(root_gb * 2, self.tracker.compute_node['local_gb_used']) def test_additive_claims(self): self.limits['vcpu'] = 2 flavor = self._fake_flavor_create( memory_mb=1, root_gb=1, ephemeral_gb=0) instance = self._fake_instance(flavor=flavor) with self.tracker.instance_claim(self.context, instance, self.limits): pass instance = self._fake_instance(flavor=flavor) with self.tracker.instance_claim(self.context, instance, self.limits): pass self.assertEqual(2 * (flavor['memory_mb'] + FAKE_VIRT_MEMORY_OVERHEAD), self.tracker.compute_node['memory_mb_used']) self.assertEqual(2 * (flavor['root_gb'] + flavor['ephemeral_gb']), self.tracker.compute_node['local_gb_used']) self.assertEqual(2 * flavor['vcpus'], self.tracker.compute_node['vcpus_used']) def test_context_claim_with_exception(self): instance = self._fake_instance(memory_mb=1, root_gb=1, ephemeral_gb=1) try: with self.tracker.instance_claim(self.context, instance): # <insert exciting things that utilize resources> raise test.TestingException() except test.TestingException: pass self.assertEqual(0, self.tracker.compute_node['memory_mb_used']) self.assertEqual(0, self.tracker.compute_node['local_gb_used']) self.assertEqual(0, self.compute['memory_mb_used']) self.assertEqual(0, self.compute['local_gb_used']) def test_instance_context_claim(self): flavor = self._fake_flavor_create( memory_mb=1, root_gb=2, ephemeral_gb=3) instance = self._fake_instance(flavor=flavor) with self.tracker.instance_claim(self.context, instance): # <insert exciting things that utilize resources> self.assertEqual(flavor['memory_mb'] + FAKE_VIRT_MEMORY_OVERHEAD, self.tracker.compute_node['memory_mb_used']) self.assertEqual(flavor['root_gb'] + flavor['ephemeral_gb'], self.tracker.compute_node['local_gb_used']) self.assertEqual(flavor['memory_mb'] + FAKE_VIRT_MEMORY_OVERHEAD, self.compute['memory_mb_used']) self.assertEqual(flavor['root_gb'] + flavor['ephemeral_gb'], self.compute['local_gb_used']) # after exiting claim context, build is marked as finished. usage # totals should be same: self.tracker.update_available_resource(self.context) self.assertEqual(flavor['memory_mb'] + FAKE_VIRT_MEMORY_OVERHEAD, self.tracker.compute_node['memory_mb_used']) self.assertEqual(flavor['root_gb'] + flavor['ephemeral_gb'], self.tracker.compute_node['local_gb_used']) self.assertEqual(flavor['memory_mb'] + FAKE_VIRT_MEMORY_OVERHEAD, self.compute['memory_mb_used']) self.assertEqual(flavor['root_gb'] + flavor['ephemeral_gb'], self.compute['local_gb_used']) def test_update_load_stats_for_instance(self): instance = self._fake_instance(task_state=task_states.SCHEDULING) with self.tracker.instance_claim(self.context, instance): pass self.assertEqual(1, self.tracker.compute_node['current_workload']) instance['vm_state'] = vm_states.ACTIVE instance['task_state'] = None instance['host'] = 'fakehost' self.tracker.update_usage(self.context, instance) self.assertEqual(0, self.tracker.compute_node['current_workload']) def test_cpu_stats(self): limits = {'disk_gb': 100, 'memory_mb': 100} self.assertEqual(0, self.tracker.compute_node['vcpus_used']) vcpus = 1 instance = self._fake_instance(vcpus=vcpus) # should not do anything until a claim is made: self.tracker.update_usage(self.context, instance) self.assertEqual(0, self.tracker.compute_node['vcpus_used']) with self.tracker.instance_claim(self.context, instance, limits): pass self.assertEqual(vcpus, self.tracker.compute_node['vcpus_used']) # instance state can change without modifying vcpus in use: instance['task_state'] = task_states.SCHEDULING self.tracker.update_usage(self.context, instance) self.assertEqual(vcpus, self.tracker.compute_node['vcpus_used']) add_vcpus = 10 vcpus += add_vcpus instance = self._fake_instance(vcpus=add_vcpus) with self.tracker.instance_claim(self.context, instance, limits): pass self.assertEqual(vcpus, self.tracker.compute_node['vcpus_used']) instance['vm_state'] = vm_states.DELETED self.tracker.update_usage(self.context, instance) vcpus -= add_vcpus self.assertEqual(vcpus, self.tracker.compute_node['vcpus_used']) def test_skip_deleted_instances(self): # ensure that the audit process skips instances that have vm_state # DELETED, but the DB record is not yet deleted. self._fake_instance(vm_state=vm_states.DELETED, host=self.host) self.tracker.update_available_resource(self.context) self.assertEqual(0, self.tracker.compute_node['memory_mb_used']) self.assertEqual(0, self.tracker.compute_node['local_gb_used']) class ResizeClaimTestCase(BaseTrackerTestCase): def setUp(self): super(ResizeClaimTestCase, self).setUp() def _fake_migration_create(mig_self, ctxt): self._migrations[mig_self.instance_uuid] = mig_self mig_self.obj_reset_changes() self.stubs.Set(migration_obj.Migration, 'create', _fake_migration_create) self.instance = self._fake_instance() self.instance_type = self._fake_flavor_create() def _fake_migration_create(self, context, values=None): instance_uuid = str(uuid.uuid1()) mig_dict = test_migration.fake_db_migration() mig_dict.update({ 'id': 1, 'source_compute': 'host1', 'source_node': 'fakenode', 'dest_compute': 'host2', 'dest_node': 'fakenode', 'dest_host': '127.0.0.1', 'old_instance_type_id': 1, 'new_instance_type_id': 2, 'instance_uuid': instance_uuid, 'status': 'pre-migrating', 'updated_at': timeutils.utcnow() }) if values: mig_dict.update(values) migration = migration_obj.Migration() migration.update(mig_dict) # This hits the stub in setUp() migration.create('fake') def test_claim(self): self.tracker.resize_claim(self.context, self.instance, self.instance_type, self.limits) self._assert(FAKE_VIRT_MEMORY_WITH_OVERHEAD, 'memory_mb_used') self._assert(FAKE_VIRT_LOCAL_GB, 'local_gb_used') self._assert(FAKE_VIRT_VCPUS, 'vcpus_used') self.assertEqual(1, len(self.tracker.tracked_migrations)) def test_abort(self): try: with self.tracker.resize_claim(self.context, self.instance, self.instance_type, self.limits): raise test.TestingException("abort") except test.TestingException: pass self._assert(0, 'memory_mb_used') self._assert(0, 'local_gb_used') self._assert(0, 'vcpus_used') self.assertEqual(0, len(self.tracker.tracked_migrations)) def test_additive_claims(self): limits = self._limits( 2 * FAKE_VIRT_MEMORY_WITH_OVERHEAD, 2 * FAKE_VIRT_LOCAL_GB, 2 * FAKE_VIRT_VCPUS) self.tracker.resize_claim(self.context, self.instance, self.instance_type, limits) instance2 = self._fake_instance() self.tracker.resize_claim(self.context, instance2, self.instance_type, limits) self._assert(2 * FAKE_VIRT_MEMORY_WITH_OVERHEAD, 'memory_mb_used') self._assert(2 * FAKE_VIRT_LOCAL_GB, 'local_gb_used') self._assert(2 * FAKE_VIRT_VCPUS, 'vcpus_used') def test_claim_and_audit(self): self.tracker.resize_claim(self.context, self.instance, self.instance_type, self.limits) self.tracker.update_available_resource(self.context) self._assert(FAKE_VIRT_MEMORY_WITH_OVERHEAD, 'memory_mb_used') self._assert(FAKE_VIRT_LOCAL_GB, 'local_gb_used') self._assert(FAKE_VIRT_VCPUS, 'vcpus_used') def test_same_host(self): self.limits['vcpu'] = 3 src_dict = { 'memory_mb': 1, 'root_gb': 1, 'ephemeral_gb': 0, 'vcpus': 1} dest_dict = dict((k, v + 1) for (k, v) in src_dict.iteritems()) src_type = self._fake_flavor_create( id=10, name="srcflavor", **src_dict) dest_type = self._fake_flavor_create( id=11, name="destflavor", **dest_dict) # make an instance of src_type: instance = self._fake_instance(flavor=src_type) instance['system_metadata'] = self._fake_instance_system_metadata( dest_type) self.tracker.instance_claim(self.context, instance, self.limits) # resize to dest_type: claim = self.tracker.resize_claim(self.context, instance, dest_type, self.limits) self._assert(src_dict['memory_mb'] + dest_dict['memory_mb'] + 2 * FAKE_VIRT_MEMORY_OVERHEAD, 'memory_mb_used') self._assert(src_dict['root_gb'] + src_dict['ephemeral_gb'] + dest_dict['root_gb'] + dest_dict['ephemeral_gb'], 'local_gb_used') self._assert(src_dict['vcpus'] + dest_dict['vcpus'], 'vcpus_used') self.tracker.update_available_resource(self.context) claim.abort() # only the original instance should remain, not the migration: self._assert(src_dict['memory_mb'] + FAKE_VIRT_MEMORY_OVERHEAD, 'memory_mb_used') self._assert(src_dict['root_gb'] + src_dict['ephemeral_gb'], 'local_gb_used') self._assert(src_dict['vcpus'], 'vcpus_used') self.assertEqual(1, len(self.tracker.tracked_instances)) self.assertEqual(0, len(self.tracker.tracked_migrations)) def test_revert(self): self.tracker.resize_claim(self.context, self.instance, self.instance_type, self.limits) self.tracker.drop_resize_claim(self.instance) self.assertEqual(0, len(self.tracker.tracked_instances)) self.assertEqual(0, len(self.tracker.tracked_migrations)) self._assert(0, 'memory_mb_used') self._assert(0, 'local_gb_used') self._assert(0, 'vcpus_used') def test_revert_reserve_source(self): # if a revert has started at the API and audit runs on # the source compute before the instance flips back to source, # resources should still be held at the source based on the # migration: dest = "desthost" dest_tracker = self._tracker(host=dest) dest_tracker.update_available_resource(self.context) self.instance = self._fake_instance(memory_mb=FAKE_VIRT_MEMORY_MB, root_gb=FAKE_VIRT_LOCAL_GB, ephemeral_gb=0, vcpus=FAKE_VIRT_VCPUS, instance_type_id=1) values = {'source_compute': self.host, 'dest_compute': dest, 'old_instance_type_id': 1, 'new_instance_type_id': 1, 'status': 'post-migrating', 'instance_uuid': self.instance['uuid']} self._fake_migration_create(self.context, values) # attach an instance to the destination host tracker: dest_tracker.instance_claim(self.context, self.instance) self._assert(FAKE_VIRT_MEMORY_WITH_OVERHEAD, 'memory_mb_used', tracker=dest_tracker) self._assert(FAKE_VIRT_LOCAL_GB, 'local_gb_used', tracker=dest_tracker) self._assert(FAKE_VIRT_VCPUS, 'vcpus_used', tracker=dest_tracker) # audit and recheck to confirm migration doesn't get double counted # on dest: dest_tracker.update_available_resource(self.context) self._assert(FAKE_VIRT_MEMORY_WITH_OVERHEAD, 'memory_mb_used', tracker=dest_tracker) self._assert(FAKE_VIRT_LOCAL_GB, 'local_gb_used', tracker=dest_tracker) self._assert(FAKE_VIRT_VCPUS, 'vcpus_used', tracker=dest_tracker) # apply the migration to the source host tracker: self.tracker.update_available_resource(self.context) self._assert(FAKE_VIRT_MEMORY_WITH_OVERHEAD, 'memory_mb_used') self._assert(FAKE_VIRT_LOCAL_GB, 'local_gb_used') self._assert(FAKE_VIRT_VCPUS, 'vcpus_used') # flag the instance and migration as reverting and re-audit: self.instance['vm_state'] = vm_states.RESIZED self.instance['task_state'] = task_states.RESIZE_REVERTING self.tracker.update_available_resource(self.context) self._assert(FAKE_VIRT_MEMORY_MB + 1, 'memory_mb_used') self._assert(FAKE_VIRT_LOCAL_GB, 'local_gb_used') self._assert(FAKE_VIRT_VCPUS, 'vcpus_used') def test_resize_filter(self): instance = self._fake_instance(vm_state=vm_states.ACTIVE, task_state=task_states.SUSPENDING) self.assertFalse(self.tracker._instance_in_resize_state(instance)) instance = self._fake_instance(vm_state=vm_states.RESIZED, task_state=task_states.SUSPENDING) self.assertTrue(self.tracker._instance_in_resize_state(instance)) states = [task_states.RESIZE_PREP, task_states.RESIZE_MIGRATING, task_states.RESIZE_MIGRATED, task_states.RESIZE_FINISH] for vm_state in [vm_states.ACTIVE, vm_states.STOPPED]: for task_state in states: instance = self._fake_instance(vm_state=vm_state, task_state=task_state) result = self.tracker._instance_in_resize_state(instance) self.assertTrue(result) def test_dupe_filter(self): instance = self._fake_instance(host=self.host) values = {'source_compute': self.host, 'dest_compute': self.host, 'instance_uuid': instance['uuid'], 'new_instance_type_id': 2} self._fake_migration_create(self.context, values) self._fake_migration_create(self.context, values) self.tracker.update_available_resource(self.context) self.assertEqual(1, len(self.tracker.tracked_migrations)) def test_set_instance_host_and_node(self): instance = self._fake_instance() self.assertIsNone(instance['host']) self.assertIsNone(instance['launched_on']) self.assertIsNone(instance['node']) claim = self.tracker.instance_claim(self.context, instance) self.assertNotEqual(0, claim.memory_mb) self.assertEqual('fakehost', instance['host']) self.assertEqual('fakehost', instance['launched_on']) self.assertEqual('fakenode', instance['node']) class NoInstanceTypesInSysMetadata(ResizeClaimTestCase): """Make sure we handle the case where the following are true: 1) Compute node C gets upgraded to code that looks for instance types in system metadata. AND 2) C already has instances in the process of migrating that do not have stashed instance types. bug 1164110 """ def setUp(self): super(NoInstanceTypesInSysMetadata, self).setUp() self.instance = self._fake_instance(stash=False) class OrphanTestCase(BaseTrackerTestCase): def _driver(self): class OrphanVirtDriver(FakeVirtDriver): def get_per_instance_usage(self): return { '1-2-3-4-5': {'memory_mb': FAKE_VIRT_MEMORY_MB, 'uuid': '1-2-3-4-5'}, '2-3-4-5-6': {'memory_mb': FAKE_VIRT_MEMORY_MB, 'uuid': '2-3-4-5-6'}, } return OrphanVirtDriver() def test_usage(self): self.assertEqual(2 * FAKE_VIRT_MEMORY_WITH_OVERHEAD, self.tracker.compute_node['memory_mb_used']) def test_find(self): # create one legit instance and verify the 2 orphans remain self._fake_instance() orphans = self.tracker._find_orphaned_instances() self.assertEqual(2, len(orphans)) class ComputeMonitorTestCase(BaseTestCase): def setUp(self): super(ComputeMonitorTestCase, self).setUp() fake_monitors = [ 'nova.tests.compute.monitors.test_monitors.FakeMonitorClass1', 'nova.tests.compute.monitors.test_monitors.FakeMonitorClass2'] self.flags(compute_available_monitors=fake_monitors) self.tracker = self._tracker() self.node_name = 'nodename' self.user_id = 'fake' self.project_id = 'fake' self.info = {} self.context = context.RequestContext(self.user_id, self.project_id) def test_get_host_metrics_none(self): self.flags(compute_monitors=['FakeMontorClass1', 'FakeMonitorClass4']) self.tracker.monitors = [] metrics = self.tracker._get_host_metrics(self.context, self.node_name) self.assertEqual(len(metrics), 0) def test_get_host_metrics_one_failed(self): self.flags(compute_monitors=['FakeMonitorClass1', 'FakeMonitorClass4']) class1 = test_monitors.FakeMonitorClass1(self.tracker) class4 = test_monitors.FakeMonitorClass4(self.tracker) self.tracker.monitors = [class1, class4] metrics = self.tracker._get_host_metrics(self.context, self.node_name) self.assertTrue(len(metrics) > 0) def test_get_host_metrics(self): self.flags(compute_monitors=['FakeMonitorClass1', 'FakeMonitorClass2']) class1 = test_monitors.FakeMonitorClass1(self.tracker) class2 = test_monitors.FakeMonitorClass2(self.tracker) self.tracker.monitors = [class1, class2] mock_notifier = mock.Mock() with mock.patch.object(rpc, 'get_notifier', return_value=mock_notifier) as mock_get: metrics = self.tracker._get_host_metrics(self.context, self.node_name) mock_get.assert_called_once_with(service='compute', host=self.node_name) expected_metrics = [{ 'timestamp': 1232, 'name': 'key1', 'value': 2600, 'source': 'libvirt' }, { 'name': 'key2', 'source': 'libvirt', 'timestamp': 123, 'value': 1600 }] payload = { 'metrics': expected_metrics, 'host': self.tracker.host, 'host_ip': CONF.my_ip, 'nodename': self.node_name } mock_notifier.info.assert_called_once_with( self.context, 'compute.metrics.update', payload) self.assertEqual(metrics, expected_metrics)
afrolov1/nova
nova/tests/compute/test_resource_tracker.py
Python
apache-2.0
43,467
[ "exciting" ]
6b61a8399ad777ba2097d41f2932e5923ba4a0997d003f8bbc06e144b3a1d610
#!/usr/bin/env python '''unit testing code for pysam. Execute in the :file:`tests` directory as it requires the Makefile and data files located there. ''' import pysam import pysam.samtools import pysam.bcftools import unittest import os import re import glob import sys import subprocess import shutil from TestUtils import checkBinaryEqual, check_lines_equal, \ check_samtools_view_equal, get_temp_filename, force_bytes IS_PYTHON3 = sys.version_info[0] >= 3 WORKDIR = "pysam_test_work" DATADIR = "pysam_data" def run_command(cmd): '''run a samtools command''' try: retcode = subprocess.call(cmd, shell=True, stderr=subprocess.PIPE) if retcode < 0: print("Child was terminated by signal", -retcode) except OSError as e: print("Execution failed:", e) def get_version(executable): '''return samtools/bcftools version''' with subprocess.Popen(executable, shell=True, stderr=subprocess.PIPE).stderr as pipe: lines = b"".join(pipe.readlines()) if IS_PYTHON3: lines = lines.decode('ascii') try: x = re.search("Version:\s+(\S+)", lines).groups()[0] except AttributeError: raise ValueError("could not get version from %s" % lines) return x class SamtoolsTest(unittest.TestCase): '''test samtools command line commands and compare against pysam commands. Tests fail, if the output is not binary identical. ''' requisites = [ "ex1.fa", "ex1.fa.fai", "ex1.sam.gz", "ex1.bam", "ex1.bam.bai", "ex1.sam", "ex2.bam", "ex1.bed"] # a list of statements to test # should contain at least one %(out)s component indicating # an output file. statements = [ "view ex1.bam > %(out)s_ex1.view", # ("view -bT ex1.fa -o %(out)s_ex1.view2 ex1.sam", "sort ex1.bam -o %(out)s_ex1.sort.bam", "mpileup ex1.bam > %(out)s_ex1.pileup", "depth ex1.bam > %(out)s_ex1.depth", # TODO: issues with file naming # "faidx ex1.fa; %(out)s_ex1.fa.fai", "index ex1.bam %(out)s_ex1.bam.fai", "idxstats ex1.bam > %(out)s_ex1.idxstats", "fixmate ex1.bam %(out)s_ex1.fixmate.bam", "flagstat ex1.bam > %(out)s_ex1.flagstat", # Fails python 3.3 on linux, passes on OsX and when # run locally "calmd ex1.bam ex1.fa > %(out)s_ex1.calmd.bam", # use -s option, otherwise the following error in samtools 1.2: # Samtools-htslib-API: bam_get_library() not yet implemented # causes downstream problems # TODO: The following cause subsequent commands to fail # unknow option # "rmdup -s ex1.bam %(out)s_ex1.rmdup.bam", # "merge -f %(out)s_ex1.merge.bam ex1.bam ex1.bam", "reheader ex1.sam ex1.bam > %(out)s_ex1.reheader", "cat -o %(out)s_ex1.cat.bam ex1.bam ex1.bam", "targetcut ex1.bam > %(out)s_ex1.targetcut", "phase ex1.bam > %(out)s_ex1.phase", "import ex1.fa.fai ex1.sam.gz %(out)s_ex1.bam", "bam2fq ex1.bam > %(out)s_ex1.bam2fq", # TODO: not the same # "pad2unpad -T ex1.fa ex2.bam > %(out)s_ex2.unpad", # TODO: command line option problem # "bamshuf ex1.bam -O --output-fmt SAM > %(out)s_ex1.bamshuf.sam", # "collate ex1.bam %(out)s_ex1.collate", "bedcov ex1.bed ex1.bam > %(out)s_ex1.bedcov", "stats ex1.bam > %(out)s_ex1.stats", "dict ex1.bam > %(out)s_ex1.dict", # TODO: not the same # ("addreplacerg -r 'RG\tID:ga\tSM:hs' ex1.bam > %(out)s_ex1.addreplacerg", ] map_command = { "import": "samimport"} executable = "samtools" module = pysam.samtools def check_version(self): samtools_version = get_version(self.executable) def _r(s): # patch - remove any of the alpha/beta suffixes, i.e., 0.1.12a -> # 0.1.12 if s.count('-') > 0: s = s[0:s.find('-')] return re.sub("[^0-9.]", "", s) if _r(samtools_version) != _r(pysam.__samtools_version__): raise ValueError( "versions of pysam.%s and %s differ: %s != %s" % (self.executable, self.executable, pysam.__samtools_version__, samtools_version)) def setUp(self): '''setup tests. For setup, all commands will be run before the first test is executed. Individual tests will then just compare the output files. ''' self.check_version() if not os.path.exists(WORKDIR): os.makedirs(WORKDIR) for f in self.requisites: shutil.copy(os.path.join(DATADIR, f), os.path.join(WORKDIR, f)) self.savedir = os.getcwd() os.chdir(WORKDIR) return def check_statement(self, statement): parts = statement.split(" ") r_samtools = {"out": self.executable} r_pysam = {"out": "pysam"} command = parts[0] command = self.map_command.get(command, command) # self.assertTrue(command in pysam.SAMTOOLS_DISPATCH) targets = [x for x in parts if "%(out)s" in x] samtools_targets = [x % r_samtools for x in targets] pysam_targets = [x % r_pysam for x in targets] pysam_method = getattr(self.module, command) # run samtools full_statement = re.sub("%\(out\)s", self.executable, statement) run_command(" ".join((self.executable, full_statement))) # sys.stdout.write("%s %s ok" % (command, self.executable)) # run pysam if ">" in statement: assert parts[-2] == ">" parts = parts[:-2] # avoid interpolation to preserve string quoting, tab chars, etc. pysam_parts = [re.sub("%\(out\)s", "pysam", x) for x in parts[1:]] output = pysam_method(*pysam_parts, raw=True, catch_stdout=True) # sys.stdout.write(" pysam ok\n") if ">" in statement: with open(pysam_targets[-1], "wb") as outfile: if output is not None: outfile.write(force_bytes(output)) for samtools_target, pysam_target in zip(samtools_targets, pysam_targets): if os.path.isdir(samtools_target): samtools_files = glob.glob(os.path.join( samtools_target, "*")) pysam_files = glob.glob(os.path.join(pysam_target, "*")) self.assertEqual(len(samtools_files), len(pysam_files)) # need to be able to exclude files like README, etc. continue else: samtools_files = [samtools_target] pysam_files = [pysam_target] for s, p in zip(samtools_files, pysam_files): binary_equal = checkBinaryEqual(s, p) error_msg = "%s failed: files %s and %s are not the same" % (command, s, p) if binary_equal: continue if s.endswith(".bam"): self.assertTrue( check_samtools_view_equal( s, p, without_header=True), error_msg) check_lines_equal( self, s, p, filter_f=lambda x: x.startswith("#"), msg=error_msg) def testStatements(self): for statement in self.statements: if (statement.startswith("calmd") and list(sys.version_info[:2]) == [3, 3]): # skip calmd test, fails only on python 3.3.5 # in linux (empty output). Works in OsX and passes # for 3.4 and 3.5, see issue #293 continue self.check_statement(statement) def tearDown(self): if os.path.exists(WORKDIR): shutil.rmtree(WORKDIR) os.chdir(self.savedir) class EmptyIndexTest(unittest.TestCase): def testEmptyIndex(self): self.assertRaises(IOError, pysam.samtools.index, "exdoesntexist.bam") class TestReturnType(unittest.TestCase): def testReturnValueString(self): retval = pysam.idxstats(os.path.join(DATADIR, "ex1.bam")) if IS_PYTHON3: self.assertFalse(isinstance(retval, bytes)) self.assertTrue(isinstance(retval, str)) else: self.assertTrue(isinstance(retval, bytes)) self.assertTrue(isinstance(retval, basestring)) def testReturnValueData(self): args = "-O BAM {}".format(os.path.join(DATADIR, "ex1.bam")).split(" ") retval = pysam.view(*args) if IS_PYTHON3: self.assertTrue(isinstance(retval, bytes)) self.assertFalse(isinstance(retval, str)) else: self.assertTrue(isinstance(retval, bytes)) self.assertTrue(isinstance(retval, basestring)) class StdoutTest(unittest.TestCase): '''test if stdout can be redirected.''' def testWithRedirectedStdout(self): r = pysam.samtools.flagstat( os.path.join(DATADIR, "ex1.bam")) self.assertTrue(len(r) > 0) def testWithoutRedirectedStdout(self): r = pysam.samtools.flagstat( os.path.join(DATADIR, "ex1.bam"), catch_stdout=False) self.assertEqual(r, None) def testDoubleCalling(self): # The following would fail if there is an # issue with stdout being improperly caught. retvals = pysam.idxstats( os.path.join(DATADIR, "ex1.bam")) retvals = pysam.idxstats( os.path.join(DATADIR, "ex1.bam")) def testSaveStdout(self): outfile = get_temp_filename(suffix=".tsv") r = pysam.samtools.flagstat( os.path.join(DATADIR, "ex1.bam"), save_stdout=outfile) self.assertEqual(r, None) with open(outfile) as inf: r = inf.read() self.assertTrue(len(r) > 0) class PysamTest(SamtoolsTest): """check access to samtools command in the pysam main package. This is for backwards capability. """ module = pysam class BcftoolsTest(SamtoolsTest): requisites = [ "ex1.fa", "ex1.vcf.gz", "ex1.vcf.gz.tbi", ] # a list of statements to test # should contain at least one %(out)s component indicating # an output file. statements = [ # "index -n ex1.vcf.gz > %(out)s_ex1.index", "annotate -x ID ex1.vcf.gz > %(out)s_ex1.annotate", "concat -a ex1.vcf.gz ex1.vcf.gz > %(out)s_ex1.concat", "isec -p %(out)s_ex1.isec ex1.vcf.gz ex1.vcf.gz", "merge --force-samples ex1.vcf.gz ex1.vcf.gz > %(out)s_ex1.norm", "norm -m +both ex1.vcf.gz > %(out)s_ex1.norm", # "plugin", # "query -f '%CHROM\n' ex1.vcf.gz > %(out)s_ex1.query", # "reheader -s A > %(out)s_ex1.reheader", # "view ex1.vcf.gz > %(out)s_ex1.view", # "call -m ex1.vcf.gz > %(out)s_ex1.call", # bad file descriptor # "consensus -f ex1.fa ex1.vcf.gz > %(out)s_ex1.consensus" # need appropriate VCF file # "cnv", # segfault # "filter -s A ex1.vcf.gz > %(out)s_ex1.filter", # exit # "gtcheck -s A ex1.vcf.gz > %(out)s_ex1.gtcheck", "roh -s A ex1.vcf.gz > %(out)s_ex1.roh", "stats ex1.vcf.gz > %(out)s_ex1.stats", ] map_command = { "import": "samimport"} executable = "bcftools" module = pysam.bcftools if __name__ == "__main__": # build data files print ("building data files") subprocess.call("make -C %s" % DATADIR, shell=True) print ("starting tests") unittest.main() print ("completed tests")
bioinformed/pysam
tests/samtools_test.py
Python
mit
12,004
[ "pysam" ]
5744bbbbed0fb6472124354e226e95caa87c9c3c049028e27fd4fd9c171d8e03
from dolfin import * from fenics import * from ply2fn import * from code import * from iterator import * from normal_deriv import * #comm=dolfin.mpi_comm_self() #comm.MPI_Init_thread() #filename="../neuron_mesh_data/neuron" #ibdry=9 #obdry=10 filename="../head_mesh_data/head" ibdry=10 obdry=9 #this tries to parse a ply file into a vertex mesh (is that a thing?) and spits out a dolfin xml file #comm=dolfin.mpi_comm_self() #if MPI.rank(comm) == 0: # print(str(MPI.rank(comm))+'\n') #gets boundary mesh and boundary values for said mesh infile=file(filename+"_bvals.ply","r") [mesh,Q,vals]=ply2bvals(infile) infile.close() mesh2 = Mesh(filename+".xml") boundaries = MeshFunction('size_t',mesh2,filename+"_facet_region.xml") V = FunctionSpace(mesh2, "Lagrange",1) bvals=extend_boundary_fun(V,Q,vals) #Compute external measurements w=inorout(V,boundaries,bvals,ibdry,obdry,"insideout") w.vector()[:]/=255. nvs=get_facet_normal(V,boundaries,ibdry) e0=Constant((1.,0.,0.)) e1=Constant((0.,1.,0.)) e2=Constant((0.,0.,1.)) nvecs=e0*nvs[0]+e1*nvs[1]+e2*nvs[2] [delta,sol]=bval_problem_iterator(V,boundaries,w,ibdry,obdry,nvecs,65) v=Function(V) v.vector()[:]=w.vector()[:]-sol.vector()[:] vsq=Function(V) vsq.vector()[:]=v.vector()[:]*v.vector()[:] wsq=Function(V) wsq.vector()[:]=w.vector()[:]*w.vector()[:] epsilon=np.sqrt(assemble(vsq*dx)) gamma=np.sqrt(assemble(wsq*dx)) error=epsilon/gamma #File("../output/sol.pvd") << sol File("../output/bvals.pvd") << w #File("../output/delta.pvd") << delta
jcrist1/iterated_bdry_solver
src/main.py
Python
mit
1,506
[ "NEURON" ]
7275c33a55b1857e8bd6708414c5ec7a26dd2ba6ff3be21d39bb4d5f625a1e88
import tests.base from netcdf import netcdf as nc import os import stat import numpy as np class TestNetcdf(tests.base.TestCase): def test_open_unexistent_file(self): with self.assertRaisesRegexp(Exception, u'There is not file list or ' 'pattern to open.'): nc.open([]) def test_open_unexistent_pattern(self): with self.assertRaisesRegexp(Exception, u'There is not file list or ' 'pattern to open.'): nc.open('') def test_open_close_existent_file(self): # check if open an existent file. root, is_new = nc.open('unittest00.nc') self.assertEquals(root.files, ['unittest00.nc']) self.assertEquals(root.pattern, 'unittest00.nc') self.assertEquals(len(root.roots), 1) self.assertFalse(is_new) self.assertFalse(root.read_only) # check if close an existent file. nc.close(root) with self.assertRaisesRegexp(RuntimeError, u'NetCDF: Not a valid ID'): nc.close(root) def test_open_close_new_file(self): # delete the filename from the system. filename = 'unittest-1.nc' if os.path.isfile(filename): os.remove(filename) # check if create and open a new file. root, is_new = nc.open(filename) self.assertEquals(root.files, ['unittest-1.nc']) self.assertEquals(root.pattern, 'unittest-1.nc') self.assertEquals(len(root.roots), 1) self.assertTrue(is_new) self.assertFalse(root.read_only) # check if close the created file. nc.close(root) with self.assertRaisesRegexp(RuntimeError, u'NetCDF: Not a valid ID'): nc.close(root) def test_open_close_readonly_file(self): # set the file to be readonly. filename = 'ro_unittest.nc' if os.path.isfile(filename): os.chmod(filename, stat.S_IRUSR | stat.S_IRGRP | stat.S_IROTH) # check if create and open a new file. root, is_new = nc.open(filename) self.assertEquals(root.files, [filename]) self.assertEquals(root.pattern, filename) self.assertEquals(len(root.roots), 1) self.assertFalse(is_new) self.assertTrue(root.read_only) # check if close the readonly file. nc.close(root) with self.assertRaisesRegexp(RuntimeError, u'NetCDF: Not a valid ID'): nc.close(root) def test_open_close_file_with_readonly_restriction(self): # check the file is NOT read only. filename = 'unittest00.nc' can_write = os.access(filename, os.W_OK) self.assertTrue(can_write) # check if open an existent file. root, is_new = nc.open('unittest00.nc', read_only=True) self.assertEquals(root.files, ['unittest00.nc']) self.assertEquals(root.pattern, 'unittest00.nc') self.assertEquals(len(root.roots), 1) self.assertFalse(is_new) self.assertTrue(root.read_only) with self.assertRaisesRegexp(Exception, u'NetCDF: Write to read only'): var = nc.getvar(root, 'data') var[:] = 0 # check if close an existent file. nc.close(root) with self.assertRaisesRegexp(RuntimeError, u'NetCDF: Not a valid ID'): nc.close(root) def test_open_close_multiple_files_with_readonly_restriction(self): # check the files are NOT read only. filenames = map(lambda i: 'unittest0%i.nc' % i, range(5)) can_write = map(lambda f: os.access(f, os.W_OK), filenames) self.assertTrue(all(can_write)) # check if open the pattern selection using using a package instance. root, is_new = nc.open('unittest0*.nc', read_only=True) self.assertEquals(root.files, ['unittest0%i.nc' % i for i in range(5)]) self.assertEquals(root.pattern, 'unittest0*.nc') self.assertEquals(len(root.roots), 5) self.assertFalse(is_new) self.assertTrue(root.read_only) with self.assertRaisesRegexp(Exception, u'NetCDF: Write to read only'): var = nc.getvar(root, 'data') var[:] = 0 # check if close the package with all the files. nc.close(root) with self.assertRaisesRegexp(RuntimeError, u'NetCDF: Not a valid ID'): nc.close(root) def test_open_close_multiple_files(self): # check if open the pattern selection using using a package instance. root, is_new = nc.open('unittest0*.nc') self.assertEquals(root.files, ['unittest0%i.nc' % i for i in range(5)]) self.assertEquals(root.pattern, 'unittest0*.nc') self.assertEquals(len(root.roots), 5) self.assertFalse(is_new) self.assertFalse(root.read_only) # check if close the package with all the files. nc.close(root) with self.assertRaisesRegexp(RuntimeError, u'NetCDF: Not a valid ID'): nc.close(root) def test_open_close_using_with(self): # check if open the pattern selection using using a package instance. with nc.loader('unittest0*.nc') as root: self.assertEquals(root.files, ['unittest0%i.nc' % i for i in range(5)]) self.assertEquals(root.pattern, 'unittest0*.nc') self.assertEquals(len(root.roots), 5) self.assertFalse(root.is_new) self.assertFalse(root.read_only) # check if close the package with all the files. with self.assertRaisesRegexp(RuntimeError, u'NetCDF: Not a valid ID'): nc.close(root) def test_get_existing_dim_single_file(self): # check if get the dimension in a single file. root = nc.open('unittest00.nc')[0] self.assertEquals(len(nc.getdim(root, 'time')), 1) nc.close(root) def test_get_not_existing_dim_single_file(self): # check if get the dimension in a single file. root = nc.open('unittest00.nc')[0] self.assertFalse(root.has_dimension('the_12th_dimension')) self.assertEquals(len(nc.getdim(root, 'the_12th_dimension', 123)), 1) self.assertTrue(root.has_dimension('the_12th_dimension')) nc.close(root) def test_get_existing_dim_multiple_file(self): # check if get the dimension in a single file. root = nc.open('unittest0*.nc')[0] self.assertEquals(len(nc.getdim(root, 'time')), 5) nc.close(root) def test_get_not_existing_dim_multiple_file(self): # check if get the dimension in a single file. root = nc.open('unittest0*.nc')[0] self.assertFalse(root.has_dimension('the_12th_dimension')) self.assertEquals(len(nc.getdim(root, 'the_12th_dimension', 123)), 5) self.assertTrue(root.has_dimension('the_12th_dimension')) nc.close(root) def test_get_existing_var_single_file(self): # check if get the variable in a single file. root = nc.open('unittest00.nc')[0] self.assertNotIn('data', root.variables) var = nc.getvar(root, 'data') self.assertEquals(var.shape, (1, 100, 200)) self.assertIn('data', root.variables) are_equals = (var[:] == self.data) self.assertTrue(are_equals.all()) nc.close(root) def test_get_non_existing_var_single_file(self): # check if get the variable in a single file. root = nc.open('unittest00.nc')[0] self.assertNotIn('new_variable', root.variables) var = nc.getvar(root, 'new_variable', 'f4', ('time', 'yc', 'xc'), digits=3, fill_value=1.2) self.assertEquals(var.shape, (1, 100, 200)) self.assertIn('new_variable', root.variables) ref = np.zeros(var.shape) + 1.2 # the comparison is true if the error is less than 0.002 are_equals = (var[:] - ref) < 0.002 self.assertTrue(are_equals.all()) nc.close(root) def test_get_existing_var_multiple_file(self): # check if get the variable with multiples files. root = nc.open('unittest0*.nc')[0] self.assertNotIn('data', root.variables) var = nc.getvar(root, 'data') self.assertEquals(var.shape, (5, 100, 200)) self.assertIn('data', root.variables) are_equals = (var[:] == self.data) self.assertTrue(are_equals.all()) nc.close(root) def test_get_non_existing_var_multiple_file(self): # check if get the variable with multiples files. root = nc.open('unittest0*.nc')[0] self.assertNotIn('new_variable', root.variables) var = nc.getvar(root, 'new_variable', 'f4', ('time', 'yc', 'xc'), digits=3, fill_value=1.2) self.assertEquals(var.shape, (5, 100, 200)) self.assertIn('new_variable', root.variables) ref = np.zeros(var.shape) + 1.2 # the comparison is true if the error is less than 0.002 are_equals = (var[:] - ref) < 0.002 self.assertTrue(are_equals.all()) nc.close(root) def test_single_file_var_operations(self): # check if get and set the numpy matrix. root = nc.open('unittest00.nc')[0] var = nc.getvar(root, 'data') self.assertEquals(var.__class__, nc.SingleNCVariable) self.assertEquals(var[:].__class__, np.ndarray) tmp = var[:] var[:] = var[:] + 1 nc.close(root) # check if value was saved into the file. root = nc.open('unittest00.nc')[0] var = nc.getvar(root, 'data') self.assertTrue(var, tmp + 1) nc.close(root) def test_multiple_file_var_operations(self): # check if get and set the numpy matrix. root = nc.open('unittest0*.nc')[0] var = nc.getvar(root, 'data') self.assertEquals(var.__class__, nc.DistributedNCVariable) self.assertEquals(var[:].__class__, np.ndarray) tmp = var[:] var[:] = var[:] + 1 nc.close(root) # check if value was saved into the file. root = nc.open('unittest0*.nc')[0] var = nc.getvar(root, 'data') self.assertTrue(var, tmp + 1) nc.close(root) def test_single_file_new_var_operations(self): # check if create a new var. root = nc.open('unittest00.nc')[0] var = nc.getvar(root, 'new_variable', 'f4', ('time', 'yc', 'xc'), digits=3, fill_value=1.0) self.assertTrue((var[:] == 1.0).all()) self.assertEquals(var.__class__, nc.SingleNCVariable) self.assertEquals(var[:].__class__, np.ndarray) tmp = var[:] var[:] = var[:] + 1 nc.close(root) # check if value was saved into the file. root = nc.open('unittest00.nc')[0] var = nc.getvar(root, 'new_variable') self.assertEquals(var, tmp + 1) nc.close(root) def test_multiple_file_new_var_operations(self): # check if create a new var. root = nc.open('unittest0*.nc')[0] var = nc.getvar(root, 'new_variable', 'f4', ('time', 'yc', 'xc'), digits=3, fill_value=1.0) self.assertTrue((var[:] == 1.0).all()) self.assertEquals(var.__class__, nc.DistributedNCVariable) self.assertEquals(var[:].__class__, np.ndarray) tmp = var[:] var[:] = var[:] + 1 nc.close(root) # check if value was saved into the files. root = nc.open('unittest00.nc')[0] var = nc.getvar(root, 'new_variable') self.assertEquals(var, tmp + 1) nc.close(root) def test_character_variables_in_single_file(self): # check if get and set the numpy string matrix in single files. root = nc.open('unittest00.nc')[0] var = nc.getvar(root, 'auditTrail') self.assertEquals(var.shape, (1, 2, 80)) self.assertEquals(var, self.auditTrail) self.auditTrail[:].data[0:6] = 'CHANGE' var[0, 0:6] = np.array(list('CHANGE')) self.assertEquals(var, self.auditTrail) nc.close(root) def test_character_variables_in_multiple_file(self): # check if get and set the numpy string matrix in multiple files. root = nc.open('unittest0*.nc')[0] var = nc.getvar(root, 'auditTrail') self.assertEquals(var.shape, (5, 2, 80)) result = np.vstack([[self.auditTrail] for i in range(5)]) self.assertEquals(var, result) for i in range(5): result[i, i % 2].data[0:6] = 'CHANGE' var[i, i % 2, 0:6] = np.array(list('CHANGE')) self.assertEquals(var, result) nc.close(root) # check if was writed to each file. root = nc.open('unittest0*.nc')[0] var = nc.getvar(root, 'auditTrail') self.assertEquals(var, result) nc.close(root) def test_get_var_copy_from_source(self): root = nc.open('unittest0*.nc')[0] if os.path.isfile('unittest_destiny.nc'): os.remove('unittest_destiny.nc') root_d = nc.open('unittest_destiny.nc')[0] # check if getvar copy a variable from a complex file to a simple file. var_source = nc.getvar(root, 'data') var = nc.getvar(root_d, 'data_copy', source=var_source) self.assertEquals(var, var_source) # check if getvar copy a variable from a simple file to a complex file. var_distributed = nc.getvar(root, 'data_copy', source=var) self.assertEquals(var, var_distributed) # check if getvar copy changing the vtype to a simple file. var_int = nc.getvar(root_d, 'data_int', 'i4', source=var_source) self.assertEquals(var_source.vtype, 'f4') self.assertEquals(var_int.vtype, 'i4') diff = var_source[:] - var_int[:] self.assertTrue((diff < 1).all()) # check if getvar copy changing the vtype to a multiple file. var_distributed_int = nc.getvar(root, 'data_int', 'i4', source=var) self.assertEquals(var_distributed.vtype, 'f4') self.assertEquals(var_distributed_int.vtype, 'i4') diff = var_distributed[:] - var_distributed_int[:] self.assertTrue((diff < 1).all()) if __name__ == '__main__': tests.base.main()
gersolar/netcdf
tests/netcdf_test.py
Python
mit
14,336
[ "NetCDF" ]
78ceabc4a80a11e8d3c22bb9ccaf79cd39942f00f9dd4ab851c7e17953e9c4d7
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import json import os import unittest from pymatgen.core.structure import Molecule from pymatgen.io.nwchem import NwInput, NwInputError, NwOutput, NwTask from pymatgen.util.testing import PymatgenTest test_dir = os.path.join(PymatgenTest.TEST_FILES_DIR, "nwchem") coords = [ [0.000000, 0.000000, 0.000000], [0.000000, 0.000000, 1.089000], [1.026719, 0.000000, -0.363000], [-0.513360, -0.889165, -0.363000], [-0.513360, 0.889165, -0.363000], ] mol = Molecule(["C", "H", "H", "H", "H"], coords) class NwTaskTest(unittest.TestCase): def setUp(self): self.task = NwTask( 0, 1, basis_set={"H": "6-31g"}, theory="dft", theory_directives={"xc": "b3lyp"}, ) self.task_cosmo = NwTask( 0, 1, basis_set={"H": "6-31g"}, theory="dft", theory_directives={"xc": "b3lyp"}, alternate_directives={"cosmo": "cosmo"}, ) self.task_esp = NwTask(0, 1, basis_set={"H": "6-31g"}, theory="esp") def test_multi_bset(self): t = NwTask.from_molecule( mol, theory="dft", basis_set={"C": "6-311++G**", "H": "6-31++G**"}, theory_directives={"xc": "b3lyp"}, ) ans = """title "H4C1 dft optimize" charge 0 basis cartesian C library "6-311++G**" H library "6-31++G**" end dft xc b3lyp end task dft optimize""" self.assertEqual(str(t), ans) def test_str_and_from_string(self): ans = """title "dft optimize" charge 0 basis cartesian H library "6-31g" end dft xc b3lyp end task dft optimize""" self.assertEqual(str(self.task), ans) def test_to_from_dict(self): d = self.task.as_dict() t = NwTask.from_dict(d) self.assertIsInstance(t, NwTask) def test_init(self): self.assertRaises(NwInputError, NwTask, 0, 1, {"H": "6-31g"}, theory="bad") self.assertRaises(NwInputError, NwTask, 0, 1, {"H": "6-31g"}, operation="bad") def test_dft_task(self): task = NwTask.dft_task(mol, charge=1, operation="energy") ans = """title "H4C1 dft energy" charge 1 basis cartesian C library "6-31g" H library "6-31g" end dft mult 2 xc b3lyp end task dft energy""" self.assertEqual(str(task), ans) def test_dft_cosmo_task(self): task = NwTask.dft_task( mol, charge=mol.charge, operation="energy", xc="b3lyp", basis_set="6-311++G**", alternate_directives={"cosmo": {"dielec": 78.0}}, ) ans = """title "H4C1 dft energy" charge 0 basis cartesian C library "6-311++G**" H library "6-311++G**" end dft mult 1 xc b3lyp end cosmo dielec 78.0 end task dft energy""" self.assertEqual(str(task), ans) def test_esp_task(self): task = NwTask.esp_task(mol, charge=mol.charge, operation="", basis_set="6-311++G**") ans = """title "H4C1 esp " charge 0 basis cartesian C library "6-311++G**" H library "6-311++G**" end task esp """ self.assertEqual(str(task), ans) class NwInputTest(unittest.TestCase): def setUp(self): tasks = [ NwTask.dft_task(mol, operation="optimize", xc="b3lyp", basis_set="6-31++G*"), NwTask.dft_task(mol, operation="freq", xc="b3lyp", basis_set="6-31++G*"), NwTask.dft_task(mol, operation="energy", xc="b3lyp", basis_set="6-311++G**"), NwTask.dft_task( mol, charge=mol.charge + 1, operation="energy", xc="b3lyp", basis_set="6-311++G**", ), NwTask.dft_task( mol, charge=mol.charge - 1, operation="energy", xc="b3lyp", basis_set="6-311++G**", ), ] self.nwi = NwInput( mol, tasks, geometry_options=["units", "angstroms", "noautoz"], memory_options="total 1000 mb", ) self.nwi_symm = NwInput( mol, tasks, geometry_options=["units", "angstroms", "noautoz"], symmetry_options=["c1"], ) def test_str(self): ans = """memory total 1000 mb geometry units angstroms noautoz C 0.0 0.0 0.0 H 0.0 0.0 1.089 H 1.026719 0.0 -0.363 H -0.51336 -0.889165 -0.363 H -0.51336 0.889165 -0.363 end title "H4C1 dft optimize" charge 0 basis cartesian C library "6-31++G*" H library "6-31++G*" end dft mult 1 xc b3lyp end task dft optimize title "H4C1 dft freq" charge 0 basis cartesian C library "6-31++G*" H library "6-31++G*" end dft mult 1 xc b3lyp end task dft freq title "H4C1 dft energy" charge 0 basis cartesian C library "6-311++G**" H library "6-311++G**" end dft mult 1 xc b3lyp end task dft energy title "H4C1 dft energy" charge 1 basis cartesian C library "6-311++G**" H library "6-311++G**" end dft mult 2 xc b3lyp end task dft energy title "H4C1 dft energy" charge -1 basis cartesian C library "6-311++G**" H library "6-311++G**" end dft mult 2 xc b3lyp end task dft energy """ self.assertEqual(str(self.nwi), ans) ans_symm = """geometry units angstroms noautoz symmetry c1 C 0.0 0.0 0.0 H 0.0 0.0 1.089 H 1.026719 0.0 -0.363 H -0.51336 -0.889165 -0.363 H -0.51336 0.889165 -0.363 end title "H4C1 dft optimize" charge 0 basis cartesian C library "6-31++G*" H library "6-31++G*" end dft mult 1 xc b3lyp end task dft optimize title "H4C1 dft freq" charge 0 basis cartesian C library "6-31++G*" H library "6-31++G*" end dft mult 1 xc b3lyp end task dft freq title "H4C1 dft energy" charge 0 basis cartesian C library "6-311++G**" H library "6-311++G**" end dft mult 1 xc b3lyp end task dft energy title "H4C1 dft energy" charge 1 basis cartesian C library "6-311++G**" H library "6-311++G**" end dft mult 2 xc b3lyp end task dft energy title "H4C1 dft energy" charge -1 basis cartesian C library "6-311++G**" H library "6-311++G**" end dft mult 2 xc b3lyp end task dft energy """ self.assertEqual(str(self.nwi_symm), ans_symm) def test_to_from_dict(self): d = self.nwi.as_dict() nwi = NwInput.from_dict(d) self.assertIsInstance(nwi, NwInput) # Ensure it is json-serializable. json.dumps(d) d = self.nwi_symm.as_dict() nwi_symm = NwInput.from_dict(d) self.assertIsInstance(nwi_symm, NwInput) json.dumps(d) def test_from_string_and_file(self): nwi = NwInput.from_file(os.path.join(test_dir, "ch4.nw")) self.assertEqual(nwi.tasks[0].theory, "dft") self.assertEqual(nwi.memory_options, "total 1000 mb stack 400 mb") self.assertEqual(nwi.tasks[0].basis_set["C"], "6-31++G*") self.assertEqual(nwi.tasks[-1].basis_set["C"], "6-311++G**") # Try a simplified input. str_inp = """start H4C1 geometry units angstroms C 0.0 0.0 0.0 H 0.0 0.0 1.089 H 1.026719 0.0 -0.363 H -0.51336 -0.889165 -0.363 H -0.51336 0.889165 -0.363 end title "H4C1 dft optimize" charge 0 basis cartesian H library "6-31++G*" C library "6-31++G*" end dft xc b3lyp mult 1 end task scf optimize title "H4C1 dft freq" charge 0 task scf freq title "H4C1 dft energy" charge 0 basis cartesian H library "6-311++G**" C library "6-311++G**" end task dft energy title "H4C1 dft energy" charge 1 dft xc b3lyp mult 2 end task dft energy title "H4C1 dft energy" charge -1 task dft energy """ nwi = NwInput.from_string(str_inp) self.assertEqual(nwi.geometry_options, ["units", "angstroms"]) self.assertEqual(nwi.tasks[0].theory, "scf") self.assertEqual(nwi.tasks[0].basis_set["C"], "6-31++G*") self.assertEqual(nwi.tasks[-1].theory, "dft") self.assertEqual(nwi.tasks[-1].basis_set["C"], "6-311++G**") str_inp_symm = str_inp.replace("geometry units angstroms", "geometry units angstroms\n symmetry c1") nwi_symm = NwInput.from_string(str_inp_symm) self.assertEqual(nwi_symm.geometry_options, ["units", "angstroms"]) self.assertEqual(nwi_symm.symmetry_options, ["c1"]) self.assertEqual(nwi_symm.tasks[0].theory, "scf") self.assertEqual(nwi_symm.tasks[0].basis_set["C"], "6-31++G*") self.assertEqual(nwi_symm.tasks[-1].theory, "dft") self.assertEqual(nwi_symm.tasks[-1].basis_set["C"], "6-311++G**") class NwOutputTest(unittest.TestCase): def test_read(self): nwo = NwOutput(os.path.join(test_dir, "CH4.nwout")) nwo_cosmo = NwOutput(os.path.join(test_dir, "N2O4.nwout")) self.assertEqual(0, nwo[0]["charge"]) self.assertEqual(-1, nwo[-1]["charge"]) self.assertEqual(len(nwo), 5) self.assertAlmostEqual(-1102.6224491715582, nwo[0]["energies"][-1], 2) self.assertAlmostEqual(-1102.9986291578023, nwo[2]["energies"][-1], 3) self.assertAlmostEqual(-11156.354030653656, nwo_cosmo[5]["energies"][0]["cosmo scf"], 3) self.assertAlmostEqual(-11153.374133394364, nwo_cosmo[5]["energies"][0]["gas phase"], 3) self.assertAlmostEqual(-11156.353632962995, nwo_cosmo[5]["energies"][0]["sol phase"], 2) self.assertAlmostEqual(-11168.818934311605, nwo_cosmo[6]["energies"][0]["cosmo scf"], 2) self.assertAlmostEqual(-11166.3624424611462, nwo_cosmo[6]["energies"][0]["gas phase"], 2) self.assertAlmostEqual(-11168.818934311605, nwo_cosmo[6]["energies"][0]["sol phase"], 2) self.assertAlmostEqual(-11165.227959110889, nwo_cosmo[7]["energies"][0]["cosmo scf"], 2) self.assertAlmostEqual(-11165.025443612385, nwo_cosmo[7]["energies"][0]["gas phase"], 2) self.assertAlmostEqual(-11165.227959110154, nwo_cosmo[7]["energies"][0]["sol phase"], 2) self.assertAlmostEqual(nwo[1]["hessian"][0][0], 4.60187e01) self.assertAlmostEqual(nwo[1]["hessian"][1][2], -1.14030e-08) self.assertAlmostEqual(nwo[1]["hessian"][2][3], 2.60819e01) self.assertAlmostEqual(nwo[1]["hessian"][6][6], 1.45055e02) self.assertAlmostEqual(nwo[1]["hessian"][11][14], 1.35078e01) # CH4.nwout, line 722 self.assertAlmostEqual(nwo[0]["forces"][0][3], -0.001991) # N2O4.nwout, line 1071 self.assertAlmostEqual(nwo_cosmo[0]["forces"][0][4], 0.011948) # There should be four DFT gradients. self.assertEqual(len(nwo_cosmo[0]["forces"]), 4) ie = nwo[4]["energies"][-1] - nwo[2]["energies"][-1] ea = nwo[2]["energies"][-1] - nwo[3]["energies"][-1] self.assertAlmostEqual(0.7575358648355177, ie) self.assertAlmostEqual(-14.997877958701338, ea, 3) self.assertEqual(nwo[4]["basis_set"]["C"]["description"], "6-311++G**") nwo = NwOutput(os.path.join(test_dir, "H4C3O3_1.nwout")) self.assertTrue(nwo[-1]["has_error"]) self.assertEqual(nwo[-1]["errors"][0], "Bad convergence") nwo = NwOutput(os.path.join(test_dir, "CH3CH2O.nwout")) self.assertTrue(nwo[-1]["has_error"]) self.assertEqual(nwo[-1]["errors"][0], "Bad convergence") nwo = NwOutput(os.path.join(test_dir, "C1N1Cl1_1.nwout")) self.assertTrue(nwo[-1]["has_error"]) self.assertEqual(nwo[-1]["errors"][0], "autoz error") nwo = NwOutput(os.path.join(test_dir, "anthrachinon_wfs_16_ethyl.nwout")) self.assertTrue(nwo[-1]["has_error"]) self.assertEqual(nwo[-1]["errors"][0], "Geometry optimization failed") nwo = NwOutput(os.path.join(test_dir, "anthrachinon_wfs_15_carboxyl.nwout")) self.assertEqual(nwo[1]["frequencies"][0][0], -70.47) self.assertEqual(len(nwo[1]["frequencies"][0][1]), 27) self.assertEqual(nwo[1]["frequencies"][-1][0], 3696.74) self.assertEqual(nwo[1]["frequencies"][-1][1][-1], (0.20498, -0.94542, -0.00073)) self.assertEqual(nwo[1]["normal_frequencies"][1][0], -70.72) self.assertEqual(nwo[1]["normal_frequencies"][3][0], -61.92) self.assertEqual(nwo[1]["normal_frequencies"][1][1][-1], (0.00056, 0.00042, 0.06781)) def test_parse_tddft(self): nwo = NwOutput(os.path.join(test_dir, "phen_tddft.log")) roots = nwo.parse_tddft() self.assertEqual(len(roots["singlet"]), 20) self.assertAlmostEqual(roots["singlet"][0]["energy"], 3.9291) self.assertAlmostEqual(roots["singlet"][0]["osc_strength"], 0.0) self.assertAlmostEqual(roots["singlet"][1]["osc_strength"], 0.00177) def test_get_excitation_spectrum(self): nwo = NwOutput(os.path.join(test_dir, "phen_tddft.log")) spectrum = nwo.get_excitation_spectrum() self.assertEqual(len(spectrum.x), 2000) self.assertAlmostEqual(spectrum.x[0], 1.9291) self.assertAlmostEqual(spectrum.y[0], 0.0) self.assertAlmostEqual(spectrum.y[1000], 0.0007423569947114812) if __name__ == "__main__": unittest.main()
vorwerkc/pymatgen
pymatgen/io/tests/test_nwchem.py
Python
mit
13,075
[ "NWChem", "pymatgen" ]
b33f5dfa35ab8fca82d8f5ba91c6245821db60dd9b3fd2c370290714e6ece2b1
from typing import Any, Dict EMOJI_NAME_MAPS: Dict[str, Dict[str, Any]] = { # seems like best emoji for happy "1f600": {"canonical_name": "grinning", "aliases": ["happy"]}, "1f603": {"canonical_name": "smiley", "aliases": []}, # the Google emoji for this is not great, so made People/9 'smile' and # renamed this one "1f604": {"canonical_name": "big_smile", "aliases": []}, # from gemoji/Unicode "1f601": {"canonical_name": "grinning_face_with_smiling_eyes", "aliases": []}, # satisfied doesn't seem like a good description of these images "1f606": {"canonical_name": "laughing", "aliases": ["lol"]}, "1f605": {"canonical_name": "sweat_smile", "aliases": []}, # laughter_tears from https://beebom.com/emoji-meanings/ "1f602": {"canonical_name": "joy", "aliases": ["tears", "laughter_tears"]}, "1f923": {"canonical_name": "rolling_on_the_floor_laughing", "aliases": ["rofl"]}, # not sure how the glyphs match relaxed, but both iamcal and gemoji have it "263a": {"canonical_name": "smiling_face", "aliases": ["relaxed"]}, "1f60a": {"canonical_name": "blush", "aliases": []}, # halo comes from gemoji/Unicode "1f607": {"canonical_name": "innocent", "aliases": ["halo"]}, "1f642": {"canonical_name": "smile", "aliases": []}, "1f643": {"canonical_name": "upside_down", "aliases": ["oops"]}, "1f609": {"canonical_name": "wink", "aliases": []}, "1f60c": {"canonical_name": "relieved", "aliases": []}, # in_love from https://beebom.com/emoji-meanings/ "1f60d": {"canonical_name": "heart_eyes", "aliases": ["in_love"]}, # blow_a_kiss from https://beebom.com/emoji-meanings/ "1f618": {"canonical_name": "heart_kiss", "aliases": ["blow_a_kiss"]}, "1f617": {"canonical_name": "kiss", "aliases": []}, "1f619": {"canonical_name": "kiss_smiling_eyes", "aliases": []}, "1f61a": {"canonical_name": "kiss_with_blush", "aliases": []}, "1f60b": {"canonical_name": "yum", "aliases": []}, # crazy from https://beebom.com/emoji-meanings/, seems like best emoji for # joking "1f61b": {"canonical_name": "stuck_out_tongue", "aliases": ["mischievous"]}, "1f61c": {"canonical_name": "stuck_out_tongue_wink", "aliases": ["joking", "crazy"]}, "1f61d": {"canonical_name": "stuck_out_tongue_closed_eyes", "aliases": []}, # kaching suggested by user "1f911": {"canonical_name": "money_face", "aliases": ["kaching"]}, # arms_open seems like a natural addition "1f917": {"canonical_name": "hug", "aliases": ["arms_open"]}, "1f913": {"canonical_name": "nerd", "aliases": ["geek"]}, # several sites suggested this was used for "cool", but cool is taken by # Symbols/137 "1f60e": {"canonical_name": "sunglasses", "aliases": []}, "1f921": {"canonical_name": "clown", "aliases": []}, "1f920": {"canonical_name": "cowboy", "aliases": []}, # https://emojipedia.org/smirking-face/ "1f60f": {"canonical_name": "smirk", "aliases": ["smug"]}, "1f612": {"canonical_name": "unamused", "aliases": []}, "1f61e": {"canonical_name": "disappointed", "aliases": []}, # see People/41 "1f614": {"canonical_name": "pensive", "aliases": ["tired"]}, "1f61f": {"canonical_name": "worried", "aliases": []}, # these seem to better capture the glyphs. This is also what :/ turns into # in Google Hangouts "1f615": {"canonical_name": "oh_no", "aliases": ["half_frown", "concerned", "confused"]}, "1f641": {"canonical_name": "frown", "aliases": ["slight_frown"]}, # sad seemed better than putting another frown as the primary name (see # People/37) "2639": {"canonical_name": "sad", "aliases": ["big_frown"]}, # helpless from https://emojipedia.org/persevering-face/ "1f623": {"canonical_name": "persevere", "aliases": ["helpless"]}, # agony seemed like a good addition "1f616": {"canonical_name": "confounded", "aliases": ["agony"]}, # tired doesn't really match any of the 4 images, put it on People/34 "1f62b": {"canonical_name": "anguish", "aliases": []}, # distraught from https://beebom.com/emoji-meanings/ "1f629": {"canonical_name": "weary", "aliases": ["distraught"]}, "1f624": {"canonical_name": "triumph", "aliases": []}, "1f620": {"canonical_name": "angry", "aliases": []}, # mad and grumpy from https://beebom.com/emoji-meanings/, very_angry to # parallel People/44 and show up in typeahead for "ang.." "1f621": {"canonical_name": "rage", "aliases": ["mad", "grumpy", "very_angry"]}, # blank from https://beebom.com/emoji-meanings/, speechless and poker_face # seemed like good ideas for this "1f636": {"canonical_name": "speechless", "aliases": ["no_mouth", "blank", "poker_face"]}, "1f610": {"canonical_name": "neutral", "aliases": []}, "1f611": {"canonical_name": "expressionless", "aliases": []}, "1f62f": {"canonical_name": "hushed", "aliases": []}, "1f626": {"canonical_name": "frowning", "aliases": []}, # pained from https://beebom.com/emoji-meanings/ "1f627": {"canonical_name": "anguished", "aliases": ["pained"]}, # surprise from https://emojipedia.org/face-with-open-mouth/ "1f62e": {"canonical_name": "open_mouth", "aliases": ["surprise"]}, "1f632": {"canonical_name": "astonished", "aliases": []}, "1f635": {"canonical_name": "dizzy", "aliases": []}, # the alternates are from https://emojipedia.org/flushed-face/. shame # doesn't work with the Google emoji "1f633": {"canonical_name": "flushed", "aliases": ["embarrassed", "blushing"]}, "1f631": {"canonical_name": "scream", "aliases": []}, # scared from https://emojipedia.org/fearful-face/, shock seemed like a # nice addition "1f628": {"canonical_name": "fear", "aliases": ["scared", "shock"]}, "1f630": {"canonical_name": "cold_sweat", "aliases": []}, "1f622": {"canonical_name": "cry", "aliases": []}, # stressed from https://beebom.com/emoji-meanings/. The internet generally # didn't seem to know what to make of the disappointed_relieved name, and I # got the sense it wasn't an emotion that was often used. Hence replaced it # with exhausted. "1f625": {"canonical_name": "exhausted", "aliases": ["disappointed_relieved", "stressed"]}, "1f924": {"canonical_name": "drooling", "aliases": []}, "1f62d": {"canonical_name": "sob", "aliases": []}, "1f613": {"canonical_name": "sweat", "aliases": []}, "1f62a": {"canonical_name": "sleepy", "aliases": []}, "1f634": {"canonical_name": "sleeping", "aliases": []}, "1f644": {"canonical_name": "rolling_eyes", "aliases": []}, "1f914": {"canonical_name": "thinking", "aliases": []}, "1f925": {"canonical_name": "lying", "aliases": []}, # seems like best emoji for nervous/anxious "1f62c": {"canonical_name": "grimacing", "aliases": ["nervous", "anxious"]}, # zip_it from https://mashable.com/2015/10/23/ios-9-1-emoji-guide/, # lips_sealed from https://emojipedia.org/zipper-mouth-face/, rest seemed # like reasonable additions "1f910": { "canonical_name": "silence", "aliases": ["quiet", "hush", "zip_it", "lips_are_sealed"], }, # queasy seemed like a natural addition "1f922": {"canonical_name": "nauseated", "aliases": ["queasy"]}, "1f927": {"canonical_name": "sneezing", "aliases": []}, "1f637": {"canonical_name": "mask", "aliases": []}, # flu from https://mashable.com/2015/10/23/ios-9-1-emoji-guide/, sick from # https://emojipedia.org/face-with-thermometer/, face_with_thermometer so # it shows up in typeahead (thermometer taken by Objects/82) "1f912": { "canonical_name": "sick", "aliases": ["flu", "face_with_thermometer", "ill", "fever"], }, # hurt and injured from https://beebom.com/emoji-meanings/. Chose hurt as # primary since I think it can cover a wider set of things (e.g. emotional # hurt) "1f915": {"canonical_name": "hurt", "aliases": ["head_bandage", "injured"]}, # devil from https://emojipedia.org/smiling-face-with-horns/, # smiling_face_with_horns from gemoji/Unicode "1f608": { "canonical_name": "smiling_devil", "aliases": ["smiling_imp", "smiling_face_with_horns"], }, # angry_devil from https://beebom.com/emoji-meanings/ "1f47f": {"canonical_name": "devil", "aliases": ["imp", "angry_devil"]}, "1f479": {"canonical_name": "ogre", "aliases": []}, "1f47a": {"canonical_name": "goblin", "aliases": []}, # pile_of_poo from gemoji/Unicode "1f4a9": {"canonical_name": "poop", "aliases": ["pile_of_poo"]}, # alternates seemed like reasonable additions "1f47b": {"canonical_name": "ghost", "aliases": ["boo", "spooky", "haunted"]}, "1f480": {"canonical_name": "skull", "aliases": []}, # alternates seemed like reasonable additions "2620": { "canonical_name": "skull_and_crossbones", "aliases": ["pirate", "death", "hazard", "toxic", "poison"], }, # ufo seemed like a natural addition "1f47d": {"canonical_name": "alien", "aliases": ["ufo"]}, "1f47e": {"canonical_name": "space_invader", "aliases": []}, "1f916": {"canonical_name": "robot", "aliases": []}, # pumpkin seemed like a natural addition "1f383": {"canonical_name": "jack-o-lantern", "aliases": ["pumpkin"]}, "1f63a": {"canonical_name": "smiley_cat", "aliases": []}, "1f638": {"canonical_name": "smile_cat", "aliases": []}, "1f639": {"canonical_name": "joy_cat", "aliases": []}, "1f63b": {"canonical_name": "heart_eyes_cat", "aliases": []}, # smug_cat to parallel People/31 "1f63c": {"canonical_name": "smirk_cat", "aliases": ["smug_cat"]}, "1f63d": {"canonical_name": "kissing_cat", "aliases": []}, # weary_cat from Unicode/gemoji "1f640": {"canonical_name": "scream_cat", "aliases": ["weary_cat"]}, "1f63f": {"canonical_name": "crying_cat", "aliases": []}, # angry_cat to better parallel People/45 "1f63e": {"canonical_name": "angry_cat", "aliases": ["pouting_cat"]}, "1f450": {"canonical_name": "open_hands", "aliases": []}, # praise from # https://emojipedia.org/person-raising-both-hands-in-celebration/ "1f64c": {"canonical_name": "raised_hands", "aliases": ["praise"]}, # applause from https://emojipedia.org/clapping-hands-sign/ "1f44f": {"canonical_name": "clap", "aliases": ["applause"]}, # welcome and thank_you from # https://emojipedia.org/person-with-folded-hands/, namaste from Indian # culture "1f64f": {"canonical_name": "pray", "aliases": ["welcome", "thank_you", "namaste"]}, # done_deal seems like a natural addition "1f91d": {"canonical_name": "handshake", "aliases": ["done_deal"]}, "1f44d": {"canonical_name": "+1", "aliases": ["thumbs_up", "like"]}, "1f44e": {"canonical_name": "-1", "aliases": ["thumbs_down"]}, # fist_bump from https://beebom.com/emoji-meanings/ "1f44a": {"canonical_name": "fist_bump", "aliases": ["punch"]}, # used as power in social justice movements "270a": {"canonical_name": "fist", "aliases": ["power"]}, "1f91b": {"canonical_name": "left_fist", "aliases": []}, "1f91c": {"canonical_name": "right_fist", "aliases": []}, "1f91e": {"canonical_name": "fingers_crossed", "aliases": []}, # seems to be mostly used as peace on twitter "270c": {"canonical_name": "peace_sign", "aliases": ["victory"]}, # https://emojipedia.org/sign-of-the-horns/ "1f918": {"canonical_name": "rock_on", "aliases": ["sign_of_the_horns"]}, # got_it seems like a natural addition "1f44c": {"canonical_name": "ok", "aliases": ["got_it"]}, "1f448": {"canonical_name": "point_left", "aliases": []}, "1f449": {"canonical_name": "point_right", "aliases": []}, # :this: is a way of emphasizing the previous message. point_up instead of # point_up_2 so that point_up better matches the other point_*s "1f446": {"canonical_name": "point_up", "aliases": ["this"]}, "1f447": {"canonical_name": "point_down", "aliases": []}, # People/114 is point_up. These seemed better than naming it point_up_2, # and point_of_information means it will come up in typeahead for 'point' "261d": { "canonical_name": "wait_one_second", "aliases": ["point_of_information", "asking_a_question"], }, "270b": {"canonical_name": "hand", "aliases": ["raised_hand"]}, # seems like best emoji for stop, raised_back_of_hand doesn't seem that # useful "1f91a": {"canonical_name": "stop", "aliases": []}, # seems like best emoji for high_five, raised_hand_with_fingers_splayed # doesn't seem that useful "1f590": {"canonical_name": "high_five", "aliases": ["palm"]}, # https://mashable.com/2015/10/23/ios-9-1-emoji-guide/ "1f596": {"canonical_name": "spock", "aliases": ["live_long_and_prosper"]}, # People/119 is a better 'hi', but 'hi' will never show up in the typeahead # due to 'high_five' "1f44b": {"canonical_name": "wave", "aliases": ["hello", "hi"]}, "1f919": {"canonical_name": "call_me", "aliases": []}, # flexed_biceps from gemoji/Unicode, strong seemed like a good addition "1f4aa": {"canonical_name": "muscle", "aliases": []}, "1f595": {"canonical_name": "middle_finger", "aliases": []}, "270d": {"canonical_name": "writing", "aliases": []}, "1f933": {"canonical_name": "selfie", "aliases": []}, # Couldn't figure out why iamcal chose nail_care. Unicode uses nail_polish, # gemoji uses both "1f485": {"canonical_name": "nail_polish", "aliases": ["nail_care"]}, "1f48d": {"canonical_name": "ring", "aliases": []}, "1f484": {"canonical_name": "lipstick", "aliases": []}, # People/18 seems like a better kiss for most circumstances "1f48b": {"canonical_name": "lipstick_kiss", "aliases": []}, # mouth from gemoji/Unicode "1f444": {"canonical_name": "lips", "aliases": ["mouth"]}, "1f445": {"canonical_name": "tongue", "aliases": []}, "1f442": {"canonical_name": "ear", "aliases": []}, "1f443": {"canonical_name": "nose", "aliases": []}, # seems a better feet than Nature/86 (paw_prints) "1f463": {"canonical_name": "footprints", "aliases": ["feet"]}, "1f441": {"canonical_name": "eye", "aliases": []}, # seemed the best emoji for looking "1f440": {"canonical_name": "eyes", "aliases": ["looking"]}, "1f5e3": {"canonical_name": "speaking_head", "aliases": []}, # shadow seems like a good addition "1f464": {"canonical_name": "silhouette", "aliases": ["shadow"]}, # to parallel People/139 "1f465": {"canonical_name": "silhouettes", "aliases": ["shadows"]}, "1f476": {"canonical_name": "baby", "aliases": []}, "1f466": {"canonical_name": "boy", "aliases": []}, "1f467": {"canonical_name": "girl", "aliases": []}, "1f468": {"canonical_name": "man", "aliases": []}, "1f469": {"canonical_name": "woman", "aliases": []}, # It's used on twitter a bunch, either when showing off hair, or in a way # where People/144 would substitute. It'd be nice if there were another # emoji one could use for "good hair", but I think not a big loss to not # have one for Zulip, and not worth the eurocentrism. # '1f471': {'canonical_name': 'X', 'aliases': ['person_with_blond_hair']}, # Added elderly since I think some people prefer that term "1f474": {"canonical_name": "older_man", "aliases": ["elderly_man"]}, # Added elderly since I think some people prefer that term "1f475": {"canonical_name": "older_woman", "aliases": ["elderly_woman"]}, "1f472": {"canonical_name": "gua_pi_mao", "aliases": []}, "1f473": {"canonical_name": "turban", "aliases": []}, # police seems like a more polite term, and matches the Unicode "1f46e": {"canonical_name": "police", "aliases": ["cop"]}, "1f477": {"canonical_name": "construction_worker", "aliases": []}, "1f482": {"canonical_name": "guard", "aliases": []}, # detective from gemoji, sneaky from # https://mashable.com/2015/10/23/ios-9-1-emoji-guide/, agent seems a # reasonable addition "1f575": {"canonical_name": "detective", "aliases": ["spy", "sleuth", "agent", "sneaky"]}, # mrs_claus from https://emojipedia.org/mother-christmas/ "1f936": {"canonical_name": "mother_christmas", "aliases": ["mrs_claus"]}, "1f385": {"canonical_name": "santa", "aliases": []}, "1f478": {"canonical_name": "princess", "aliases": []}, "1f934": {"canonical_name": "prince", "aliases": []}, "1f470": {"canonical_name": "bride", "aliases": []}, "1f935": {"canonical_name": "tuxedo", "aliases": []}, "1f47c": {"canonical_name": "angel", "aliases": []}, # expecting seems like a good addition "1f930": {"canonical_name": "pregnant", "aliases": ["expecting"]}, "1f647": {"canonical_name": "bow", "aliases": []}, # mostly used sassily. person_tipping_hand from # https://emojipedia.org/information-desk-person/ "1f481": {"canonical_name": "information_desk_person", "aliases": ["person_tipping_hand"]}, # no_signal to parallel People/207. Nope seems like a reasonable addition "1f645": {"canonical_name": "no_signal", "aliases": ["nope"]}, "1f646": {"canonical_name": "ok_signal", "aliases": []}, # pick_me seems like a good addition "1f64b": {"canonical_name": "raising_hand", "aliases": ["pick_me"]}, "1f926": {"canonical_name": "face_palm", "aliases": []}, "1f937": {"canonical_name": "shrug", "aliases": []}, "1f64e": {"canonical_name": "person_pouting", "aliases": []}, "1f64d": {"canonical_name": "person_frowning", "aliases": []}, "1f487": {"canonical_name": "haircut", "aliases": []}, "1f486": {"canonical_name": "massage", "aliases": []}, # hover seems like a reasonable addition "1f574": {"canonical_name": "levitating", "aliases": ["hover"]}, "1f483": {"canonical_name": "dancer", "aliases": []}, "1f57a": {"canonical_name": "dancing", "aliases": ["disco"]}, "1f46f": {"canonical_name": "dancers", "aliases": []}, # pedestrian seems like reasonable addition "1f6b6": {"canonical_name": "walking", "aliases": ["pedestrian"]}, "1f3c3": {"canonical_name": "running", "aliases": ["runner"]}, "1f46b": {"canonical_name": "man_and_woman_holding_hands", "aliases": ["man_and_woman_couple"]}, # to parallel People/234 "1f46d": {"canonical_name": "two_women_holding_hands", "aliases": ["women_couple"]}, # to parallel People/234 "1f46c": {"canonical_name": "two_men_holding_hands", "aliases": ["men_couple"]}, # no need for man-woman-boy, since we aren't including the other family # combos "1f46a": {"canonical_name": "family", "aliases": []}, "1f45a": {"canonical_name": "clothing", "aliases": []}, "1f455": {"canonical_name": "shirt", "aliases": ["tshirt"]}, # denim seems like a good addition "1f456": {"canonical_name": "jeans", "aliases": ["denim"]}, # tie is shorter, and a bit more general "1f454": {"canonical_name": "tie", "aliases": []}, "1f457": {"canonical_name": "dress", "aliases": []}, "1f459": {"canonical_name": "bikini", "aliases": []}, "1f458": {"canonical_name": "kimono", "aliases": []}, # I feel like this is always used in the plural "1f460": {"canonical_name": "high_heels", "aliases": []}, # flip_flops seems like a reasonable addition "1f461": {"canonical_name": "sandal", "aliases": ["flip_flops"]}, "1f462": {"canonical_name": "boot", "aliases": []}, "1f45e": {"canonical_name": "shoe", "aliases": []}, # running_shoe is from gemoji, sneaker seems like a reasonable addition "1f45f": {"canonical_name": "athletic_shoe", "aliases": ["sneaker", "running_shoe"]}, "1f452": {"canonical_name": "hat", "aliases": []}, "1f3a9": {"canonical_name": "top_hat", "aliases": []}, # graduate seems like a better word for this "1f393": {"canonical_name": "graduate", "aliases": ["mortar_board"]}, # king and queen seem like good additions "1f451": {"canonical_name": "crown", "aliases": ["queen", "king"]}, # safety and invincibility inspired by # https://mashable.com/2015/10/23/ios-9-1-emoji-guide/. hard_hat and # rescue_worker seem like good additions "26d1": { "canonical_name": "helmet", "aliases": ["hard_hat", "rescue_worker", "safety_first", "invincible"], }, # backpack from gemoji, dominates satchel on Google Trends "1f392": {"canonical_name": "backpack", "aliases": ["satchel"]}, "1f45d": {"canonical_name": "pouch", "aliases": []}, "1f45b": {"canonical_name": "purse", "aliases": []}, "1f45c": {"canonical_name": "handbag", "aliases": []}, "1f4bc": {"canonical_name": "briefcase", "aliases": []}, # glasses seems a more common term than eyeglasses, spectacles seems like a # reasonable synonym to add "1f453": {"canonical_name": "glasses", "aliases": ["spectacles"]}, "1f576": {"canonical_name": "dark_sunglasses", "aliases": []}, "1f302": {"canonical_name": "closed_umbrella", "aliases": []}, "2602": {"canonical_name": "umbrella", "aliases": []}, # Some animals have a Unicode codepoint "<animal>", some have a codepoint # "<animal> face", and some have both. If an animal has just a single # codepoint, we call it <animal>, regardless of what the codepoint is. If # an animal has both, we call the "<animal>" codepoint <animal>, and come # up with something else useful-seeming for the "<animal> face" codepoint. # The reason we chose "<animal> face" for the non-standard name (instead of # giving "<animal>" the non-standard name, as iamcal does) is because the # apple emoji for the "<animal>"s are too realistic. E.g. Apple's Nature/76 # is less plausibly a puppy than this one. "1f436": {"canonical_name": "puppy", "aliases": []}, "1f431": {"canonical_name": "kitten", "aliases": []}, "1f42d": {"canonical_name": "dormouse", "aliases": []}, "1f439": {"canonical_name": "hamster", "aliases": []}, "1f430": {"canonical_name": "bunny", "aliases": []}, "1f98a": {"canonical_name": "fox", "aliases": []}, "1f43b": {"canonical_name": "bear", "aliases": []}, "1f43c": {"canonical_name": "panda", "aliases": []}, "1f428": {"canonical_name": "koala", "aliases": []}, "1f42f": {"canonical_name": "tiger_cub", "aliases": []}, "1f981": {"canonical_name": "lion", "aliases": []}, "1f42e": {"canonical_name": "calf", "aliases": []}, "1f437": {"canonical_name": "piglet", "aliases": []}, "1f43d": {"canonical_name": "pig_nose", "aliases": []}, "1f438": {"canonical_name": "frog", "aliases": []}, "1f435": {"canonical_name": "monkey_face", "aliases": []}, "1f648": {"canonical_name": "see_no_evil", "aliases": []}, "1f649": {"canonical_name": "hear_no_evil", "aliases": []}, "1f64a": {"canonical_name": "speak_no_evil", "aliases": []}, "1f412": {"canonical_name": "monkey", "aliases": []}, # cluck seemed like a good addition "1f414": {"canonical_name": "chicken", "aliases": ["cluck"]}, "1f427": {"canonical_name": "penguin", "aliases": []}, "1f426": {"canonical_name": "bird", "aliases": []}, "1f424": {"canonical_name": "chick", "aliases": ["baby_chick"]}, "1f423": {"canonical_name": "hatching", "aliases": ["hatching_chick"]}, # https://www.iemoji.com/view/emoji/668/animals-nature/front-facing-baby-chick "1f425": {"canonical_name": "new_baby", "aliases": []}, "1f986": {"canonical_name": "duck", "aliases": []}, "1f985": {"canonical_name": "eagle", "aliases": []}, "1f989": {"canonical_name": "owl", "aliases": []}, "1f987": {"canonical_name": "bat", "aliases": []}, "1f43a": {"canonical_name": "wolf", "aliases": []}, "1f417": {"canonical_name": "boar", "aliases": []}, "1f434": {"canonical_name": "pony", "aliases": []}, "1f984": {"canonical_name": "unicorn", "aliases": []}, # buzz seemed like a reasonable addition "1f41d": {"canonical_name": "bee", "aliases": ["buzz", "honeybee"]}, # caterpillar seemed like a reasonable addition "1f41b": {"canonical_name": "bug", "aliases": ["caterpillar"]}, "1f98b": {"canonical_name": "butterfly", "aliases": []}, "1f40c": {"canonical_name": "snail", "aliases": []}, # spiral_shell from Unicode/gemoji, the others seemed like reasonable # additions "1f41a": {"canonical_name": "shell", "aliases": ["seashell", "conch", "spiral_shell"]}, # Unicode/gemoji have lady_beetle; hopefully with ladybug we get both the # people that prefer lady_beetle (with beetle) and ladybug. There is also # ladybird, but seems a bit much for this to complete for bird. "1f41e": {"canonical_name": "beetle", "aliases": ["ladybug"]}, "1f41c": {"canonical_name": "ant", "aliases": []}, "1f577": {"canonical_name": "spider", "aliases": []}, "1f578": {"canonical_name": "web", "aliases": ["spider_web"]}, # tortoise seemed like a reasonable addition "1f422": {"canonical_name": "turtle", "aliases": ["tortoise"]}, # put in a few animal sounds, including this one "1f40d": {"canonical_name": "snake", "aliases": ["hiss"]}, "1f98e": {"canonical_name": "lizard", "aliases": ["gecko"]}, "1f982": {"canonical_name": "scorpion", "aliases": []}, "1f980": {"canonical_name": "crab", "aliases": []}, "1f991": {"canonical_name": "squid", "aliases": []}, "1f419": {"canonical_name": "octopus", "aliases": []}, "1f990": {"canonical_name": "shrimp", "aliases": []}, "1f420": {"canonical_name": "tropical_fish", "aliases": []}, "1f41f": {"canonical_name": "fish", "aliases": []}, "1f421": {"canonical_name": "blowfish", "aliases": []}, "1f42c": {"canonical_name": "dolphin", "aliases": ["flipper"]}, "1f988": {"canonical_name": "shark", "aliases": []}, "1f433": {"canonical_name": "whale", "aliases": []}, # https://emojipedia.org/whale/ "1f40b": {"canonical_name": "humpback_whale", "aliases": []}, "1f40a": {"canonical_name": "crocodile", "aliases": []}, "1f406": {"canonical_name": "leopard", "aliases": []}, "1f405": {"canonical_name": "tiger", "aliases": []}, "1f403": {"canonical_name": "water_buffalo", "aliases": []}, "1f402": {"canonical_name": "ox", "aliases": ["bull"]}, "1f404": {"canonical_name": "cow", "aliases": []}, "1f98c": {"canonical_name": "deer", "aliases": []}, # https://emojipedia.org/dromedary-camel/ "1f42a": {"canonical_name": "arabian_camel", "aliases": []}, "1f42b": {"canonical_name": "camel", "aliases": []}, "1f418": {"canonical_name": "elephant", "aliases": []}, "1f98f": {"canonical_name": "rhinoceros", "aliases": []}, "1f98d": {"canonical_name": "gorilla", "aliases": []}, "1f40e": {"canonical_name": "horse", "aliases": []}, "1f416": {"canonical_name": "pig", "aliases": ["oink"]}, "1f410": {"canonical_name": "goat", "aliases": []}, "1f40f": {"canonical_name": "ram", "aliases": []}, "1f411": {"canonical_name": "sheep", "aliases": ["baa"]}, "1f415": {"canonical_name": "dog", "aliases": ["woof"]}, "1f429": {"canonical_name": "poodle", "aliases": []}, "1f408": {"canonical_name": "cat", "aliases": ["meow"]}, # alarm seemed like a fun addition "1f413": {"canonical_name": "rooster", "aliases": ["alarm", "cock-a-doodle-doo"]}, "1f983": {"canonical_name": "turkey", "aliases": []}, "1f54a": {"canonical_name": "dove", "aliases": ["dove_of_peace"]}, "1f407": {"canonical_name": "rabbit", "aliases": []}, "1f401": {"canonical_name": "mouse", "aliases": []}, "1f400": {"canonical_name": "rat", "aliases": []}, "1f43f": {"canonical_name": "chipmunk", "aliases": []}, # paws seemed like reasonable addition. Put feet at People/135 "1f43e": {"canonical_name": "paw_prints", "aliases": ["paws"]}, "1f409": {"canonical_name": "dragon", "aliases": []}, "1f432": {"canonical_name": "dragon_face", "aliases": []}, "1f335": {"canonical_name": "cactus", "aliases": []}, "1f384": {"canonical_name": "holiday_tree", "aliases": []}, "1f332": {"canonical_name": "evergreen_tree", "aliases": []}, "1f333": {"canonical_name": "tree", "aliases": ["deciduous_tree"]}, "1f334": {"canonical_name": "palm_tree", "aliases": []}, # sprout seemed like a reasonable addition "1f331": {"canonical_name": "seedling", "aliases": ["sprout"]}, # seemed like the best emoji for plant "1f33f": {"canonical_name": "herb", "aliases": ["plant"]}, # clover seemed like a reasonable addition "2618": {"canonical_name": "shamrock", "aliases": ["clover"]}, # lucky seems more useful "1f340": {"canonical_name": "lucky", "aliases": ["four_leaf_clover"]}, "1f38d": {"canonical_name": "bamboo", "aliases": []}, # https://emojipedia.org/tanabata-tree/ "1f38b": {"canonical_name": "wish_tree", "aliases": ["tanabata_tree"]}, # seemed like good additions. Used fall instead of autumn, since don't have # the rest of the seasons, and could imagine someone using both meanings of # fall. "1f343": {"canonical_name": "leaves", "aliases": ["wind", "fall"]}, "1f342": {"canonical_name": "fallen_leaf", "aliases": []}, "1f341": {"canonical_name": "maple_leaf", "aliases": []}, "1f344": {"canonical_name": "mushroom", "aliases": []}, # harvest seems more useful "1f33e": {"canonical_name": "harvest", "aliases": ["ear_of_rice"]}, "1f490": {"canonical_name": "bouquet", "aliases": []}, # seems like the best emoji for flower "1f337": {"canonical_name": "tulip", "aliases": ["flower"]}, "1f339": {"canonical_name": "rose", "aliases": []}, # crushed suggest by a user "1f940": {"canonical_name": "wilted_flower", "aliases": ["crushed"]}, "1f33b": {"canonical_name": "sunflower", "aliases": []}, "1f33c": {"canonical_name": "blossom", "aliases": []}, "1f338": {"canonical_name": "cherry_blossom", "aliases": []}, "1f33a": {"canonical_name": "hibiscus", "aliases": []}, "1f30e": {"canonical_name": "earth_americas", "aliases": []}, "1f30d": {"canonical_name": "earth_africa", "aliases": []}, "1f30f": {"canonical_name": "earth_asia", "aliases": []}, "1f315": {"canonical_name": "full_moon", "aliases": []}, # too many useless moons. Don't seem to get much use on twitter, and clog # up typeahead for moon. # '1f316': {'canonical_name': 'X', 'aliases': ['waning_crescent_moon']}, # '1f317': {'canonical_name': 'X', 'aliases': ['last_quarter_moon']}, # '1f318': {'canonical_name': 'X', 'aliases': ['waning_crescent_moon']}, "1f311": {"canonical_name": "new_moon", "aliases": []}, # '1f312': {'canonical_name': 'X', 'aliases': ['waxing_crescent_moon']}, # '1f313': {'canonical_name': 'X', 'aliases': ['first_quarter_moon']}, "1f314": {"canonical_name": "waxing_moon", "aliases": []}, "1f31a": {"canonical_name": "new_moon_face", "aliases": []}, "1f31d": {"canonical_name": "moon_face", "aliases": []}, "1f31e": {"canonical_name": "sun_face", "aliases": []}, # goodnight seems way more useful "1f31b": {"canonical_name": "goodnight", "aliases": []}, # '1f31c': {'canonical_name': 'X', 'aliases': ['last_quarter_moon_with_face']}, # seems like the best emoji for moon "1f319": {"canonical_name": "moon", "aliases": []}, # dizzy taken by People/54, had to come up with something else "1f4ab": {"canonical_name": "seeing_stars", "aliases": []}, "2b50": {"canonical_name": "star", "aliases": []}, # glowing_star from gemoji/Unicode "1f31f": {"canonical_name": "glowing_star", "aliases": []}, # glamour seems like a reasonable addition "2728": {"canonical_name": "sparkles", "aliases": ["glamour"]}, # high_voltage from gemoji/Unicode "26a1": {"canonical_name": "high_voltage", "aliases": ["zap"]}, # https://emojipedia.org/fire/ "1f525": {"canonical_name": "fire", "aliases": ["lit", "hot", "flame"]}, # explosion and crash seem like reasonable additions "1f4a5": {"canonical_name": "boom", "aliases": ["explosion", "crash", "collision"]}, # meteor seems like a reasonable addition "2604": {"canonical_name": "comet", "aliases": ["meteor"]}, "2600": {"canonical_name": "sunny", "aliases": []}, "1f324": {"canonical_name": "mostly_sunny", "aliases": []}, # partly_cloudy for the glass half empty people "26c5": {"canonical_name": "partly_sunny", "aliases": ["partly_cloudy"]}, "1f325": {"canonical_name": "cloudy", "aliases": []}, # sunshowers seems like a more fun term "1f326": { "canonical_name": "sunshowers", "aliases": ["sun_and_rain", "partly_sunny_with_rain"], }, # pride and lgbtq seem like reasonable additions "1f308": {"canonical_name": "rainbow", "aliases": ["pride", "lgbtq"]}, # overcast seems like a good addition "2601": {"canonical_name": "cloud", "aliases": ["overcast"]}, # suggested by user typing these into their typeahead. "1f327": {"canonical_name": "rainy", "aliases": ["soaked", "drenched"]}, # thunderstorm seems better for this emoji, and thunder_and_rain more # evocative than thunder_cloud_and_rain "26c8": {"canonical_name": "thunderstorm", "aliases": ["thunder_and_rain"]}, # lightning_storm seemed better than lightning_cloud "1f329": {"canonical_name": "lightning", "aliases": ["lightning_storm"]}, # snowy to parallel sunny, cloudy, etc; snowstorm seems like a good # addition "1f328": {"canonical_name": "snowy", "aliases": ["snowstorm"]}, "2603": {"canonical_name": "snowman", "aliases": []}, # don't need two snowmen. frosty is nice because it's a weather (primary # benefit) and also a snowman (one that suffered from not having snow, in # fact) "26c4": {"canonical_name": "frosty", "aliases": []}, "2744": {"canonical_name": "snowflake", "aliases": []}, # the internet didn't seem to have a good use for this emoji. windy is a # good weather that is otherwise not represented. mother_nature from # https://emojipedia.org/wind-blowing-face/ "1f32c": {"canonical_name": "windy", "aliases": ["mother_nature"]}, "1f4a8": {"canonical_name": "dash", "aliases": []}, # tornado_cloud comes from the Unicode, but e.g. gemoji drops the cloud "1f32a": {"canonical_name": "tornado", "aliases": []}, # hazy seemed like a good addition "1f32b": {"canonical_name": "fog", "aliases": ["hazy"]}, "1f30a": {"canonical_name": "ocean", "aliases": []}, # drop seems better than droplet, since could be used for its other # meanings. water drop partly so that it shows up in typeahead for water "1f4a7": {"canonical_name": "drop", "aliases": ["water_drop"]}, "1f4a6": {"canonical_name": "sweat_drops", "aliases": []}, "2614": {"canonical_name": "umbrella_with_rain", "aliases": []}, "1f34f": {"canonical_name": "green_apple", "aliases": []}, "1f34e": {"canonical_name": "apple", "aliases": []}, "1f350": {"canonical_name": "pear", "aliases": []}, # An argument for not calling this orange is to save the color for a color # swatch, but we can deal with that when it happens. Mandarin is from # https://emojipedia.org/tangerine/, also like that it has a second meaning "1f34a": {"canonical_name": "orange", "aliases": ["tangerine", "mandarin"]}, "1f34b": {"canonical_name": "lemon", "aliases": []}, "1f34c": {"canonical_name": "banana", "aliases": []}, "1f349": {"canonical_name": "watermelon", "aliases": []}, "1f347": {"canonical_name": "grapes", "aliases": []}, "1f353": {"canonical_name": "strawberry", "aliases": []}, "1f348": {"canonical_name": "melon", "aliases": []}, "1f352": {"canonical_name": "cherries", "aliases": []}, "1f351": {"canonical_name": "peach", "aliases": []}, "1f34d": {"canonical_name": "pineapple", "aliases": []}, "1f95d": {"canonical_name": "kiwi", "aliases": []}, "1f951": {"canonical_name": "avocado", "aliases": []}, "1f345": {"canonical_name": "tomato", "aliases": []}, "1f346": {"canonical_name": "eggplant", "aliases": []}, "1f952": {"canonical_name": "cucumber", "aliases": []}, "1f955": {"canonical_name": "carrot", "aliases": []}, # maize is from Unicode "1f33d": {"canonical_name": "corn", "aliases": ["maize"]}, # chili_pepper seems like a reasonable addition "1f336": {"canonical_name": "hot_pepper", "aliases": ["chili_pepper"]}, "1f954": {"canonical_name": "potato", "aliases": []}, # yam seems better than sweet_potato, since we already have a potato (not a # strong argument, but is better on the typeahead not to have emoji that # share long prefixes) "1f360": {"canonical_name": "yam", "aliases": ["sweet_potato"]}, "1f330": {"canonical_name": "chestnut", "aliases": []}, "1f95c": {"canonical_name": "peanuts", "aliases": []}, "1f36f": {"canonical_name": "honey", "aliases": []}, "1f950": {"canonical_name": "croissant", "aliases": []}, "1f35e": {"canonical_name": "bread", "aliases": []}, "1f956": {"canonical_name": "baguette", "aliases": []}, "1f9c0": {"canonical_name": "cheese", "aliases": []}, "1f95a": {"canonical_name": "egg", "aliases": []}, # already have an egg in Foods/31, though I guess wouldn't be a big deal to # add it here. "1f373": {"canonical_name": "cooking", "aliases": []}, "1f953": {"canonical_name": "bacon", "aliases": []}, # there's no lunch and dinner, which is a small negative against adding # breakfast "1f95e": {"canonical_name": "pancakes", "aliases": ["breakfast"]}, # There is already shrimp in Nature/51, and tempura seems like a better # description "1f364": {"canonical_name": "tempura", "aliases": []}, # drumstick seems like a better description "1f357": {"canonical_name": "drumstick", "aliases": ["poultry"]}, "1f356": {"canonical_name": "meat", "aliases": []}, "1f355": {"canonical_name": "pizza", "aliases": []}, "1f32d": {"canonical_name": "hotdog", "aliases": []}, "1f354": {"canonical_name": "hamburger", "aliases": []}, "1f35f": {"canonical_name": "fries", "aliases": []}, # https://emojipedia.org/stuffed-flatbread/ "1f959": { "canonical_name": "doner_kebab", "aliases": ["shawarma", "souvlaki", "stuffed_flatbread"], }, "1f32e": {"canonical_name": "taco", "aliases": []}, "1f32f": {"canonical_name": "burrito", "aliases": []}, "1f957": {"canonical_name": "salad", "aliases": []}, # I think Foods/49 is a better :food: "1f958": {"canonical_name": "paella", "aliases": []}, "1f35d": {"canonical_name": "spaghetti", "aliases": []}, # seems like the best noodles? maybe this should be Foods/47? Noodles seem # like a bigger thing in east asia than in europe, so going with that. "1f35c": {"canonical_name": "ramen", "aliases": ["noodles"]}, # seems like the best :food:. Also a reasonable :soup:, though the Google # one is indeed more a pot of food (the Unicode) than a soup "1f372": {"canonical_name": "food", "aliases": ["soup", "stew"]}, # naruto is actual name, and I think don't need this to autocomplete for # "fish" "1f365": {"canonical_name": "naruto", "aliases": []}, "1f363": {"canonical_name": "sushi", "aliases": []}, "1f371": {"canonical_name": "bento", "aliases": []}, "1f35b": {"canonical_name": "curry", "aliases": []}, "1f35a": {"canonical_name": "rice", "aliases": []}, # onigiri is actual name, and I think don't need this to typeahead complete # for "rice" "1f359": {"canonical_name": "onigiri", "aliases": []}, # leaving rice_cracker in, so that we have something for cracker "1f358": {"canonical_name": "senbei", "aliases": ["rice_cracker"]}, "1f362": {"canonical_name": "oden", "aliases": []}, "1f361": {"canonical_name": "dango", "aliases": []}, "1f367": {"canonical_name": "shaved_ice", "aliases": []}, # seemed like the best emoji for gelato "1f368": {"canonical_name": "ice_cream", "aliases": ["gelato"]}, # already have ice_cream in Foods/60, and soft_serve seems like a # potentially fun emoji to have in conjunction with ice_cream. Put in # soft_ice_cream so it typeahead completes on ice_cream as well. "1f366": {"canonical_name": "soft_serve", "aliases": ["soft_ice_cream"]}, "1f370": {"canonical_name": "cake", "aliases": []}, "1f382": {"canonical_name": "birthday", "aliases": []}, # flan seems like a reasonable addition "1f36e": {"canonical_name": "custard", "aliases": ["flan"]}, "1f36d": {"canonical_name": "lollipop", "aliases": []}, "1f36c": {"canonical_name": "candy", "aliases": []}, "1f36b": {"canonical_name": "chocolate", "aliases": []}, "1f37f": {"canonical_name": "popcorn", "aliases": []}, # donut dominates doughnut on # https://trends.google.com/trends/explore?q=doughnut,donut "1f369": {"canonical_name": "donut", "aliases": ["doughnut"]}, "1f36a": {"canonical_name": "cookie", "aliases": []}, "1f95b": {"canonical_name": "milk", "aliases": ["glass_of_milk"]}, "1f37c": {"canonical_name": "baby_bottle", "aliases": []}, "2615": {"canonical_name": "coffee", "aliases": []}, "1f375": {"canonical_name": "tea", "aliases": []}, "1f376": {"canonical_name": "sake", "aliases": []}, "1f37a": {"canonical_name": "beer", "aliases": []}, "1f37b": {"canonical_name": "beers", "aliases": []}, "1f942": {"canonical_name": "clink", "aliases": ["toast"]}, "1f377": {"canonical_name": "wine", "aliases": []}, # tumbler means something different in india, and don't want to use # shot_glass given our policy of using school-age-appropriate terms "1f943": {"canonical_name": "small_glass", "aliases": []}, "1f378": {"canonical_name": "cocktail", "aliases": []}, "1f379": {"canonical_name": "tropical_drink", "aliases": []}, "1f37e": {"canonical_name": "champagne", "aliases": []}, "1f944": {"canonical_name": "spoon", "aliases": []}, # Added eating_utensils so this would show up in typeahead for eat. "1f374": {"canonical_name": "fork_and_knife", "aliases": ["eating_utensils"]}, # Seems like the best emoji for hungry and meal. fork_and_knife_and_plate # is from gemoji/Unicode, and I think is better than the shorter iamcal # version in this case. The rest just seemed like good additions. "1f37d": { "canonical_name": "hungry", "aliases": ["meal", "table_setting", "fork_and_knife_with_plate", "lets_eat"], }, # most people interested in this sport call it football "26bd": {"canonical_name": "football", "aliases": ["soccer"]}, "1f3c0": {"canonical_name": "basketball", "aliases": []}, # to distinguish from Activity/1, but is also the Unicode name "1f3c8": {"canonical_name": "american_football", "aliases": []}, "26be": {"canonical_name": "baseball", "aliases": []}, "1f3be": {"canonical_name": "tennis", "aliases": []}, "1f3d0": {"canonical_name": "volleyball", "aliases": []}, "1f3c9": {"canonical_name": "rugby", "aliases": []}, # https://emojipedia.org/billiards/ suggests this is actually used for # billiards, not for "unlucky" or "losing" or some other connotation of # 8ball. The Unicode name is billiards. "1f3b1": {"canonical_name": "billiards", "aliases": ["pool", "8_ball"]}, # ping pong is the Unicode name, and seems slightly more popular on # https://trends.google.com/trends/explore?q=table%20tennis,ping%20pong "1f3d3": {"canonical_name": "ping_pong", "aliases": ["table_tennis"]}, "1f3f8": {"canonical_name": "badminton", "aliases": []}, # gooooooooal seems more useful of a name, though arguably this isn't the # best emoji for it "1f945": {"canonical_name": "gooooooooal", "aliases": ["goal"]}, "1f3d2": {"canonical_name": "ice_hockey", "aliases": []}, "1f3d1": {"canonical_name": "field_hockey", "aliases": []}, # would say bat, but taken by Nature/30 "1f3cf": {"canonical_name": "cricket", "aliases": ["cricket_bat"]}, # hole_in_one seems like a more useful name to have. Sent golf to # Activity/39 "26f3": {"canonical_name": "hole_in_one", "aliases": []}, # archery seems like a reasonable addition "1f3f9": {"canonical_name": "bow_and_arrow", "aliases": ["archery"]}, "1f3a3": {"canonical_name": "fishing", "aliases": []}, "1f94a": {"canonical_name": "boxing_glove", "aliases": []}, # keikogi and dogi are the actual names for this, I believe. black_belt is # I think a more useful name here "1f94b": {"canonical_name": "black_belt", "aliases": ["keikogi", "dogi", "martial_arts"]}, "26f8": {"canonical_name": "ice_skate", "aliases": []}, "1f3bf": {"canonical_name": "ski", "aliases": []}, "26f7": {"canonical_name": "skier", "aliases": []}, "1f3c2": {"canonical_name": "snowboarder", "aliases": []}, # lift is both what lifters call it, and potentially can be used more # generally than weight_lift. The others seemed like good additions. "1f3cb": {"canonical_name": "lift", "aliases": ["work_out", "weight_lift", "gym"]}, # The decisions on tenses here and in the rest of the sports section are # mostly from gut feel. The Unicode itself is all over the place. "1f93a": {"canonical_name": "fencing", "aliases": []}, "1f93c": {"canonical_name": "wrestling", "aliases": []}, # seemed like reasonable additions "1f938": {"canonical_name": "cartwheel", "aliases": ["acrobatics", "gymnastics", "tumbling"]}, # seemed the best emoji for sports "26f9": {"canonical_name": "ball", "aliases": ["sports"]}, "1f93e": {"canonical_name": "handball", "aliases": []}, "1f3cc": {"canonical_name": "golf", "aliases": []}, "1f3c4": {"canonical_name": "surf", "aliases": []}, "1f3ca": {"canonical_name": "swim", "aliases": []}, "1f93d": {"canonical_name": "water_polo", "aliases": []}, # rest seem like reasonable additions "1f6a3": {"canonical_name": "rowboat", "aliases": ["crew", "sculling", "rowing"]}, # horse_riding seems like a reasonable addition "1f3c7": {"canonical_name": "horse_racing", "aliases": ["horse_riding"]}, # at least in the US: this = cyclist, Activity/53 = mountain biker, and # motorcyclist = biker. Mainly from googling around and personal # experience. E.g. https://grammarist.com/usage/cyclist-biker/ for cyclist # and biker, # https://www.theguardian.com/lifeandstyle/2010/oct/24/bike-snobs-guide-cycling-tribes # for mountain biker (I've never heard the term "mountain cyclist", and # they are the only group on that page that gets "biker" instead of # "cyclist") "1f6b4": {"canonical_name": "cyclist", "aliases": []}, # see Activity/51 "1f6b5": {"canonical_name": "mountain_biker", "aliases": []}, "1f3bd": {"canonical_name": "running_shirt", "aliases": []}, # I feel like people call sports medals "medals", and military medals # "military medals". Also see Activity/56 "1f3c5": {"canonical_name": "medal", "aliases": []}, # See Activity/55. military_medal is the gemoji/Unicode "1f396": {"canonical_name": "military_medal", "aliases": []}, # gold and number_one seem like good additions "1f947": {"canonical_name": "first_place", "aliases": ["gold", "number_one"]}, # to parallel Activity/57 "1f948": {"canonical_name": "second_place", "aliases": ["silver"]}, # to parallel Activity/57 "1f949": {"canonical_name": "third_place", "aliases": ["bronze"]}, # seemed the best emoji for winner "1f3c6": {"canonical_name": "trophy", "aliases": ["winner"]}, "1f3f5": {"canonical_name": "rosette", "aliases": []}, "1f397": {"canonical_name": "reminder_ribbon", "aliases": []}, # don't need ticket and admission_ticket (see Activity/64), so made one of # them :pass:. "1f3ab": {"canonical_name": "pass", "aliases": []}, # see Activity/63 "1f39f": {"canonical_name": "ticket", "aliases": []}, "1f3aa": {"canonical_name": "circus", "aliases": []}, "1f939": {"canonical_name": "juggling", "aliases": []}, # rest seem like good additions "1f3ad": {"canonical_name": "performing_arts", "aliases": ["drama", "theater"]}, # rest seem like good additions "1f3a8": {"canonical_name": "art", "aliases": ["palette", "painting"]}, # action seems more useful than clapper, and clapper doesn't seem like that # common of a term "1f3ac": {"canonical_name": "action", "aliases": []}, # seem like good additions "1f3a4": {"canonical_name": "microphone", "aliases": ["mike", "mic"]}, "1f3a7": {"canonical_name": "headphones", "aliases": []}, "1f3bc": {"canonical_name": "musical_score", "aliases": []}, # piano seems more useful than musical_keyboard "1f3b9": {"canonical_name": "piano", "aliases": ["musical_keyboard"]}, "1f941": {"canonical_name": "drum", "aliases": []}, "1f3b7": {"canonical_name": "saxophone", "aliases": []}, "1f3ba": {"canonical_name": "trumpet", "aliases": []}, "1f3b8": {"canonical_name": "guitar", "aliases": []}, "1f3bb": {"canonical_name": "violin", "aliases": []}, # dice seems more useful "1f3b2": {"canonical_name": "dice", "aliases": ["die"]}, # direct_hit from gemoji/Unicode, and seems more useful. bulls_eye seemed # like a reasonable addition "1f3af": {"canonical_name": "direct_hit", "aliases": ["darts", "bulls_eye"]}, # strike seemed more useful than bowling "1f3b3": {"canonical_name": "strike", "aliases": ["bowling"]}, "1f3ae": {"canonical_name": "video_game", "aliases": []}, # gambling seemed more useful than slot_machine "1f3b0": {"canonical_name": "slot_machine", "aliases": []}, # the Google emoji for this is not red "1f697": {"canonical_name": "car", "aliases": []}, # rideshare seems like a reasonable addition "1f695": {"canonical_name": "taxi", "aliases": ["rideshare"]}, # the Google emoji for this is not blue. recreational_vehicle is from # gemoji/Unicode, jeep seemed like a good addition "1f699": {"canonical_name": "recreational_vehicle", "aliases": ["jeep"]}, # school_bus seemed like a reasonable addition, even though the twitter # glyph for this doesn't really look like a school bus "1f68c": {"canonical_name": "bus", "aliases": ["school_bus"]}, "1f68e": {"canonical_name": "trolley", "aliases": []}, "1f3ce": {"canonical_name": "racecar", "aliases": []}, "1f693": {"canonical_name": "police_car", "aliases": []}, "1f691": {"canonical_name": "ambulance", "aliases": []}, # https://trends.google.com/trends/explore?q=fire%20truck,fire%20engine "1f692": {"canonical_name": "fire_truck", "aliases": ["fire_engine"]}, "1f690": {"canonical_name": "minibus", "aliases": []}, # moving_truck and truck for Places/11 and Places/12 seem much better than # the iamcal names "1f69a": {"canonical_name": "moving_truck", "aliases": []}, # see Places/11 for truck. Rest seem reasonable additions. "1f69b": { "canonical_name": "truck", "aliases": ["tractor-trailer", "big_rig", "semi_truck", "transport_truck"], }, "1f69c": {"canonical_name": "tractor", "aliases": []}, # kick_scooter and scooter seem better for Places/14 and Places /16 than # scooter and motor_scooter. "1f6f4": {"canonical_name": "kick_scooter", "aliases": []}, "1f6b2": {"canonical_name": "bike", "aliases": ["bicycle"]}, # see Places/14. Called motor_bike (or bike) in India "1f6f5": {"canonical_name": "scooter", "aliases": ["motor_bike"]}, "1f3cd": {"canonical_name": "motorcycle", "aliases": []}, # siren seems more useful. alert seems like a reasonable addition "1f6a8": {"canonical_name": "siren", "aliases": ["rotating_light", "alert"]}, "1f694": {"canonical_name": "oncoming_police_car", "aliases": []}, "1f68d": {"canonical_name": "oncoming_bus", "aliases": []}, # car to parallel e.g. Places/1 "1f698": {"canonical_name": "oncoming_car", "aliases": ["oncoming_automobile"]}, "1f696": {"canonical_name": "oncoming_taxi", "aliases": []}, # ski_lift seems like a good addition "1f6a1": {"canonical_name": "aerial_tramway", "aliases": ["ski_lift"]}, # gondola seems more useful "1f6a0": {"canonical_name": "gondola", "aliases": ["mountain_cableway"]}, "1f69f": {"canonical_name": "suspension_railway", "aliases": []}, # train_car seems like a reasonable addition "1f683": {"canonical_name": "railway_car", "aliases": ["train_car"]}, # this does not seem like a good emoji for train, especially compared to # Places/33. streetcar seems like a good addition. "1f68b": {"canonical_name": "tram", "aliases": ["streetcar"]}, "1f69e": {"canonical_name": "mountain_railway", "aliases": []}, # elevated_train seems like a reasonable addition "1f69d": {"canonical_name": "monorail", "aliases": ["elevated_train"]}, # from gemoji/Unicode. Also, don't think we need two bullettrain's "1f684": {"canonical_name": "high_speed_train", "aliases": []}, # Google, Wikipedia, etc. prefer bullet train to bullettrain "1f685": {"canonical_name": "bullet_train", "aliases": []}, "1f688": {"canonical_name": "light_rail", "aliases": []}, "1f682": {"canonical_name": "train", "aliases": ["steam_locomotive"]}, # oncoming_train seems better than train2 "1f686": {"canonical_name": "oncoming_train", "aliases": []}, # saving metro for Symbols/108. The tunnel makes subway more appropriate # anyway. "1f687": {"canonical_name": "subway", "aliases": []}, # all the glyphs of oncoming vehicles have names like oncoming_*. The # alternate names are to parallel the alternates to Places/27. "1f68a": { "canonical_name": "oncoming_tram", "aliases": ["oncoming_streetcar", "oncoming_trolley"], }, "1f689": {"canonical_name": "station", "aliases": []}, "1f681": {"canonical_name": "helicopter", "aliases": []}, "1f6e9": {"canonical_name": "small_airplane", "aliases": []}, "2708": {"canonical_name": "airplane", "aliases": []}, # take_off seems more useful than airplane_departure. departure also seems # more useful than airplane_departure. Arguably departure should be the # primary, since arrival is probably more useful than landing in Places/42, # but going with this for now. "1f6eb": {"canonical_name": "take_off", "aliases": ["departure", "airplane_departure"]}, # parallel to Places/41 "1f6ec": {"canonical_name": "landing", "aliases": ["arrival", "airplane_arrival"]}, "1f680": {"canonical_name": "rocket", "aliases": []}, "1f6f0": {"canonical_name": "satellite", "aliases": []}, "1f4ba": {"canonical_name": "seat", "aliases": []}, "1f6f6": {"canonical_name": "canoe", "aliases": []}, "26f5": {"canonical_name": "boat", "aliases": ["sailboat"]}, "1f6e5": {"canonical_name": "motor_boat", "aliases": []}, "1f6a4": {"canonical_name": "speedboat", "aliases": []}, # yacht and cruise seem like reasonable additions "1f6f3": {"canonical_name": "passenger_ship", "aliases": ["yacht", "cruise"]}, "26f4": {"canonical_name": "ferry", "aliases": []}, "1f6a2": {"canonical_name": "ship", "aliases": []}, "2693": {"canonical_name": "anchor", "aliases": []}, # there already is a construction in Places/82, and work_in_progress seems # like a useful thing to have. Construction_zone seems better than the # Unicode construction_sign, and is there partly so this autocompletes for # construction. "1f6a7": {"canonical_name": "work_in_progress", "aliases": ["construction_zone"]}, # alternates from https://emojipedia.org/fuel-pump/. Unicode is fuel_pump, # not fuelpump "26fd": {"canonical_name": "fuel_pump", "aliases": ["gas_pump", "petrol_pump"]}, # not sure why iamcal removed the space "1f68f": {"canonical_name": "bus_stop", "aliases": []}, # https://emojipedia.org/vertical-traffic-light/ thinks this is the more # common of the two traffic lights, so putting traffic_light on this one "1f6a6": {"canonical_name": "traffic_light", "aliases": ["vertical_traffic_light"]}, # see Places/57 "1f6a5": {"canonical_name": "horizontal_traffic_light", "aliases": []}, # road_trip from https://mashable.com/2015/10/23/ios-9-1-emoji-guide/ "1f5fa": {"canonical_name": "map", "aliases": ["world_map", "road_trip"]}, # rock_carving, statue, and tower seem more general and less culturally # specific, for Places/60, 61, and 63. "1f5ff": {"canonical_name": "rock_carving", "aliases": ["moyai"]}, # new_york from https://emojipedia.org/statue-of-liberty/. see Places/60 # for statue "1f5fd": {"canonical_name": "statue", "aliases": ["new_york", "statue_of_liberty"]}, "26f2": {"canonical_name": "fountain", "aliases": []}, # see Places/60 "1f5fc": {"canonical_name": "tower", "aliases": ["tokyo_tower"]}, # choosing this as the castle since castles are a way bigger thing in # europe than japan, and shiro is a pretty reasonable name for Places/65 "1f3f0": {"canonical_name": "castle", "aliases": []}, # see Places/64 "1f3ef": {"canonical_name": "shiro", "aliases": []}, "1f3df": {"canonical_name": "stadium", "aliases": []}, "1f3a1": {"canonical_name": "ferris_wheel", "aliases": []}, "1f3a2": {"canonical_name": "roller_coaster", "aliases": []}, # merry_go_round seems like a good addition "1f3a0": {"canonical_name": "carousel", "aliases": ["merry_go_round"]}, # beach_umbrella seems more useful "26f1": {"canonical_name": "beach_umbrella", "aliases": []}, "1f3d6": {"canonical_name": "beach", "aliases": []}, "1f3dd": {"canonical_name": "island", "aliases": []}, "26f0": {"canonical_name": "mountain", "aliases": []}, "1f3d4": {"canonical_name": "snowy_mountain", "aliases": []}, # already lots of other mountains, otherwise would rename this like # Places/60 "1f5fb": {"canonical_name": "mount_fuji", "aliases": []}, "1f30b": {"canonical_name": "volcano", "aliases": []}, "1f3dc": {"canonical_name": "desert", "aliases": []}, # campsite from https://emojipedia.org/camping/, I think Places/79 is a # better camping "1f3d5": {"canonical_name": "campsite", "aliases": []}, "26fa": {"canonical_name": "tent", "aliases": ["camping"]}, "1f6e4": {"canonical_name": "railway_track", "aliases": ["train_tracks"]}, # road is used much more frequently at # https://trends.google.com/trends/explore?q=road,motorway "1f6e3": {"canonical_name": "road", "aliases": ["motorway"]}, "1f3d7": {"canonical_name": "construction", "aliases": []}, "1f3ed": {"canonical_name": "factory", "aliases": []}, "1f3e0": {"canonical_name": "house", "aliases": []}, # suburb seems more useful "1f3e1": {"canonical_name": "suburb", "aliases": []}, "1f3d8": {"canonical_name": "houses", "aliases": []}, # condemned seemed like a good addition "1f3da": {"canonical_name": "derelict_house", "aliases": ["condemned"]}, "1f3e2": {"canonical_name": "office", "aliases": []}, "1f3ec": {"canonical_name": "department_store", "aliases": []}, "1f3e3": {"canonical_name": "japan_post", "aliases": []}, "1f3e4": {"canonical_name": "post_office", "aliases": []}, "1f3e5": {"canonical_name": "hospital", "aliases": []}, "1f3e6": {"canonical_name": "bank", "aliases": []}, "1f3e8": {"canonical_name": "hotel", "aliases": []}, "1f3ea": {"canonical_name": "convenience_store", "aliases": []}, "1f3eb": {"canonical_name": "school", "aliases": []}, "1f3e9": {"canonical_name": "love_hotel", "aliases": []}, "1f492": {"canonical_name": "wedding", "aliases": []}, "1f3db": {"canonical_name": "classical_building", "aliases": []}, "26ea": {"canonical_name": "church", "aliases": []}, "1f54c": {"canonical_name": "mosque", "aliases": []}, "1f54d": {"canonical_name": "synagogue", "aliases": []}, "1f54b": {"canonical_name": "kaaba", "aliases": []}, "26e9": {"canonical_name": "shinto_shrine", "aliases": []}, "1f5fe": {"canonical_name": "japan", "aliases": []}, # rice_scene seems like a strange name to have. gemoji alternate is # moon_ceremony "1f391": {"canonical_name": "moon_ceremony", "aliases": []}, "1f3de": {"canonical_name": "national_park", "aliases": []}, # ocean_sunrise to parallel Places/109 "1f305": {"canonical_name": "sunrise", "aliases": ["ocean_sunrise"]}, "1f304": {"canonical_name": "mountain_sunrise", "aliases": []}, # shooting_star and wish seem like way better descriptions. gemoji/Unicode # is shooting_star "1f320": {"canonical_name": "shooting_star", "aliases": ["wish"]}, "1f387": {"canonical_name": "sparkler", "aliases": []}, "1f386": {"canonical_name": "fireworks", "aliases": []}, "1f307": {"canonical_name": "city_sunrise", "aliases": []}, "1f306": {"canonical_name": "sunset", "aliases": []}, # city and skyline seem more useful than cityscape "1f3d9": {"canonical_name": "city", "aliases": ["skyline"]}, "1f303": {"canonical_name": "night", "aliases": []}, # night_sky seems like a good addition "1f30c": {"canonical_name": "milky_way", "aliases": ["night_sky"]}, "1f309": {"canonical_name": "bridge", "aliases": []}, "1f301": {"canonical_name": "foggy", "aliases": []}, "231a": {"canonical_name": "watch", "aliases": []}, # Unicode/gemoji is mobile_phone. The rest seem like good additions "1f4f1": {"canonical_name": "mobile_phone", "aliases": ["smartphone", "iphone", "android"]}, "1f4f2": {"canonical_name": "calling", "aliases": []}, # gemoji has laptop, even though the Google emoji for this does not look # like a laptop "1f4bb": {"canonical_name": "computer", "aliases": ["laptop"]}, "2328": {"canonical_name": "keyboard", "aliases": []}, "1f5a5": {"canonical_name": "desktop_computer", "aliases": []}, "1f5a8": {"canonical_name": "printer", "aliases": []}, # gemoji/Unicode is computer_mouse "1f5b1": {"canonical_name": "computer_mouse", "aliases": []}, "1f5b2": {"canonical_name": "trackball", "aliases": []}, # arcade seems like a reasonable addition "1f579": {"canonical_name": "joystick", "aliases": ["arcade"]}, # vise seems like a reasonable addition "1f5dc": {"canonical_name": "compression", "aliases": ["vise"]}, # gold record seems more useful, idea came from # https://11points.com/11-emoji-different-meanings-think/ "1f4bd": {"canonical_name": "gold_record", "aliases": ["minidisc"]}, "1f4be": {"canonical_name": "floppy_disk", "aliases": []}, "1f4bf": {"canonical_name": "cd", "aliases": []}, "1f4c0": {"canonical_name": "dvd", "aliases": []}, # videocassette from gemoji/Unicode "1f4fc": {"canonical_name": "vhs", "aliases": ["videocassette"]}, "1f4f7": {"canonical_name": "camera", "aliases": []}, # both of these seem more useful than camera_with_flash "1f4f8": {"canonical_name": "taking_a_picture", "aliases": ["say_cheese"]}, # video_recorder seems like a reasonable addition "1f4f9": {"canonical_name": "video_camera", "aliases": ["video_recorder"]}, "1f3a5": {"canonical_name": "movie_camera", "aliases": []}, # seems like the best emoji for movie "1f4fd": {"canonical_name": "projector", "aliases": ["movie"]}, "1f39e": {"canonical_name": "film", "aliases": []}, # both of these seem more useful than telephone_receiver "1f4de": {"canonical_name": "landline", "aliases": ["home_phone"]}, "260e": {"canonical_name": "phone", "aliases": ["telephone"]}, "1f4df": {"canonical_name": "pager", "aliases": []}, "1f4e0": {"canonical_name": "fax", "aliases": []}, "1f4fa": {"canonical_name": "tv", "aliases": ["television"]}, "1f4fb": {"canonical_name": "radio", "aliases": []}, "1f399": {"canonical_name": "studio_microphone", "aliases": []}, # volume seems more useful "1f39a": {"canonical_name": "volume", "aliases": ["level_slider"]}, "1f39b": {"canonical_name": "control_knobs", "aliases": []}, "23f1": {"canonical_name": "stopwatch", "aliases": []}, "23f2": {"canonical_name": "timer", "aliases": []}, "23f0": {"canonical_name": "alarm_clock", "aliases": []}, "1f570": {"canonical_name": "mantelpiece_clock", "aliases": []}, # times_up and time_ticking seem more useful than the hourglass names "231b": {"canonical_name": "times_up", "aliases": ["hourglass_done"]}, # seems like the better hourglass. Also see Objects/36 "23f3": {"canonical_name": "time_ticking", "aliases": ["hourglass"]}, "1f4e1": {"canonical_name": "satellite_antenna", "aliases": []}, # seems like a reasonable addition "1f50b": {"canonical_name": "battery", "aliases": ["full_battery"]}, "1f50c": {"canonical_name": "electric_plug", "aliases": []}, # light_bulb seems better and from Unicode/gemoji. idea seems like a good # addition "1f4a1": {"canonical_name": "light_bulb", "aliases": ["bulb", "idea"]}, "1f526": {"canonical_name": "flashlight", "aliases": []}, "1f56f": {"canonical_name": "candle", "aliases": []}, # seems like a reasonable addition "1f5d1": {"canonical_name": "wastebasket", "aliases": ["trash_can"]}, # https://www.iemoji.com/view/emoji/1173/objects/oil-drum "1f6e2": {"canonical_name": "oil_drum", "aliases": ["commodities"]}, # losing money from https://emojipedia.org/money-with-wings/, # easy_come_easy_go seems like a reasonable addition "1f4b8": { "canonical_name": "losing_money", "aliases": ["easy_come_easy_go", "money_with_wings"], }, # I think the _bills, _banknotes etc versions of these are arguably more # fun to use in chat, and certainly match the glyphs better "1f4b5": {"canonical_name": "dollar_bills", "aliases": []}, "1f4b4": {"canonical_name": "yen_banknotes", "aliases": []}, "1f4b6": {"canonical_name": "euro_banknotes", "aliases": []}, "1f4b7": {"canonical_name": "pound_notes", "aliases": []}, "1f4b0": {"canonical_name": "money", "aliases": []}, "1f4b3": {"canonical_name": "credit_card", "aliases": ["debit_card"]}, "1f48e": {"canonical_name": "gem", "aliases": ["crystal"]}, # justice seems more useful "2696": {"canonical_name": "justice", "aliases": ["scales", "balance"]}, # fixing, at_work, and working_on_it seem like useful concepts for # workplace chat "1f527": {"canonical_name": "fixing", "aliases": ["wrench"]}, "1f528": {"canonical_name": "hammer", "aliases": ["maintenance", "handyman", "handywoman"]}, "2692": {"canonical_name": "at_work", "aliases": ["hammer_and_pick"]}, # something that might be useful for chat.zulip.org, even "1f6e0": {"canonical_name": "working_on_it", "aliases": ["hammer_and_wrench", "tools"]}, "26cf": {"canonical_name": "mine", "aliases": ["pick"]}, # screw is somewhat inappropriate, but not openly so, so leaving it in "1f529": {"canonical_name": "nut_and_bolt", "aliases": ["screw"]}, "2699": {"canonical_name": "gear", "aliases": ["settings", "mechanical", "engineer"]}, "26d3": {"canonical_name": "chains", "aliases": []}, "1f52b": {"canonical_name": "gun", "aliases": []}, "1f4a3": {"canonical_name": "bomb", "aliases": []}, # betrayed from https://www.iemoji.com/view/emoji/786/objects/kitchen-knife "1f52a": {"canonical_name": "knife", "aliases": ["hocho", "betrayed"]}, # rated_for_violence from # https://www.iemoji.com/view/emoji/1085/objects/dagger. hate (also # suggested there) seems too strong, as does just "violence". "1f5e1": {"canonical_name": "dagger", "aliases": ["rated_for_violence"]}, "2694": {"canonical_name": "duel", "aliases": ["swords"]}, "1f6e1": {"canonical_name": "shield", "aliases": []}, "1f6ac": {"canonical_name": "smoking", "aliases": []}, "26b0": {"canonical_name": "coffin", "aliases": ["burial", "grave"]}, "26b1": {"canonical_name": "funeral_urn", "aliases": ["cremation"]}, # amphora is too obscure, I think "1f3fa": {"canonical_name": "vase", "aliases": ["amphora"]}, "1f52e": {"canonical_name": "crystal_ball", "aliases": ["oracle", "future", "fortune_telling"]}, "1f4ff": {"canonical_name": "prayer_beads", "aliases": []}, "1f488": {"canonical_name": "barber", "aliases": ["striped_pole"]}, # alchemy seems more useful and less obscure "2697": {"canonical_name": "alchemy", "aliases": ["alembic"]}, "1f52d": {"canonical_name": "telescope", "aliases": []}, # science seems useful to have. scientist inspired by # https://www.iemoji.com/view/emoji/787/objects/microscope "1f52c": {"canonical_name": "science", "aliases": ["microscope", "scientist"]}, "1f573": {"canonical_name": "hole", "aliases": []}, "1f48a": {"canonical_name": "medicine", "aliases": ["pill"]}, "1f489": {"canonical_name": "injection", "aliases": ["syringe"]}, "1f321": {"canonical_name": "temperature", "aliases": ["thermometer", "warm"]}, "1f6bd": {"canonical_name": "toilet", "aliases": []}, "1f6b0": {"canonical_name": "potable_water", "aliases": ["tap_water", "drinking_water"]}, "1f6bf": {"canonical_name": "shower", "aliases": []}, "1f6c1": {"canonical_name": "bathtub", "aliases": []}, "1f6c0": {"canonical_name": "bath", "aliases": []}, # reception and services from # https://www.iemoji.com/view/emoji/1169/objects/bellhop-bell "1f6ce": {"canonical_name": "bellhop_bell", "aliases": ["reception", "services", "ding"]}, "1f511": {"canonical_name": "key", "aliases": []}, # encrypted from https://www.iemoji.com/view/emoji/1081/objects/old-key, # secret from https://mashable.com/2015/10/23/ios-9-1-emoji-guide/ "1f5dd": { "canonical_name": "secret", "aliases": ["dungeon", "old_key", "encrypted", "clue", "hint"], }, "1f6aa": {"canonical_name": "door", "aliases": []}, "1f6cb": { "canonical_name": "living_room", "aliases": ["furniture", "couch_and_lamp", "lifestyles"], }, "1f6cf": {"canonical_name": "bed", "aliases": ["bedroom"]}, # guestrooms from iemoji, would add hotel but taken by Places/94 "1f6cc": {"canonical_name": "in_bed", "aliases": ["accommodations", "guestrooms"]}, "1f5bc": {"canonical_name": "picture", "aliases": ["framed_picture"]}, "1f6cd": {"canonical_name": "shopping_bags", "aliases": []}, # https://trends.google.com/trends/explore?q=shopping%20cart,shopping%20trolley "1f6d2": {"canonical_name": "shopping_cart", "aliases": ["shopping_trolley"]}, "1f381": {"canonical_name": "gift", "aliases": ["present"]}, # seemed like the best celebration "1f388": {"canonical_name": "balloon", "aliases": ["celebration"]}, # from gemoji/Unicode "1f38f": {"canonical_name": "carp_streamer", "aliases": ["flags"]}, "1f380": {"canonical_name": "ribbon", "aliases": ["decoration"]}, "1f38a": {"canonical_name": "confetti", "aliases": ["party_ball"]}, "1f389": {"canonical_name": "tada", "aliases": []}, "1f38e": {"canonical_name": "dolls", "aliases": []}, "1f3ee": {"canonical_name": "lantern", "aliases": ["izakaya_lantern"]}, "1f390": {"canonical_name": "wind_chime", "aliases": []}, "2709": {"canonical_name": "email", "aliases": ["envelope", "mail"]}, # seems useful for chat? "1f4e9": {"canonical_name": "mail_sent", "aliases": ["sealed"]}, "1f4e8": {"canonical_name": "mail_received", "aliases": []}, "1f4e7": {"canonical_name": "e-mail", "aliases": []}, "1f48c": {"canonical_name": "love_letter", "aliases": []}, "1f4e5": {"canonical_name": "inbox", "aliases": []}, "1f4e4": {"canonical_name": "outbox", "aliases": []}, "1f4e6": {"canonical_name": "package", "aliases": []}, # price_tag from iemoji "1f3f7": {"canonical_name": "label", "aliases": ["tag", "price_tag"]}, "1f4ea": {"canonical_name": "closed_mailbox", "aliases": []}, "1f4eb": {"canonical_name": "mailbox", "aliases": []}, "1f4ec": {"canonical_name": "unread_mail", "aliases": []}, "1f4ed": {"canonical_name": "inbox_zero", "aliases": ["empty_mailbox", "no_mail"]}, "1f4ee": {"canonical_name": "mail_dropoff", "aliases": []}, "1f4ef": {"canonical_name": "horn", "aliases": []}, "1f4dc": {"canonical_name": "scroll", "aliases": []}, # receipt seems more useful? "1f4c3": {"canonical_name": "receipt", "aliases": []}, "1f4c4": {"canonical_name": "document", "aliases": ["paper", "file", "page"]}, "1f4d1": {"canonical_name": "place_holder", "aliases": []}, "1f4ca": {"canonical_name": "bar_chart", "aliases": []}, # seems like the best chart "1f4c8": {"canonical_name": "chart", "aliases": ["upwards_trend", "growing", "increasing"]}, "1f4c9": {"canonical_name": "downwards_trend", "aliases": ["shrinking", "decreasing"]}, "1f5d2": {"canonical_name": "spiral_notepad", "aliases": []}, # '1f5d3': {'canonical_name': 'X', 'aliases': ['spiral_calendar_pad']}, # swapped the following two largely due to the emojione glyphs "1f4c6": {"canonical_name": "date", "aliases": []}, "1f4c5": {"canonical_name": "calendar", "aliases": []}, "1f4c7": {"canonical_name": "rolodex", "aliases": ["card_index"]}, "1f5c3": {"canonical_name": "archive", "aliases": []}, "1f5f3": {"canonical_name": "ballot_box", "aliases": []}, "1f5c4": {"canonical_name": "file_cabinet", "aliases": []}, "1f4cb": {"canonical_name": "clipboard", "aliases": []}, # don't need two file_folders, so made this organize "1f4c1": {"canonical_name": "organize", "aliases": ["file_folder"]}, "1f4c2": {"canonical_name": "folder", "aliases": []}, "1f5c2": {"canonical_name": "sort", "aliases": []}, "1f5de": {"canonical_name": "newspaper", "aliases": ["swat"]}, "1f4f0": {"canonical_name": "headlines", "aliases": []}, "1f4d3": {"canonical_name": "notebook", "aliases": ["composition_book"]}, "1f4d4": {"canonical_name": "decorative_notebook", "aliases": []}, "1f4d2": {"canonical_name": "ledger", "aliases": ["spiral_notebook"]}, # the glyphs here are the same as Objects/147-149 (with a different color), # for all but Google "1f4d5": {"canonical_name": "red_book", "aliases": ["closed_book"]}, "1f4d7": {"canonical_name": "green_book", "aliases": []}, "1f4d8": {"canonical_name": "blue_book", "aliases": []}, "1f4d9": {"canonical_name": "orange_book", "aliases": []}, "1f4da": {"canonical_name": "books", "aliases": []}, "1f4d6": {"canonical_name": "book", "aliases": ["open_book"]}, "1f516": {"canonical_name": "bookmark", "aliases": []}, "1f517": {"canonical_name": "link", "aliases": []}, "1f4ce": {"canonical_name": "paperclip", "aliases": ["attachment"]}, # office_supplies from https://mashable.com/2015/10/23/ios-9-1-emoji-guide/ "1f587": {"canonical_name": "office_supplies", "aliases": ["paperclip_chain", "linked"]}, "1f4d0": {"canonical_name": "carpenter_square", "aliases": ["triangular_ruler"]}, "1f4cf": {"canonical_name": "ruler", "aliases": ["straightedge"]}, "1f4cc": {"canonical_name": "push_pin", "aliases": ["thumb_tack"]}, "1f4cd": {"canonical_name": "pin", "aliases": ["sewing_pin"]}, "2702": {"canonical_name": "scissors", "aliases": []}, "1f58a": {"canonical_name": "pen", "aliases": ["ballpoint_pen"]}, "1f58b": {"canonical_name": "fountain_pen", "aliases": []}, # three of the four emoji sets just have a rightwards-facing objects/162 # '2712': {'canonical_name': 'X', 'aliases': ['black_nib']}, "1f58c": {"canonical_name": "paintbrush", "aliases": []}, "1f58d": {"canonical_name": "crayon", "aliases": []}, "1f4dd": {"canonical_name": "memo", "aliases": ["note"]}, "270f": {"canonical_name": "pencil", "aliases": []}, "1f50d": {"canonical_name": "search", "aliases": ["find", "magnifying_glass"]}, # '1f50e': {'canonical_name': 'X', 'aliases': ['mag_right']}, # https://emojipedia.org/lock-with-ink-pen/ "1f50f": { "canonical_name": "privacy", "aliases": ["key_signing", "digital_security", "protected"], }, "1f510": { "canonical_name": "secure", "aliases": ["lock_with_key", "safe", "commitment", "loyalty"], }, "1f512": {"canonical_name": "locked", "aliases": []}, "1f513": {"canonical_name": "unlocked", "aliases": []}, # seems the best glyph for love and love_you "2764": {"canonical_name": "heart", "aliases": ["love", "love_you"]}, "1f49b": {"canonical_name": "yellow_heart", "aliases": ["heart_of_gold"]}, "1f49a": {"canonical_name": "green_heart", "aliases": ["envy"]}, "1f499": {"canonical_name": "blue_heart", "aliases": []}, "1f49c": {"canonical_name": "purple_heart", "aliases": ["bravery"]}, "1f5a4": {"canonical_name": "black_heart", "aliases": []}, "1f494": {"canonical_name": "broken_heart", "aliases": ["heartache"]}, "2763": {"canonical_name": "heart_exclamation", "aliases": []}, "1f495": {"canonical_name": "two_hearts", "aliases": []}, "1f49e": {"canonical_name": "revolving_hearts", "aliases": []}, "1f493": {"canonical_name": "heartbeat", "aliases": []}, "1f497": {"canonical_name": "heart_pulse", "aliases": ["growing_heart"]}, "1f496": {"canonical_name": "sparkling_heart", "aliases": []}, "1f498": {"canonical_name": "cupid", "aliases": ["smitten", "heart_arrow"]}, "1f49d": {"canonical_name": "gift_heart", "aliases": []}, "1f49f": {"canonical_name": "heart_box", "aliases": []}, "262e": {"canonical_name": "peace", "aliases": []}, "271d": {"canonical_name": "cross", "aliases": ["christianity"]}, "262a": {"canonical_name": "star_and_crescent", "aliases": ["islam"]}, "1f549": {"canonical_name": "om", "aliases": ["hinduism"]}, "2638": {"canonical_name": "wheel_of_dharma", "aliases": ["buddhism"]}, "2721": {"canonical_name": "star_of_david", "aliases": ["judaism"]}, # can't find any explanation of this at all. Is an alternate star of david? # '1f52f': {'canonical_name': 'X', 'aliases': ['six_pointed_star']}, "1f54e": {"canonical_name": "menorah", "aliases": []}, "262f": {"canonical_name": "yin_yang", "aliases": []}, "2626": {"canonical_name": "orthodox_cross", "aliases": []}, "1f6d0": {"canonical_name": "place_of_worship", "aliases": []}, "26ce": {"canonical_name": "ophiuchus", "aliases": []}, "2648": {"canonical_name": "aries", "aliases": []}, "2649": {"canonical_name": "taurus", "aliases": []}, "264a": {"canonical_name": "gemini", "aliases": []}, "264b": {"canonical_name": "cancer", "aliases": []}, "264c": {"canonical_name": "leo", "aliases": []}, "264d": {"canonical_name": "virgo", "aliases": []}, "264e": {"canonical_name": "libra", "aliases": []}, "264f": {"canonical_name": "scorpius", "aliases": []}, "2650": {"canonical_name": "sagittarius", "aliases": []}, "2651": {"canonical_name": "capricorn", "aliases": []}, "2652": {"canonical_name": "aquarius", "aliases": []}, "2653": {"canonical_name": "pisces", "aliases": []}, "1f194": {"canonical_name": "id", "aliases": []}, "269b": {"canonical_name": "atom", "aliases": ["physics"]}, "2622": {"canonical_name": "radioactive", "aliases": ["nuclear"]}, "2623": {"canonical_name": "biohazard", "aliases": []}, "1f4f4": {"canonical_name": "phone_off", "aliases": []}, "1f4f3": {"canonical_name": "vibration_mode", "aliases": []}, # Japanese symbol. `canonical_name` taken from emojipedia.org. "1f236": {"canonical_name": "japanese_not_free_of_charge_button", "aliases": ["u6709"]}, "1f250": {"canonical_name": "japanese_bargain_button", "aliases": ["ideograph_advantage"]}, "1f251": {"canonical_name": "japanese_acceptable_button", "aliases": ["accept"]}, "1f21a": {"canonical_name": "japanese_free_of_charge_button", "aliases": ["u7121"]}, "1f238": {"canonical_name": "japanese_application_button", "aliases": ["u7533"]}, "1f23a": {"canonical_name": "japanese_open_for_business_button", "aliases": ["u55b6"]}, "1f237": {"canonical_name": "japanese_monthly_amount_button", "aliases": ["u6708"]}, "3299": {"canonical_name": "japanese_secret_button", "aliases": ["secret"]}, "3297": {"canonical_name": "japanese_congratulations_button", "aliases": ["congratulations"]}, "1f234": {"canonical_name": "japanese_passing_grade_button", "aliases": ["u5408"]}, "1f235": {"canonical_name": "japanese_no_vacancy_button", "aliases": ["u6e80"]}, "1f239": {"canonical_name": "japanese_discount_button", "aliases": ["u5272"]}, "1f232": {"canonical_name": "japanese_prohibited_button", "aliases": ["u7981"]}, # End of Japanese symbol. "2734": {"canonical_name": "eight_pointed_star", "aliases": []}, "1f19a": {"canonical_name": "vs", "aliases": []}, "1f4ae": {"canonical_name": "white_flower", "aliases": []}, "1f170": {"canonical_name": "a", "aliases": []}, "1f171": {"canonical_name": "b", "aliases": []}, "1f18e": {"canonical_name": "ab", "aliases": []}, "1f191": {"canonical_name": "cl", "aliases": []}, "1f17e": {"canonical_name": "o", "aliases": []}, "1f198": {"canonical_name": "sos", "aliases": []}, # Symbols/105 seems like a better x, and looks more like the other letters "274c": {"canonical_name": "cross_mark", "aliases": ["incorrect", "wrong"]}, "2b55": {"canonical_name": "circle", "aliases": []}, "1f6d1": {"canonical_name": "stop_sign", "aliases": ["octagonal_sign"]}, "26d4": {"canonical_name": "no_entry", "aliases": ["wrong_way"]}, "1f4db": {"canonical_name": "name_badge", "aliases": []}, "1f6ab": {"canonical_name": "prohibited", "aliases": ["not_allowed"]}, "1f4af": {"canonical_name": "100", "aliases": ["hundred"]}, "1f4a2": {"canonical_name": "anger", "aliases": ["bam", "pow"]}, "2668": {"canonical_name": "hot_springs", "aliases": []}, "1f6b7": {"canonical_name": "no_pedestrians", "aliases": []}, "1f6af": {"canonical_name": "do_not_litter", "aliases": []}, "1f6b3": {"canonical_name": "no_bicycles", "aliases": []}, "1f6b1": {"canonical_name": "non-potable_water", "aliases": []}, "1f51e": {"canonical_name": "underage", "aliases": ["nc17"]}, "1f4f5": {"canonical_name": "no_phones", "aliases": []}, "1f6ad": {"canonical_name": "no_smoking", "aliases": []}, "2757": {"canonical_name": "exclamation", "aliases": []}, "2755": {"canonical_name": "grey_exclamation", "aliases": []}, "2753": {"canonical_name": "question", "aliases": []}, "2754": {"canonical_name": "grey_question", "aliases": []}, "203c": {"canonical_name": "bangbang", "aliases": ["double_exclamation"]}, "2049": {"canonical_name": "interrobang", "aliases": []}, "1f505": {"canonical_name": "low_brightness", "aliases": ["dim"]}, "1f506": {"canonical_name": "brightness", "aliases": ["high_brightness"]}, "303d": {"canonical_name": "part_alternation", "aliases": []}, "26a0": {"canonical_name": "warning", "aliases": ["caution", "danger"]}, "1f6b8": { "canonical_name": "children_crossing", "aliases": ["school_crossing", "drive_with_care"], }, "1f531": {"canonical_name": "trident", "aliases": []}, "269c": {"canonical_name": "fleur_de_lis", "aliases": []}, "1f530": {"canonical_name": "beginner", "aliases": []}, "267b": {"canonical_name": "recycle", "aliases": []}, # seems like the best check "2705": {"canonical_name": "check", "aliases": ["all_good", "approved"]}, # '1f22f': {'canonical_name': 'X', 'aliases': ['u6307']}, # stock_market seemed more useful "1f4b9": {"canonical_name": "stock_market", "aliases": []}, "2747": {"canonical_name": "sparkle", "aliases": []}, "2733": {"canonical_name": "eight_spoked_asterisk", "aliases": []}, "274e": {"canonical_name": "x", "aliases": []}, "1f310": {"canonical_name": "www", "aliases": ["globe"]}, "1f4a0": {"canonical_name": "cute", "aliases": ["kawaii", "diamond_with_a_dot"]}, "24c2": {"canonical_name": "metro", "aliases": ["m"]}, "1f300": {"canonical_name": "cyclone", "aliases": ["hurricane", "typhoon"]}, "1f4a4": {"canonical_name": "zzz", "aliases": []}, "1f3e7": {"canonical_name": "atm", "aliases": []}, "1f6be": {"canonical_name": "wc", "aliases": ["water_closet"]}, "267f": {"canonical_name": "accessible", "aliases": ["wheelchair", "disabled"]}, "1f17f": {"canonical_name": "parking", "aliases": ["p"]}, # '1f233': {'canonical_name': 'X', 'aliases': ['u7a7a']}, # '1f202': {'canonical_name': 'X', 'aliases': ['sa']}, "1f6c2": {"canonical_name": "passport_control", "aliases": ["immigration"]}, "1f6c3": {"canonical_name": "customs", "aliases": []}, "1f6c4": {"canonical_name": "baggage_claim", "aliases": []}, "1f6c5": {"canonical_name": "locker", "aliases": ["locked_bag"]}, "1f6b9": {"canonical_name": "mens", "aliases": []}, "1f6ba": {"canonical_name": "womens", "aliases": []}, # seems more in line with the surrounding bathroom symbols "1f6bc": {"canonical_name": "baby_change_station", "aliases": ["nursery"]}, "1f6bb": {"canonical_name": "restroom", "aliases": []}, "1f6ae": {"canonical_name": "put_litter_in_its_place", "aliases": []}, "1f3a6": {"canonical_name": "cinema", "aliases": ["movie_theater"]}, "1f4f6": {"canonical_name": "cell_reception", "aliases": ["signal_strength", "signal_bars"]}, # '1f201': {'canonical_name': 'X', 'aliases': ['koko']}, "1f523": {"canonical_name": "symbols", "aliases": []}, "2139": {"canonical_name": "info", "aliases": []}, "1f524": {"canonical_name": "abc", "aliases": []}, "1f521": {"canonical_name": "abcd", "aliases": ["alphabet"]}, "1f520": {"canonical_name": "capital_abcd", "aliases": ["capital_letters"]}, "1f196": {"canonical_name": "ng", "aliases": []}, # from Unicode/gemoji. Saving ok for People/111 "1f197": {"canonical_name": "squared_ok", "aliases": []}, # from Unicode, and to parallel Symbols/135. Saving up for Symbols/171 "1f199": {"canonical_name": "squared_up", "aliases": []}, "1f192": {"canonical_name": "cool", "aliases": []}, "1f195": {"canonical_name": "new", "aliases": []}, "1f193": {"canonical_name": "free", "aliases": []}, "0030-20e3": {"canonical_name": "zero", "aliases": []}, "0031-20e3": {"canonical_name": "one", "aliases": []}, "0032-20e3": {"canonical_name": "two", "aliases": []}, "0033-20e3": {"canonical_name": "three", "aliases": []}, "0034-20e3": {"canonical_name": "four", "aliases": []}, "0035-20e3": {"canonical_name": "five", "aliases": []}, "0036-20e3": {"canonical_name": "six", "aliases": []}, "0037-20e3": {"canonical_name": "seven", "aliases": []}, "0038-20e3": {"canonical_name": "eight", "aliases": []}, "0039-20e3": {"canonical_name": "nine", "aliases": []}, "1f51f": {"canonical_name": "ten", "aliases": []}, "1f522": {"canonical_name": "1234", "aliases": ["numbers"]}, "0023-20e3": {"canonical_name": "hash", "aliases": []}, "002a-20e3": {"canonical_name": "asterisk", "aliases": []}, "25b6": {"canonical_name": "play", "aliases": []}, "23f8": {"canonical_name": "pause", "aliases": []}, "23ef": {"canonical_name": "play_pause", "aliases": []}, # stop taken by People/118 "23f9": {"canonical_name": "stop_button", "aliases": []}, "23fa": {"canonical_name": "record", "aliases": []}, "23ed": {"canonical_name": "next_track", "aliases": ["skip_forward"]}, "23ee": {"canonical_name": "previous_track", "aliases": ["skip_back"]}, "23e9": {"canonical_name": "fast_forward", "aliases": []}, "23ea": {"canonical_name": "rewind", "aliases": ["fast_reverse"]}, "23eb": {"canonical_name": "double_up", "aliases": ["fast_up"]}, "23ec": {"canonical_name": "double_down", "aliases": ["fast_down"]}, "25c0": {"canonical_name": "play_reverse", "aliases": []}, "1f53c": {"canonical_name": "upvote", "aliases": ["up_button", "increase"]}, "1f53d": {"canonical_name": "downvote", "aliases": ["down_button", "decrease"]}, "27a1": {"canonical_name": "right", "aliases": ["east"]}, "2b05": {"canonical_name": "left", "aliases": ["west"]}, "2b06": {"canonical_name": "up", "aliases": ["north"]}, "2b07": {"canonical_name": "down", "aliases": ["south"]}, "2197": {"canonical_name": "upper_right", "aliases": ["north_east"]}, "2198": {"canonical_name": "lower_right", "aliases": ["south_east"]}, "2199": {"canonical_name": "lower_left", "aliases": ["south_west"]}, "2196": {"canonical_name": "upper_left", "aliases": ["north_west"]}, "2195": {"canonical_name": "up_down", "aliases": []}, "2194": {"canonical_name": "left_right", "aliases": ["swap"]}, "21aa": {"canonical_name": "forward", "aliases": ["right_hook"]}, "21a9": {"canonical_name": "reply", "aliases": ["left_hook"]}, "2934": {"canonical_name": "heading_up", "aliases": []}, "2935": {"canonical_name": "heading_down", "aliases": []}, "1f500": {"canonical_name": "shuffle", "aliases": []}, "1f501": {"canonical_name": "repeat", "aliases": []}, "1f502": {"canonical_name": "repeat_one", "aliases": []}, "1f504": {"canonical_name": "counterclockwise", "aliases": ["return"]}, "1f503": {"canonical_name": "clockwise", "aliases": []}, "1f3b5": {"canonical_name": "music", "aliases": []}, "1f3b6": {"canonical_name": "musical_notes", "aliases": []}, "2795": {"canonical_name": "plus", "aliases": ["add"]}, "2796": {"canonical_name": "minus", "aliases": ["subtract"]}, "2797": {"canonical_name": "division", "aliases": ["divide"]}, "2716": {"canonical_name": "multiplication", "aliases": ["multiply"]}, "1f4b2": {"canonical_name": "dollars", "aliases": []}, # There is no other exchange, so might as well generalize this "1f4b1": {"canonical_name": "exchange", "aliases": []}, "2122": {"canonical_name": "tm", "aliases": ["trademark"]}, "3030": {"canonical_name": "wavy_dash", "aliases": []}, "27b0": {"canonical_name": "loop", "aliases": []}, # https://emojipedia.org/double-curly-loop/ "27bf": {"canonical_name": "double_loop", "aliases": ["voicemail"]}, "1f51a": {"canonical_name": "end", "aliases": []}, "1f519": {"canonical_name": "back", "aliases": []}, "1f51b": {"canonical_name": "on", "aliases": []}, "1f51d": {"canonical_name": "top", "aliases": []}, "1f51c": {"canonical_name": "soon", "aliases": []}, "2714": {"canonical_name": "check_mark", "aliases": []}, "2611": {"canonical_name": "checkbox", "aliases": []}, "1f518": {"canonical_name": "radio_button", "aliases": []}, "26aa": {"canonical_name": "white_circle", "aliases": []}, "26ab": {"canonical_name": "black_circle", "aliases": []}, "1f534": {"canonical_name": "red_circle", "aliases": []}, "1f535": {"canonical_name": "blue_circle", "aliases": []}, "1f53a": {"canonical_name": "red_triangle_up", "aliases": []}, "1f53b": {"canonical_name": "red_triangle_down", "aliases": []}, "1f538": {"canonical_name": "small_orange_diamond", "aliases": []}, "1f539": {"canonical_name": "small_blue_diamond", "aliases": []}, "1f536": {"canonical_name": "large_orange_diamond", "aliases": []}, "1f537": {"canonical_name": "large_blue_diamond", "aliases": []}, "1f533": {"canonical_name": "black_and_white_square", "aliases": []}, "1f532": {"canonical_name": "white_and_black_square", "aliases": []}, "25aa": {"canonical_name": "black_small_square", "aliases": []}, "25ab": {"canonical_name": "white_small_square", "aliases": []}, "25fe": {"canonical_name": "black_medium_small_square", "aliases": []}, "25fd": {"canonical_name": "white_medium_small_square", "aliases": []}, "25fc": {"canonical_name": "black_medium_square", "aliases": []}, "25fb": {"canonical_name": "white_medium_square", "aliases": []}, "2b1b": {"canonical_name": "black_large_square", "aliases": []}, "2b1c": {"canonical_name": "white_large_square", "aliases": []}, "1f7e8": {"canonical_name": "yellow_large_square", "aliases": []}, "1f7e9": {"canonical_name": "green_large_square", "aliases": []}, "1f508": {"canonical_name": "speaker", "aliases": []}, "1f507": {"canonical_name": "mute", "aliases": ["no_sound"]}, "1f509": {"canonical_name": "softer", "aliases": []}, "1f50a": {"canonical_name": "louder", "aliases": ["sound"]}, "1f514": {"canonical_name": "notifications", "aliases": ["bell"]}, "1f515": {"canonical_name": "mute_notifications", "aliases": []}, "1f4e3": {"canonical_name": "megaphone", "aliases": ["shout"]}, "1f4e2": {"canonical_name": "loudspeaker", "aliases": ["bullhorn"]}, "1f4ac": {"canonical_name": "umm", "aliases": ["speech_balloon"]}, "1f5e8": {"canonical_name": "speech_bubble", "aliases": []}, "1f4ad": {"canonical_name": "thought", "aliases": ["dream"]}, "1f5ef": {"canonical_name": "anger_bubble", "aliases": []}, "2660": {"canonical_name": "spades", "aliases": []}, "2663": {"canonical_name": "clubs", "aliases": []}, "2665": {"canonical_name": "hearts", "aliases": []}, "2666": {"canonical_name": "diamonds", "aliases": []}, "1f0cf": {"canonical_name": "joker", "aliases": []}, "1f3b4": {"canonical_name": "playing_cards", "aliases": []}, "1f004": {"canonical_name": "mahjong", "aliases": []}, # The only use I can think of for so many clocks is to be able to use them # to vote on times and such in emoji reactions. But a) the experience is # not that great (the images are too small), b) there are issues with # 24-hour time (used in many countries), like what is 00:30 or 01:00 # called, c) it's hard to make the compose typeahead experience great, and # d) we should have a dedicated time voting widget that takes care of # time zone and locale issues, and uses a digital representation. # '1f550': {'canonical_name': 'X', 'aliases': ['clock1']}, # '1f551': {'canonical_name': 'X', 'aliases': ['clock2']}, # '1f552': {'canonical_name': 'X', 'aliases': ['clock3']}, # '1f553': {'canonical_name': 'X', 'aliases': ['clock4']}, # '1f554': {'canonical_name': 'X', 'aliases': ['clock5']}, # '1f555': {'canonical_name': 'X', 'aliases': ['clock6']}, # '1f556': {'canonical_name': 'X', 'aliases': ['clock7']}, # seems like the best choice for time "1f557": {"canonical_name": "time", "aliases": ["clock"]}, # '1f558': {'canonical_name': 'X', 'aliases': ['clock9']}, # '1f559': {'canonical_name': 'X', 'aliases': ['clock10']}, # '1f55a': {'canonical_name': 'X', 'aliases': ['clock11']}, # '1f55b': {'canonical_name': 'X', 'aliases': ['clock12']}, # '1f55c': {'canonical_name': 'X', 'aliases': ['clock130']}, # '1f55d': {'canonical_name': 'X', 'aliases': ['clock230']}, # '1f55e': {'canonical_name': 'X', 'aliases': ['clock330']}, # '1f55f': {'canonical_name': 'X', 'aliases': ['clock430']}, # '1f560': {'canonical_name': 'X', 'aliases': ['clock530']}, # '1f561': {'canonical_name': 'X', 'aliases': ['clock630']}, # '1f562': {'canonical_name': 'X', 'aliases': ['clock730']}, # '1f563': {'canonical_name': 'X', 'aliases': ['clock830']}, # '1f564': {'canonical_name': 'X', 'aliases': ['clock930']}, # '1f565': {'canonical_name': 'X', 'aliases': ['clock1030']}, # '1f566': {'canonical_name': 'X', 'aliases': ['clock1130']}, # '1f567': {'canonical_name': 'X', 'aliases': ['clock1230']}, "1f3f3": {"canonical_name": "white_flag", "aliases": ["surrender"]}, "1f3f4": {"canonical_name": "black_flag", "aliases": []}, "1f3c1": {"canonical_name": "checkered_flag", "aliases": ["race", "go", "start"]}, "1f6a9": {"canonical_name": "triangular_flag", "aliases": []}, # solidarity from iemoji "1f38c": {"canonical_name": "crossed_flags", "aliases": ["solidarity"]}, }
zulip/zulip
tools/setup/emoji/emoji_names.py
Python
apache-2.0
96,073
[ "CRYSTAL", "Octopus" ]
46564e87ebd8ef7bdc4a105e57fe3c854dd1d7c80bdf89dd53254767405254ea
# coding=utf-8 # Copyright 2022 The Google Research Authors. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # Lint: python3 """Tests for jax_dft.scf.""" import functools import os import shutil import tempfile from absl.testing import absltest from absl.testing import parameterized import jax from jax import random from jax import tree_util from jax.config import config from jax.experimental import stax import jax.numpy as jnp import numpy as np from scipy import optimize from jax_dft import neural_xc from jax_dft import np_utils from jax_dft import scf from jax_dft import utils # Set the default dtype as float64 config.update('jax_enable_x64', True) class ScfTest(parameterized.TestCase): def test_discrete_laplacian(self): np.testing.assert_allclose( scf.discrete_laplacian(6), [ [-5. / 2, 4. / 3, -1. / 12, 0., 0., 0.], [4. / 3, -5. / 2, 4. / 3, -1. / 12, 0., 0.], [-1. / 12, 4. / 3, -5. / 2, 4. / 3, -1. / 12, 0.], [0., -1. / 12, 4. / 3, -5. / 2, 4. / 3, -1. / 12], [0., 0., -1. / 12, 4. / 3, -5. / 2, 4. / 3], [0., 0., 0., -1. / 12, 4. / 3, -5. / 2], ], atol=1e-6) def test_get_kinetic_matrix(self): np.testing.assert_allclose( scf.get_kinetic_matrix(grids=jnp.linspace(-10, 10, 6)), [ [0.078125, -0.04166667, 0.00260417, 0., 0., 0.], [-0.04166667, 0.078125, -0.04166667, 0.00260417, 0., 0.], [0.00260417, -0.04166667, 0.078125, -0.04166667, 0.00260417, 0.], [0., 0.00260417, -0.04166667, 0.078125, -0.04166667, 0.00260417], [0., 0., 0.00260417, -0.04166667, 0.078125, -0.04166667], [0., 0., 0., 0.00260417, -0.04166667, 0.078125], ], atol=1e-6) @parameterized.parameters( # The normalized wavefunctions are # [[0., 0., 1. / sqrt(0.1), 0., 0.], # [0., -1. / sqrt(0.2), 0., 1. / sqrt(0.2), 0.]] # Intensities # [[0., 0., 10., 0., 0.], # [0., 5., 0., 5., 0.]] (1, np.array([0., 0., 10., 0., 0.])), (2, np.array([0., 0., 20., 0., 0.])), (3, np.array([0., 5., 20., 5., 0.])), (4, np.array([0., 10., 20., 10., 0.])), ) def test_wavefunctions_to_density(self, num_electrons, expected_density): np.testing.assert_allclose( scf.wavefunctions_to_density( num_electrons=num_electrons, wavefunctions=jnp.array([ [0., 0., 1., 0., 0.], [0., -1., 0., 1., 0.], ]), grids=jnp.arange(5) * 0.1), expected_density) @parameterized.parameters( (1, -1.), # total_eigen_energies = -1. (2, -2.), # total_eigen_energies = -1. - 1. (3, 0.), # total_eigen_energies = -1. - 1. + 2. (4, 2.), # total_eigen_energies = -1. - 1. + 2. + 2. (5, 7.), # total_eigen_energies = -1. - 1. + 2. + 2. + 5. (6, 12.), # total_eigen_energies = -1. - 1. + 2. + 2. + 5. + 5. ) def test_get_total_eigen_energies( self, num_electrons, expected_total_eigen_energies): self.assertAlmostEqual( scf.get_total_eigen_energies( num_electrons=num_electrons, eigen_energies=jnp.array([-1., 2., 5.])), expected_total_eigen_energies) @parameterized.parameters( (1, 0.), # gap = -1. - (-1.) (2, 3.), # gap = 2. - (-1.) (3, 0.), # gap = 2. - 2. (4, 7.), # gap = 9. - 2. (5, 0.), # gap = 9. - 9. (6, 78.), # gap = 87. - 9. ) def test_get_gap(self, num_electrons, expected_gap): self.assertAlmostEqual( scf.get_gap( num_electrons=num_electrons, eigen_energies=jnp.array([-1., 2., 9., 87.])), expected_gap) @parameterized.parameters( (1, 0.5, 0.), # total_eigen_energies = 0.5 (2, 1., 1.), # total_eigen_energies = 0.5 + 0.5 (3, 2.5, 0.), # total_eigen_energies = 0.5 + 0.5 + 1.5 (4, 4., 1.), # total_eigen_energies = 0.5 + 0.5 + 1.5 + 1.5 ) def test_solve_noninteracting_system( self, num_electrons, expected_total_eigen_energies, expected_gap): # Quantum harmonic oscillator. grids = jnp.linspace(-10, 10, 1001) density, total_eigen_energies, gap = scf.solve_noninteracting_system( external_potential=0.5 * grids ** 2, num_electrons=num_electrons, grids=grids) self.assertTupleEqual(density.shape, (1001,)) self.assertAlmostEqual( float(total_eigen_energies), expected_total_eigen_energies, places=7) self.assertAlmostEqual(float(gap), expected_gap, places=7) @parameterized.parameters(utils.soft_coulomb, utils.exponential_coulomb) def test_get_hartree_energy(self, interaction_fn): grids = jnp.linspace(-5, 5, 11) dx = utils.get_dx(grids) density = utils.gaussian(grids=grids, center=1., sigma=1.) # Compute the expected Hartree energy by nested for loops. expected_hartree_energy = 0. for x_0, n_0 in zip(grids, density): for x_1, n_1 in zip(grids, density): expected_hartree_energy += 0.5 * n_0 * n_1 * interaction_fn( x_0 - x_1) * dx ** 2 self.assertAlmostEqual( float(scf.get_hartree_energy( density=density, grids=grids, interaction_fn=interaction_fn)), float(expected_hartree_energy)) @parameterized.parameters(utils.soft_coulomb, utils.exponential_coulomb) def test_get_hartree_potential(self, interaction_fn): grids = jnp.linspace(-5, 5, 11) dx = utils.get_dx(grids) density = utils.gaussian(grids=grids, center=1., sigma=1.) # Compute the expected Hartree energy by nested for loops. expected_hartree_potential = np.zeros_like(grids) for i, x_0 in enumerate(grids): for x_1, n_1 in zip(grids, density): expected_hartree_potential[i] += np.sum( n_1 * interaction_fn(x_0 - x_1)) * dx np.testing.assert_allclose( scf.get_hartree_potential( density=density, grids=grids, interaction_fn=interaction_fn), expected_hartree_potential) def test_get_external_potential_energy(self): grids = jnp.linspace(-5, 5, 10001) self.assertAlmostEqual( float(scf.get_external_potential_energy( external_potential=-jnp.exp(-grids ** 2), density=jnp.exp(-(grids - 1) ** 2), grids=grids)), # Analytical solution: # integrate(-exp(-x^2) * exp(-(x - 1) ^ 2), {x, -inf, inf}) # = -sqrt(pi / (2 * e)) -np.sqrt(np.pi / (2 * np.e))) def test_get_xc_energy(self): grids = jnp.linspace(-5, 5, 10001) # We use the form of 3d LDA exchange functional as an example. So the # correlation contribution is 0. # exchange energy = -0.73855 \int n^(4 / 3) dx # exchange energy density = -0.73855 n^(1 / 3) # Compute the exchange energy on density exp(-(x - 1) ^ 2: # -0.73855 * integrate(exp(-(x - 1) ^ 2) ^ (4 / 3), {x, -inf, inf}) # = -1.13367 xc_energy_density_fn = lambda density: -0.73855 * density ** (1 / 3) density = jnp.exp(-(grids - 1) ** 2) self.assertAlmostEqual( float(scf.get_xc_energy( density=density, xc_energy_density_fn=xc_energy_density_fn, grids=grids)), -1.13367, places=5) def test_get_xc_potential(self): grids = jnp.linspace(-5, 5, 10001) # We use the form of 3d LDA exchange functional as an example. So the # correlation contribution is 0. # exchange energy = -0.73855 \int n^(4 / 3) dx # exchange potential should be -0.73855 * (4 / 3) n^(1 / 3) # by taking functional derivative on exchange energy. xc_energy_density_fn = lambda density: -0.73855 * density ** (1 / 3) density = jnp.exp(-(grids - 1) ** 2) np.testing.assert_allclose( scf.get_xc_potential( density, xc_energy_density_fn=xc_energy_density_fn, grids=grids), -0.73855 * (4 / 3) * density ** (1 / 3)) def test_get_xc_potential_hartree(self): grids = jnp.linspace(-5, 5, 10001) density = utils.gaussian(grids=grids, center=1., sigma=1.) def half_hartree_potential(density): return 0.5 * scf.get_hartree_potential( density=density, grids=grids, interaction_fn=utils.exponential_coulomb) np.testing.assert_allclose( scf.get_xc_potential( density=density, xc_energy_density_fn=half_hartree_potential, grids=grids), scf.get_hartree_potential( density, grids=grids, interaction_fn=utils.exponential_coulomb)) class KohnShamStateTest(absltest.TestCase): def setUp(self): super().setUp() self.test_dir = tempfile.mkdtemp() def tearDown(self): shutil.rmtree(self.test_dir) super().tearDown() def test_save_and_load_state(self): # Make up a random KohnShamState. state = scf.KohnShamState( density=np.random.random((5, 100)), total_energy=np.random.random(5,), locations=np.random.random((5, 2)), nuclear_charges=np.random.random((5, 2)), external_potential=np.random.random((5, 100)), grids=np.random.random((5, 100)), num_electrons=np.random.randint(10, size=5), hartree_potential=np.random.random((5, 100))) save_dir = os.path.join(self.test_dir, 'test_state') scf.save_state(save_dir, state) loaded_state = scf.load_state(save_dir) # Check fields. self.assertEqual(state._fields, loaded_state._fields) # Check values. for field in state._fields: value = getattr(state, field) if value is None: self.assertIsNone(getattr(loaded_state, field)) else: np.testing.assert_allclose(value, getattr(loaded_state, field)) class KohnShamIterationTest(parameterized.TestCase): def setUp(self): super(KohnShamIterationTest, self).setUp() self.grids = jnp.linspace(-5, 5, 101) self.num_electrons = 2 def _create_testing_initial_state(self, interaction_fn): locations = jnp.array([-0.5, 0.5]) nuclear_charges = jnp.array([1, 1]) return scf.KohnShamState( density=self.num_electrons * utils.gaussian( grids=self.grids, center=0., sigma=1.), # Set initial energy as inf, the actual value is not used in Kohn-Sham # calculation. total_energy=jnp.inf, locations=locations, nuclear_charges=nuclear_charges, external_potential=utils.get_atomic_chain_potential( grids=self.grids, locations=locations, nuclear_charges=nuclear_charges, interaction_fn=interaction_fn), grids=self.grids, num_electrons=self.num_electrons) def _test_state(self, state, initial_state): # The density in the next state should normalize to number of electrons. self.assertAlmostEqual( float(jnp.sum(state.density) * utils.get_dx(self.grids)), self.num_electrons) # The total energy should be finite after one iteration. self.assertTrue(jnp.isfinite(state.total_energy)) self.assertLen(state.hartree_potential, len(state.grids)) self.assertLen(state.xc_potential, len(state.grids)) # locations, nuclear_charges, external_potential, grids and num_electrons # remain unchanged. np.testing.assert_allclose(initial_state.locations, state.locations) np.testing.assert_allclose( initial_state.nuclear_charges, state.nuclear_charges) np.testing.assert_allclose( initial_state.external_potential, state.external_potential) np.testing.assert_allclose(initial_state.grids, state.grids) self.assertEqual(initial_state.num_electrons, state.num_electrons) self.assertGreater(state.gap, 0) @parameterized.parameters( (utils.soft_coulomb, True), (utils.soft_coulomb, False), (utils.exponential_coulomb, True), (utils.exponential_coulomb, False), ) def test_kohn_sham_iteration( self, interaction_fn, enforce_reflection_symmetry): initial_state = self._create_testing_initial_state(interaction_fn) next_state = scf.kohn_sham_iteration( state=initial_state, num_electrons=self.num_electrons, # Use 3d LDA exchange functional and zero correlation functional. xc_energy_density_fn=tree_util.Partial( lambda density: -0.73855 * density ** (1 / 3)), interaction_fn=interaction_fn, enforce_reflection_symmetry=enforce_reflection_symmetry) self._test_state(next_state, initial_state) @parameterized.parameters( (utils.soft_coulomb, True), (utils.soft_coulomb, False), (utils.exponential_coulomb, True), (utils.exponential_coulomb, False), ) def test_kohn_sham_iteration_neural_xc( self, interaction_fn, enforce_reflection_symmetry): init_fn, xc_energy_density_fn = neural_xc.local_density_approximation( stax.serial(stax.Dense(8), stax.Elu, stax.Dense(1))) params_init = init_fn(rng=random.PRNGKey(0)) initial_state = self._create_testing_initial_state(interaction_fn) next_state = scf.kohn_sham_iteration( state=initial_state, num_electrons=self.num_electrons, xc_energy_density_fn=tree_util.Partial( xc_energy_density_fn, params=params_init), interaction_fn=interaction_fn, enforce_reflection_symmetry=enforce_reflection_symmetry) self._test_state(next_state, initial_state) def test_kohn_sham_iteration_neural_xc_energy_loss_gradient(self): # The network only has one layer. # The initial params contains weights with shape (1, 1) and bias (1,). init_fn, xc_energy_density_fn = neural_xc.local_density_approximation( stax.serial(stax.Dense(1))) init_params = init_fn(rng=random.PRNGKey(0)) initial_state = self._create_testing_initial_state( utils.exponential_coulomb) target_energy = 2. spec, flatten_init_params = np_utils.flatten(init_params) def loss(flatten_params, initial_state, target_energy): state = scf.kohn_sham_iteration( state=initial_state, num_electrons=self.num_electrons, xc_energy_density_fn=tree_util.Partial( xc_energy_density_fn, params=np_utils.unflatten(spec, flatten_params)), interaction_fn=utils.exponential_coulomb, enforce_reflection_symmetry=True) return (state.total_energy - target_energy) ** 2 grad_fn = jax.grad(loss) params_grad = grad_fn( flatten_init_params, initial_state=initial_state, target_energy=target_energy) # Check gradient values. np.testing.assert_allclose(params_grad, [-8.549952, -14.754195]) # Check whether the gradient values match the numerical gradient. np.testing.assert_allclose( optimize.approx_fprime( xk=flatten_init_params, f=functools.partial( loss, initial_state=initial_state, target_energy=target_energy), epsilon=1e-9), params_grad, atol=2e-3) def test_kohn_sham_iteration_neural_xc_density_loss_gradient(self): # The network only has one layer. # The initial params contains weights with shape (1, 1) and bias (1,). init_fn, xc_energy_density_fn = neural_xc.local_density_approximation( stax.serial(stax.Dense(1))) init_params = init_fn(rng=random.PRNGKey(0)) initial_state = self._create_testing_initial_state( utils.exponential_coulomb) target_density = ( utils.gaussian(grids=self.grids, center=-0.5, sigma=1.) + utils.gaussian(grids=self.grids, center=0.5, sigma=1.)) spec, flatten_init_params = np_utils.flatten(init_params) def loss(flatten_params, initial_state, target_density): state = scf.kohn_sham_iteration( state=initial_state, num_electrons=self.num_electrons, xc_energy_density_fn=tree_util.Partial( xc_energy_density_fn, params=np_utils.unflatten(spec, flatten_params)), interaction_fn=utils.exponential_coulomb, enforce_reflection_symmetry=False) return jnp.sum(jnp.abs(state.density - target_density)) * utils.get_dx( self.grids) grad_fn = jax.grad(loss) params_grad = grad_fn( flatten_init_params, initial_state=initial_state, target_density=target_density) # Check gradient values. np.testing.assert_allclose(params_grad, [-1.34137017, 0.], atol=5e-7) # Check whether the gradient values match the numerical gradient. np.testing.assert_allclose( optimize.approx_fprime( xk=flatten_init_params, f=functools.partial( loss, initial_state=initial_state, target_density=target_density), epsilon=1e-9), params_grad, atol=2e-4) def test_kohn_sham_iteration_neural_xc_density_loss_gradient_symmetry(self): # The network only has one layer. # The initial params contains weights with shape (1, 1) and bias (1,). init_fn, xc_energy_density_fn = neural_xc.local_density_approximation( stax.serial(stax.Dense(1))) init_params = init_fn(rng=random.PRNGKey(0)) initial_state = self._create_testing_initial_state( utils.exponential_coulomb) target_density = ( utils.gaussian(grids=self.grids, center=-0.5, sigma=1.) + utils.gaussian(grids=self.grids, center=0.5, sigma=1.)) spec, flatten_init_params = np_utils.flatten(init_params) def loss(flatten_params, initial_state, target_density): state = scf.kohn_sham_iteration( state=initial_state, num_electrons=self.num_electrons, xc_energy_density_fn=tree_util.Partial( xc_energy_density_fn, params=np_utils.unflatten(spec, flatten_params)), interaction_fn=utils.exponential_coulomb, enforce_reflection_symmetry=True) return jnp.sum(jnp.abs(state.density - target_density)) * utils.get_dx( self.grids) grad_fn = jax.grad(loss) params_grad = grad_fn( flatten_init_params, initial_state=initial_state, target_density=target_density) # Check gradient values. np.testing.assert_allclose(params_grad, [-1.34137017, 0.], atol=5e-7) # Check whether the gradient values match the numerical gradient. np.testing.assert_allclose( optimize.approx_fprime( xk=flatten_init_params, f=functools.partial( loss, initial_state=initial_state, target_density=target_density), epsilon=1e-9), params_grad, atol=1e-3) class KohnShamTest(parameterized.TestCase): def setUp(self): super(KohnShamTest, self).setUp() self.grids = jnp.linspace(-5, 5, 101) self.num_electrons = 2 self.locations = jnp.array([-0.5, 0.5]) self.nuclear_charges = jnp.array([1, 1]) def _create_testing_external_potential(self, interaction_fn): return utils.get_atomic_chain_potential( grids=self.grids, locations=self.locations, nuclear_charges=self.nuclear_charges, interaction_fn=interaction_fn) def _test_state(self, state, external_potential): # The density in the final state should normalize to number of electrons. self.assertAlmostEqual( float(jnp.sum(state.density) * utils.get_dx(self.grids)), self.num_electrons) # The total energy should be finite after iterations. self.assertTrue(jnp.isfinite(state.total_energy)) self.assertLen(state.hartree_potential, len(state.grids)) self.assertLen(state.xc_potential, len(state.grids)) # locations, nuclear_charges, external_potential, grids and num_electrons # remain unchanged. np.testing.assert_allclose(state.locations, self.locations) np.testing.assert_allclose(state.nuclear_charges, self.nuclear_charges) np.testing.assert_allclose( external_potential, state.external_potential) np.testing.assert_allclose(state.grids, self.grids) self.assertEqual(state.num_electrons, self.num_electrons) self.assertGreater(state.gap, 0) @parameterized.parameters(utils.soft_coulomb, utils.exponential_coulomb) def test_kohn_sham(self, interaction_fn): state = scf.kohn_sham( locations=self.locations, nuclear_charges=self.nuclear_charges, num_electrons=self.num_electrons, num_iterations=3, grids=self.grids, # Use 3d LDA exchange functional and zero correlation functional. xc_energy_density_fn=tree_util.Partial( lambda density: -0.73855 * density ** (1 / 3)), interaction_fn=interaction_fn) for single_state in scf.state_iterator(state): self._test_state( single_state, self._create_testing_external_potential(interaction_fn)) @parameterized.parameters( (-1., [False, False, False]), (jnp.inf, [True, True, True]), ) def test_kohn_sham_convergence( self, density_mse_converge_tolerance, expected_converged): state = scf.kohn_sham( locations=self.locations, nuclear_charges=self.nuclear_charges, num_electrons=self.num_electrons, num_iterations=3, grids=self.grids, # Use 3d LDA exchange functional and zero correlation functional. xc_energy_density_fn=tree_util.Partial( lambda density: -0.73855 * density ** (1 / 3)), interaction_fn=utils.exponential_coulomb, density_mse_converge_tolerance=density_mse_converge_tolerance) np.testing.assert_allclose(state.converged, expected_converged) @parameterized.parameters(utils.soft_coulomb, utils.exponential_coulomb) def test_kohn_sham_neural_xc(self, interaction_fn): init_fn, xc_energy_density_fn = neural_xc.local_density_approximation( stax.serial(stax.Dense(8), stax.Elu, stax.Dense(1))) params_init = init_fn(rng=random.PRNGKey(0)) state = scf.kohn_sham( locations=self.locations, nuclear_charges=self.nuclear_charges, num_electrons=self.num_electrons, num_iterations=3, grids=self.grids, xc_energy_density_fn=tree_util.Partial( xc_energy_density_fn, params=params_init), interaction_fn=interaction_fn) for single_state in scf.state_iterator(state): self._test_state( single_state, self._create_testing_external_potential(interaction_fn)) def test_kohn_sham_neural_xc_energy_loss_gradient(self): # The network only has one layer. # The initial params contains weights with shape (1, 1) and bias (1,). init_fn, xc_energy_density_fn = neural_xc.local_density_approximation( stax.serial(stax.Dense(1))) init_params = init_fn(rng=random.PRNGKey(0)) target_energy = 2. spec, flatten_init_params = np_utils.flatten(init_params) def loss(flatten_params, target_energy): state = scf.kohn_sham( locations=self.locations, nuclear_charges=self.nuclear_charges, num_electrons=self.num_electrons, num_iterations=3, grids=self.grids, xc_energy_density_fn=tree_util.Partial( xc_energy_density_fn, params=np_utils.unflatten(spec, flatten_params)), interaction_fn=utils.exponential_coulomb) final_state = scf.get_final_state(state) return (final_state.total_energy - target_energy) ** 2 grad_fn = jax.grad(loss) params_grad = grad_fn(flatten_init_params, target_energy=target_energy) # Check gradient values. np.testing.assert_allclose(params_grad, [-8.571627, -14.754749], atol=1e-6) # Check whether the gradient values match the numerical gradient. np.testing.assert_allclose( optimize.approx_fprime( xk=flatten_init_params, f=functools.partial(loss, target_energy=target_energy), epsilon=1e-8), params_grad, atol=5e-3) def test_kohn_sham_neural_xc_density_loss_gradient(self): # The network only has one layer. # The initial params contains weights with shape (1, 1) and bias (1,). init_fn, xc_energy_density_fn = neural_xc.local_density_approximation( stax.serial(stax.Dense(1))) init_params = init_fn(rng=random.PRNGKey(0)) target_density = ( utils.gaussian(grids=self.grids, center=-0.5, sigma=1.) + utils.gaussian(grids=self.grids, center=0.5, sigma=1.)) spec, flatten_init_params = np_utils.flatten(init_params) def loss(flatten_params, target_density): state = scf.kohn_sham( locations=self.locations, nuclear_charges=self.nuclear_charges, num_electrons=self.num_electrons, num_iterations=3, grids=self.grids, xc_energy_density_fn=tree_util.Partial( xc_energy_density_fn, params=np_utils.unflatten(spec, flatten_params)), interaction_fn=utils.exponential_coulomb, density_mse_converge_tolerance=-1) final_state = scf.get_final_state(state) return jnp.sum( jnp.abs(final_state.density - target_density)) * utils.get_dx( self.grids) grad_fn = jax.grad(loss) params_grad = grad_fn(flatten_init_params, target_density=target_density) # Check gradient values. np.testing.assert_allclose(params_grad, [-1.596714, 0.], atol=2e-6) # Check whether the gradient values match the numerical gradient. np.testing.assert_allclose( optimize.approx_fprime( xk=flatten_init_params, f=functools.partial(loss, target_density=target_density), epsilon=1e-9), params_grad, atol=3e-4) class GetInitialDensityTest(absltest.TestCase): def setUp(self): super().setUp() self.states = scf.KohnShamState( density=np.random.random((5, 100)), total_energy=np.random.random(5,), locations=np.random.random((5, 2)), nuclear_charges=np.random.random((5, 2)), external_potential=np.random.random((5, 100)), grids=np.random.random((5, 100)), num_electrons=np.random.randint(10, size=5)) def test_get_initial_density_exact(self): np.testing.assert_allclose( scf.get_initial_density(self.states, 'exact'), self.states.density) def test_get_initial_density_noninteracting(self): initial_density = scf.get_initial_density(self.states, 'noninteracting') self.assertEqual(initial_density.shape, (5, 100)) def test_get_initial_density_unknown(self): with self.assertRaisesRegex( ValueError, 'Unknown initialization method foo'): scf.get_initial_density(self.states, 'foo') if __name__ == '__main__': absltest.main()
google-research/google-research
jax_dft/jax_dft/scf_test.py
Python
apache-2.0
27,277
[ "Gaussian" ]
006ccde8567bef4e96bcb92c55e3f95466982d613e490d91434e0fa25548579a
"""Create genome index for BWA aligner.""" import shutil from pathlib import Path from plumbum import TEE from resolwe.process import Cmd, DataField, DirField, FileField, Process, StringField class BWAIndex(Process): """Create BWA genome index.""" slug = "bwa-index" process_type = "data:index:bwa" name = "BWA genome index" requirements = { "expression-engine": "jinja", "executor": { "docker": {"image": "public.ecr.aws/genialis/resolwebio/rnaseq:6.0.0"}, }, "resources": { "cores": 1, "memory": 16384, }, } category = "Genome index" data_name = '{{ ref_seq.fasta.file|basename|default("?") }}' version = "1.2.0" class Input: """Input fields for BWAIndex.""" ref_seq = DataField( "seq:nucleotide", label="Reference sequence (nucleotide FASTA)" ) class Output: """Output fields to process BWAIndex.""" index = DirField(label="BWA index") fastagz = FileField(label="FASTA file (compressed)") fasta = FileField(label="FASTA file") fai = FileField(label="FASTA file index") species = StringField(label="Species") build = StringField(label="Build") def run(self, inputs, outputs): """Run analysis.""" basename = Path(inputs.ref_seq.output.fasta.path).name assert basename.endswith(".fasta") name = basename[:-6] index_dir = Path("BWA_index") index_dir.mkdir() shutil.copy(Path(inputs.ref_seq.output.fasta.path), Path.cwd()) shutil.copy(Path(inputs.ref_seq.output.fastagz.path), Path.cwd()) shutil.copy(Path(inputs.ref_seq.output.fai.path), Path.cwd()) args = [ "-p", index_dir / f"{name}.fasta", inputs.ref_seq.output.fasta.path, ] return_code, _, _ = Cmd["bwa"]["index"][args] & TEE(retcode=None) if return_code: self.error("Error occurred while preparing the BWA index.") outputs.index = index_dir.name outputs.fasta = f"{name}.fasta" outputs.fastagz = f"{name}.fasta.gz" outputs.fai = f"{name}.fasta.fai" outputs.species = inputs.ref_seq.output.species outputs.build = inputs.ref_seq.output.build
genialis/resolwe-bio
resolwe_bio/processes/alignment/bwa_index.py
Python
apache-2.0
2,328
[ "BWA" ]
63df2961dde98952d866b2625896f6485e68aea3a48599d12ae38434307a2972
"""Check options for all agents.""" import logging import pytest from DIRAC.tests.Utilities.assertingUtils import AgentOptionsTest from DIRAC import S_OK AGENTS = [('DIRAC.AccountingSystem.Agent.NetworkAgent', {'IgnoreOptions': ['MaxCycles', 'MessageQueueURI', 'BufferTimeout']}), ('DIRAC.ConfigurationSystem.Agent.Bdii2CSAgent', {'IgnoreOptions': ['BannedCEs', 'BannedSEs', 'DryRun', 'AlternativeBDIIs', 'VO']}), ('DIRAC.ConfigurationSystem.Agent.GOCDB2CSAgent', {'IgnoreOptions': ['Cycles', 'DryRun']}), ('DIRAC.ConfigurationSystem.Agent.VOMS2CSAgent', {'IgnoreOptions': ['VO']}), ('DIRAC.DataManagementSystem.Agent.CleanFTSDBAgent', {'IgnoreOptions': ['DeleteGraceDays']}), ('DIRAC.DataManagementSystem.Agent.FTS3Agent', {}), ('DIRAC.DataManagementSystem.Agent.FTSAgent', {'IgnoreOptions': ['StageFiles', 'UseProxies', 'shifterProxy', 'FTSPlacementValidityPeriod', 'SubmitCommand', 'MonitorCommand', 'PinTime', 'MaxActiveJobsPerRoute', 'MaxRequests', 'MonitoringInterval', 'ProcessJobRequests']}), ('DIRAC.FrameworkSystem.Agent.CAUpdateAgent', {}), ('DIRAC.FrameworkSystem.Agent.MyProxyRenewalAgent', {'IgnoreOptions': ['MinValidity', 'ValidityPeriod', 'MinimumLifeTime', 'RenewedLifeTime']}), ('DIRAC.FrameworkSystem.Agent.ErrorMessageMonitor', {}), ('DIRAC.FrameworkSystem.Agent.SystemLoggingDBCleaner', {'IgnoreOptions': ['RemoveDate']}), ('DIRAC.FrameworkSystem.Agent.TopErrorMessagesReporter', {}), ('DIRAC.RequestManagementSystem.Agent.CleanReqDBAgent', {'IgnoreOptions': ['KickLimit', 'KickGraceHours', 'DeleteGraceDays']}), ('DIRAC.RequestManagementSystem.Agent.RequestExecutingAgent', {'IgnoreOptions': ['MaxProcess', 'ProcessTaskTimeout', 'RequestsPerCycle', 'OperationHandlers', 'MinProcess', 'MaxAttempts', 'ProcessPoolQueueSize', 'ProcessPoolSleep', 'FTSMode', 'OperationHandlers'], 'SpecialMocks': {'gConfig': S_OK([])}}), ('DIRAC.ResourceStatusSystem.Agent.CacheFeederAgent', {}), ('DIRAC.ResourceStatusSystem.Agent.ElementInspectorAgent', {}), ('DIRAC.ResourceStatusSystem.Agent.EmailAgent', {}), ('DIRAC.ResourceStatusSystem.Agent.SiteInspectorAgent', {}), ('DIRAC.ResourceStatusSystem.Agent.SummarizeLogsAgent', {}), ('DIRAC.ResourceStatusSystem.Agent.TokenAgent', {}), ('DIRAC.StorageManagementSystem.Agent.RequestFinalizationAgent', {}), ('DIRAC.StorageManagementSystem.Agent.RequestPreparationAgent', {}), ('DIRAC.StorageManagementSystem.Agent.StageMonitorAgent', {}), ('DIRAC.StorageManagementSystem.Agent.StageRequestAgent', {'IgnoreOptions': ['PinLifetime']}), ('DIRAC.TransformationSystem.Agent.DataRecoveryAgent', {}), ('DIRAC.TransformationSystem.Agent.InputDataAgent', {'IgnoreOptions': ['DateKey', 'TransformationTypes']}), ('DIRAC.TransformationSystem.Agent.MCExtensionAgent', {'IgnoreOptions': ['TransformationTypes', 'TasksPerIteration', 'MaxFailureRate', 'MaxWaitingJobs']}), ('DIRAC.TransformationSystem.Agent.TaskManagerAgentBase', {'IgnoreOptions': ['PluginLocation', 'BulkSubmission', 'shifterProxy', 'ShifterCredentials', 'maxNumberOfThreads']}), ('DIRAC.TransformationSystem.Agent.TransformationAgent', {'IgnoreOptions': ['PluginLocation', 'transformationStatus', 'MaxFiles', 'MaxFilesToProcess', 'TransformationTypes', 'ReplicaCacheValidity', 'NoUnusedDelay', 'maxThreadsInPool']}), ('DIRAC.TransformationSystem.Agent.TransformationCleaningAgent', {'IgnoreOptions': ['EnableFlag', 'shifterProxy']}), ('DIRAC.TransformationSystem.Agent.ValidateOutputDataAgent', {'IgnoreOptions': ['TransformationTypes', 'DirectoryLocations', 'TransfIDMeta']}), # ('DIRAC.TransformationSystem.Agent.RequestTaskAgent', {}), # not inheriting from AgentModule # ('DIRAC.TransformationSystem.Agent.WorkflowTaskAgent', {}), # not inheriting from AgentModule ('DIRAC.WorkloadManagementSystem.Agent.JobAgent', {'IgnoreOptions': ['FillingModeFlag', 'JobWrapperTemplate', 'MinimumTimeLeft']}), ('DIRAC.WorkloadManagementSystem.Agent.JobCleaningAgent', {}), ('DIRAC.WorkloadManagementSystem.Agent.PilotStatusAgent', {'IgnoreOptions': ['PilotAccountingEnabled', 'ClearPilotsDelay', 'ClearAbortedPilotsDelay']}), ('DIRAC.WorkloadManagementSystem.Agent.StalledJobAgent', {'IgnoreOptions': ['StalledTimeHours', 'FailedTimeHours', 'StalledJobsTolerantSites', 'Enable']}), ('DIRAC.WorkloadManagementSystem.Agent.StatesAccountingAgent', {}), ('DIRAC.WorkloadManagementSystem.Agent.StatesMonitoringAgent', {}), ('DIRAC.WorkloadManagementSystem.Agent.SiteDirector', {'SpecialMocks': {'findGenericPilotCredentials': S_OK(('a', 'b'))}}), # ('DIRAC.WorkloadManagementSystem.Agent.MultiProcessorSiteDirector', {}), # not inheriting from AgentModule ] LOG = logging.getLogger('Test') @pytest.mark.parametrize('agentPath, options', AGENTS) def test_AgentOptions(agentPath, options, caplog, mocker): """Check that all options in ConfigTemplate are found in the initialize method, including default values.""" caplog.set_level(logging.DEBUG) AgentOptionsTest(agentPath, options, mocker=mocker)
andresailer/DIRAC
ConfigurationSystem/test/Test_agentOptions.py
Python
gpl-3.0
8,791
[ "DIRAC" ]
9d48ea083d75c5fbc960217dbc6bf632dc160df922f1dbe8c8fb19300829b00a
# -*- coding: utf-8 -*- """Batch processing and logic for organizing and binning multiple ADCPData objects. Tools and methods for cateogizing/manipulating/visualizing data in ADCPy/ADCPData format. This module is dependent upon adcpy. This code is open source, and defined by the included MIT Copyright License Designed for Python 2.7; NumPy 1.7; SciPy 0.11.0; Matplotlib 1.2.0 2014-09 - First Release; blsaenz, esatel """ import numpy as np # numpy 1.7 import glob import os import csv import scipy.stats as sp #import scipy.signal as sps import scipy.stats.morestats as ssm from matplotlib.dates import num2date#,date2num, import datetime import adcpy def average_transects(transects,dxy,dz,plotline=None,return_adcpy=True, stats=True,plotline_from_flow=False,sd_drop=0): """ This method takes a list of input ADCPy transect objects, and: 1) Projects and re-grids each transect to either the input plotline, or a best fit of available projected xy locations; 2) Bin-averages the re-gridded U,V, and W velocities of input ADCPTransectData objects Inputs: transects = list of ADCPTransectData objects dxy = new grid spacing in the xy (or plotline) direction dz = new regular grid spacing in the z direction (downward for transects) plotline = optional dsignated line in the xy plane for projecting ensembles onto return_adcpy = True: returns an ADCPData object containing averaged velocities False: returns a 3D numpy array containing U,V,W gridded veloctiy """ n_transects = len(transects) avg = transects[0].copy_minimum_data() if n_transects > 1: # ugly brute-force method ot find furthest points; # ConvexHull-type approach is only available in more recent scipy max_dist = 0.0 centers = [adcpy.util.centroid(a.xy) for a in transects] for c1 in centers: for c2 in centers: max_dist = max(max_dist,adcpy.util.find_line_distance(c1,c2)) print "max dist:",max_dist if max_dist > 30.0: print 'WARNING: averaging transects with maximum centroid distance of %f m!'%max_dist # gather position data for new grid generation xy_data = np.vstack([transects[i].xy for i in range(n_transects)]) z_data = np.hstack([transects[i].bin_center_elevation for i in range(n_transects)]) # find common grid if plotline is None: if plotline_from_flow: flows = transects[0].calc_ensemble_flow(range_from_velocities=False) xy_line = adcpy.util.map_flow_to_line(xy_data,flows[:,0],flows[:,1]) else: xy_line = adcpy.util.map_xy_to_line(xy_data) else: xy_line = plotline # NEED logic around determining whether original data was negative down, positive up, etc z_mm = np.array([np.max(z_data),np.min(z_data)]) (dd,xy_new_range,xy_new,z_new) = adcpy.util.new_xy_grid(xy_data,z_mm,dxy,dz,xy_line,True) # initialize arrays xy_bins = adcpy.util.find_regular_bin_edges_from_centers(xy_new_range) z_bins = adcpy.util.find_regular_bin_edges_from_centers(z_new) new_shape = [len(xy_new_range),len(z_new),3] avg.velocity = np.empty(new_shape) if stats: avg.velocity_n = np.empty(new_shape) avg.velocity_sd = np.empty(new_shape) # generate linear xy,z,velocties for bin averaging, perform bin averaging for i in range(3): bin_ave_inputs = [] mtimes = [] for t in transects: xx,yy,xy_range,xy_line = adcpy.util.find_projection_distances(t.xy,xy_line) bin_ave_inputs.append(adcpy.util.xy_z_linearize_array(xy_range, t.bin_center_elevation, t.velocity[...,i])) xy = np.hstack([bin_ave_inputs[j][0] for j in range(n_transects)]) z = np.hstack([bin_ave_inputs[j][1] for j in range(n_transects)]) values = np.hstack([bin_ave_inputs[j][2] for j in range(n_transects)]) bin_ave = adcpy.util.bin_average(xy,xy_bins,values,z,z_bins,return_stats=stats,sd_drop=sd_drop) bin_ave = adcpy.util.un_flip_bin_average(xy_new_range,z_new,bin_ave) if stats: (avg.velocity[...,i], avg.velocity_n[...,i], avg.velocity_sd[...,i]) = bin_ave else: avg.velocity[...,i] = bin_ave[0] # update adcpData object avg.xy = xy_new avg.bin_center_elevation = z_new avg.n_ensembles = new_shape[0] avg.n_bins = new_shape[1] # report back if return_adcpy: avg.xy_srs = transects[0].xy_srs sources = [transects[i].source for i in range(n_transects)] avg.source = "\n".join(sources) mtimes = [sp.nanmedian(transects[i].mtime) for i in range(n_transects)] mtimes = np.array(filter(None,mtimes)) if mtimes.any(): avg.mtime = np.ones(new_shape[0],np.float64) * sp.nanmean(mtimes) if plotline is not None: plotlinestr = "[%f,%f],[%f,%f]"%(plotline[0,0], plotline[0,1], plotline[1,0], plotline[1,1]) else: plotlinestr='None' avg.history_append('average_transects(dxy=%f,dz=%f,plotline=%s)'%(dxy,dz,plotlinestr)) return avg else: return avg.velocity def write_csv_velocity_array(adcp,csv_filename,no_header=False,un_rotate_velocties=True): """ Writes comma-delimited u,v,w velocties to a text file. Inputs: ADCP = ADCPData object csv_filename = file path of output file no_header = boolean, True = don't write header line Returns: nothing """ # direct dump of numpy array - opps required numpy v1.8 #np.savetext(csv_filename,adcp.velocity,delimiter=",") if un_rotate_velocties: v = adcp.get_unrotated_velocity() else: v = adcp.velocity with open(csv_filename, 'wb') as csvfile: arraywriter = csv.writer(csvfile, delimiter=',', quoting=csv.QUOTE_MINIMAL) if not no_header: if adcp.xy is not None: arraywriter.writerow(['x']+[adcp.xy_srs]) arraywriter.writerow(adcp.xy[:,0].tolist()) arraywriter.writerow(['y']) arraywriter.writerow(adcp.xy[:,1].tolist()) elif adcp.lonlat is not None: arraywriter.writerow(['longitude']) arraywriter.writerow(adcp.lonlat[:,0].tolist()) arraywriter.writerow(['latitude']) arraywriter.writerow(adcp.lonlat[:,1].tolist()) arraywriter.writerow(['bin_center_elevation']) arraywriter.writerow(adcp.bin_center_elevation.tolist()) arraywriter.writerow(['U']) for i in range(adcp.n_ensembles): arraywriter.writerow(v[i,:,0].tolist()) arraywriter.writerow(['V']) for i in range(adcp.n_ensembles): arraywriter.writerow(v[i,:,1].tolist()) arraywriter.writerow(['W']) for i in range(adcp.n_ensembles): arraywriter.writerow(v[i,:,2].tolist()) def write_csv_velocity_db(adcp,csv_filename,no_header=False,un_rotate_velocties=True): """ Writes comma-delimited ensemble-mean U,V Inputs: ADCP = ADCPData object csv_filename = file path of output file no_header = boolean, True = don'r write position data, False = write position data Returns: nothing """ # direct dump of numpy array - opps required numpy v1.8 #np.savetext(csv_filename,adcp.velocity,delimiter=",") if un_rotate_velocties: v = adcp.get_unrotated_velocity() else: v = adcp.velocity with open(csv_filename, 'wb') as csvfile: arraywriter = csv.writer(csvfile, delimiter=',', quoting=csv.QUOTE_MINIMAL) if not no_header: if adcp.xy is not None: header = ['x [%s]'%adcp.xy_srs,'y [%s]'%adcp.xy_srs] elif adcp.lonlat is not None: header = ['longitude [degE]','latitude [degN]'] else: print 'Error, input adcp has no position data - no file written' return header.extend(['z [m]','datetime','u [m/s]','v [m/s]','w [m/s]',]) arraywriter.writerow(header) for i in range(adcp.n_ensembles): for j in range(adcp.n_bins): if adcp.mtime is None: rec_time = 'None' elif adcp.mtime[i] is None or np.isnan(adcp.mtime[i]): rec_time = 'None' else: rec_time = num2date(adcp.mtime[i]).strftime('%c') if adcp.xy is not None: db_record = [adcp.xy[i,0],adcp.xy[i,1]] else: db_record = [adcp.lonlat[i,0], adcp.lonlat[i,1]] db_record = db_record + [adcp.bin_center_elevation[j], rec_time, v[i,j,0], v[i,j,1], v[i,j,2]] arraywriter.writerow(db_record) def write_ensemble_mean_velocity_db(adcp,csv_filename,no_header=False, un_rotate_velocties=True,elev_line=None, range_from_velocities=False): """ Writes comma-delimited velocties to a text file, optionally with xy-positions or lon-lat positions, and bin_center_elveations. The write order for a 2D velocity aray is the first (leftmost) axis is written horizontally. Inputs: ADCP = ADCPData object csv_filename = file path of output file no_header = boolean, True = don'r write position data, False = write position data Returns: nothing """ # direct dump of numpy array - opps required numpy v1.8 #np.savetext(csv_filename,adcp.velocity,delimiter=",") if un_rotate_velocties and adcp.rotation_angle is not None: r_axis = adcp.rotation_axes r_angle = adcp.rotation_angle adcp.set_rotation(None) UVW = adcp.ensemble_mean_velocity(elev_line=elev_line, range_from_velocities=range_from_velocities) adcp.set_rotation(r_angle,r_axis) else: UVW = adcp.ensemble_mean_velocity(elev_line=elev_line, range_from_velocities=range_from_velocities) with open(csv_filename, 'wb') as csvfile: arraywriter = csv.writer(csvfile, delimiter=',', quoting=csv.QUOTE_MINIMAL) if not no_header: if adcp.xy is not None: header = ['x [%s]'%adcp.xy_srs,'y [%s]'%adcp.xy_srs] elif adcp.lonlat is not None: header = ['longitude [degE]','latitude [degN]'] else: print 'Error, input adcp has no position data - no file written' return header.extend(['datetime','U [m/s]','V [m/s]']) arraywriter.writerow(header) for i in range(adcp.n_ensembles): if adcp.mtime is None: rec_time = 'None' elif adcp.mtime[i] is None or np.isnan(adcp.mtime[i]): rec_time = 'None' else: rec_time = num2date(adcp.mtime[i]).strftime('%c') if adcp.xy is not None: db_record = [adcp.xy[i,0],adcp.xy[i,1]] else: db_record = [adcp.lonlat[i,0], adcp.lonlat[i,1]] db_record = db_record + [rec_time, UVW[i,0], UVW[i,1]] arraywriter.writerow(db_record) #def split_repeat_survey_into_transects(adcp_survey): # # if adcp_survey.xy is None: # raise Exception,'ADCP data must have an XY projection for trasect detection and splitting' # velocity_change = np.abs(adcp_survey.xy[1:-1,0]-adcp_survey.xy[0:-2,0]) + \ # np.abs(adcp_survey.xy[1:-1,1]-adcp_survey.xy[0:-2,1]) # sps.find_peaks_cwt(velocity_change, np.arange(1,10), wavelet=None, max_distances=None, gap_thresh=None, min_length=None, min_snr=1, noise_perc=10) def group_adcp_obs_by_spacetime(adcp_obs,max_gap_m=30.0, max_gap_minutes=20.0,max_group_size=6): """ Sorts ADCPData objects first into groups by closeness in terms of location, and then further sorts location groups by time. Groups of ADCPData objects must first be within max_gap_m from each other, and then be within max_gap_minutes of each other. Inputs: adcp_obs = list of ADCPTransectData objects max_gap_m = maximum distance allowed between ADCP observations when grouping max_gap_minutes = maximum time allowed between ADCP observations when grouping max_group_size = maximum number of ADCPData objects per group Returns: List of lists that contain groups of input ADCPData objects """ space_groups = group_adcp_obs_within_space(adcp_obs,max_gap_m) for i in range(len(space_groups)): print 'space group',i,'- ',len(space_groups[i]), 'observations' spacetime_groups = [] for grp in space_groups: (sub_groups, gaps) = group_adcp_obs_within_time(grp, max_gap_minutes, max_group_size) spacetime_groups.extend(sub_groups) for i in range(len(spacetime_groups)): print 'spacetime group',i,'- ',len(spacetime_groups[i]), 'observations' return spacetime_groups def group_adcp_obs_within_space(adcp_obs,max_gap_m=30.0): """ Sorts ADCPData objects into groups by closeness in space, in an ordered-walk/brute force manner. Distances between all ADCO_Data observation centroids are found, and then starting with the first ADCO_data, the remaining ADCPData objects are evaluated for distance to the first. If within 'max_gap_m' they are grouped and marked as 'picked' so they will not assigned to a group more than once. Inputs: adcp_obs = list of ADCPTransectData objects max_gap_m = maximum distance allowed between ADCP observations when grouping Returns: List of lists that contain groups of input ADCPData objects """ n_obs = len(adcp_obs) (centers,distances) = find_centroid_distance_matrix(adcp_obs) picked = np.zeros(n_obs,np.int) groups = [] for i in range(n_obs): if not picked[i] and ~np.isnan(centers[i][0,0]): sub_group = [adcp_obs[i],] picked[i] = 1 my_dist = distances[i,:] nn = np.argsort(my_dist) for n in nn: if not picked[n] and ~np.isnan(centers[n][0,0]): if my_dist[n] < max_gap_m: sub_group.append(adcp_obs[n]) picked[n] = 1 groups.append(sub_group) return groups def group_adcp_obs_within_time(adcp_obs,max_gap_minutes=20.0,max_group_size=6): """ Sorts ADCPData objects into groups by closeness in time, with groups being separated by more than 'max_gap_minutes'.This method first sorts the group by start time, and then splits the observations where they are more than 'max_gap_minutes' apart. Inputs: adcp_obs = list of ADCPTransectData objects max_gap_minutes = maximum Time allowed between ADCP observations when grouping max_group_size = maximum number of ADCPData objects per group Returns: List of lists that contain groups of input ADCPData objects """ if len(adcp_obs) == 1: return ([adcp_obs,], [None,]) else: start_times = list() for a in adcp_obs: if a.mtime is not None: start_times.append(a.mtime[0]) else: start_times.append(None) if start_times: gaps, nn, nnan = find_start_time_gaps(start_times) adcp_obs_sorted = [ adcp_obs[i] for i in nn ] # convert nnan boolean list to integer index nnan_i = nnan * range(len(nnan)) adcp_obs_sorted = [ adcp_obs_sorted[i] for i in nnan_i ] return group_according_to_gap(adcp_obs_sorted,gaps,max_gap_minutes,max_group_size=6) else: raise Exception,"find_transects_within_minimum_time_gap(): No valid times found in input files!" def find_adcp_files_within_period(working_directory,max_gap=20.0,max_group_size=6): """ Sorts a directory of ADCPRdiWorkHorseData raw files into groups by closeness in time, with groups being separated by more than 'max_gap_minutes'. This method first sorts the files by start time, and then splits the observations where they are more than 'max_gap_minutes' apart. Inputs: working_directory = directory path containing ADCP raw or netcdf files max_gap = maximum time allowed between ADCP observations when grouping (minutes) max_group_size = maximum number of ADCPData objects per group Returns: List of lists that contain groups of input ADCPData objects """ if os.path.exists(working_directory): data_files = glob.glob(os.path.join(working_directory,'*[rR].000')) data_files.extend(glob.glob(os.path.join(working_directory,'*.nc'))) else: print "Path (%s) not found - exiting."%working_directory exit() start_times = list() for data_file in data_files: try: a = adcpy.open_adcp(data_file, file_type="ADCPRdiWorkhorseData", num_av=1) start_times.append(a.mtime[0]) except: start_times.append(None) if start_times: gaps, nn, nnan = find_start_time_gaps(start_times) data_files_sorted = [ data_files[i] for i in nn ] # convert nnan boolean list to integer index nnan_i = nnan * range(len(nnan)) data_files_sorted = [ data_files_sorted[i] for i in nnan_i ] return group_according_to_gap(data_files_sorted,gaps,max_gap,max_group_size) def find_start_time_gaps(start_times_list): """ Find the time difference in minutes between datenum elements in a list Sorts, removed nans, adn turns remaing datnum values in 'start_times_list' ino datetime objects, finds the timedelta objects between then, and converts to minutes. Inputs: start_times_list = numpy 1D array of matplotlib datenum values Returns: time_gaps_minutes = gaps between sorted times in start_times_list {minutes} nn = sort index for start_times_list nnan = boolean index of start_times_list[nn] where True is is non-nan """ # sort, remove unknowns, convert to datetime object start_times = np.array(start_times_list, dtype=np.float64) nn = np.argsort(start_times) start_times_sorted = start_times[nn] nnan = ~np.isnan(start_times_sorted) start_times_sorted = num2date(start_times_sorted[nnan]) # returns datetime.timedelta objects time_gaps_minutes = np.zeros(len(start_times_sorted)-1,np.float64) for i in range(len(start_times_sorted)-1): t_delta = start_times_sorted[i+1]-start_times_sorted[i] # timedelta objects only have days/seconds time_gaps_minutes[i] = t_delta.total_seconds()/60.0 return (time_gaps_minutes, nn, nnan) def group_according_to_gap(flat_list,gaps,max_gap,max_group_size): """ Splits a python list into groups by their gaps in time, using a list of gaps between them. Inputs: flat_list = python list, shape [n] gaps = numeric list, shape [n-1], descibing gaps between elements of flat_list max_gap = maximum gap allowed between list elements max_group_size = maximum number of list elements per group Returns: List of lists that contain groups of input list elements """ within_gap = gaps <= max_gap groups = list() group_gaps = list() sub_group = list() sub_gaps = list() sub_group.append(flat_list[0]) for i in range(len(gaps)): if ~within_gap[i] or len(sub_group) >= max_group_size: groups.append(sub_group) if not sub_gaps: sub_gaps.append((None,)) group_gaps.append(sub_gaps) sub_group = [] sub_gaps = [] else: sub_gaps.append(gaps[i]) sub_group.append(flat_list[i+1]) groups.append(sub_group) if not sub_gaps: sub_gaps.append((None,)) group_gaps.append(sub_gaps) # returning (list of file lists, list of gap time lists) return (groups, group_gaps) def calc_transect_flows_from_uniform_velocity_grid(adcp,depths=None,use_grid_only=False): """ Calculates the cross-sectional area of the ADCP profiles from projection data, and multiplies it by the velocities to calculate flows and mean velocities. Inputs: adpc = ADCPData object. projected to an xy regualr grid projection depths = optional 1D array of depths that correspond the ensemble dimension of velocity in adcp use_grid_only = True: use each grid cell to calc flows/mean velocities False: first find depth-average velocties, then use depths to find flows/mean velocties Returns: scalar_mean_vel = mean veolocity of total flow shape [3] {m/s} depth_averaged_vel = depth averaged velocity, shape [n,3] {m/s} total_flow = total U,V, and W discharge [3] {m^3/s} total_survey_area = total area used for flow calculations {m^3} """ # check to see if adcp is child of ADCPTransectData ?? if adcp.xy is None: ValueError("xy projection required") raise if adcp.rotation_angle is None: print 'Warning - No alignment axis set: Calculating flows according to U=East and V=North' rfv = False if not "bt_depth" in dir(adcp): rfv = True elif adcp.bt_depth is None: rfv = True xd,yd,dd,xy_line = adcpy.util.find_projection_distances(adcp.xy) dxy = abs(dd[0]-dd[1]) dz = abs(adcp.bin_center_elevation[0]-adcp.bin_center_elevation[1]) (depths, velocity_mask) = adcp.get_velocity_mask(range_from_velocities=rfv,nan_mask=True) if use_grid_only: area_grid = velocity_mask*dxy*dz total_survey_area = np.nansum(np.nansum(area_grid)) scalar_mean_vel = np.zeros(3) total_flow = np.zeros(3) depth_averaged_vel = np.zeros((adcp.n_ensembles,3)) for i in range(3): total_flow[i] = np.nansum(np.nansum(adcp.velocity[:,:,i]*area_grid)) masked_vel = adcp.velocity[:,:,i]*velocity_mask depth_averaged_vel[:,i] = sp.nanmean(masked_vel,axis=1) scalar_mean_vel[i] = sp.nanmean(masked_vel.ravel()) else: if rfv: print 'Warning - No bottom depth set: Calculating flows according valid velocity bins only' total_survey_area = np.nansum(dxy*depths) depth_averaged_vel = adcp.ensemble_mean_velocity(range_from_velocities=rfv) depth_integrated_flow = adcp.calc_ensemble_flow(range_from_velocities=rfv) scalar_mean_vel = sp.nanmean(depth_averaged_vel,axis=0) total_flow = np.nansum(depth_integrated_flow,axis=0) return (scalar_mean_vel, depth_averaged_vel, total_flow, total_survey_area) def find_centroid_distance_matrix(adcp_obs): """ Calculates all possible distances between a list of ADCPData objects (twice...ineffcient) Inputs: adcp_obs = list ADCPData objects, shape [n] Returns: centers = list of centorids of ensemble locations of input ADCPData objects, shape [n] distances = xy distance between centers, shape [n-1] """ n_obs = len(adcp_obs) distances = np.empty((n_obs,n_obs),np.float64) centers = [] for a in adcp_obs: if a.xy is not None: centers.append(adcpy.util.centroid(a.xy)) else: centers.append(np.array([np.nan,np.nan])) centers = [adcpy.util.centroid(a.xy) for a in adcp_obs] for i in range(n_obs): for j in range(n_obs): distances[i,j] = adcpy.util.find_line_distance(centers[i],centers[j]) return (centers,distances) def transect_rotate(adcp_transect,rotation,xy_line=None): """ Calculates all possible distances between a list of ADCPData objects (twice...ineffcient) Inputs: adcp_obs = list ADCPData objects, shape [n] Returns: centers = list of centorids of ensemble locations of input ADCPData objects, shape [n] distances = xy distance between centers, shape [n-1] """ """ Rotates ADCPTransectData U and V velocities. Inputs: adcp_transect = ADCPTransectData object rotation = one of: None - no rotation of averaged velocity profiles 'normal' - rotation based upon the normal to the plotline (default rotation type) 'pricipal flow' - uses the 1st principal component of variability in uv flow direction 'Rozovski' - individual rotation of each verticle velocity to maximize U 'no transverse flow' - rotation by the net flow vector is used to minnumize V xy_line = numpy array of line defined by 2 points: [[x1,y1],[x2,y2]], or None Returns adcp_transect = ADCPTransectData object with rotated uv velocities """ if rotation == "normal": # find angle of line: if xy_line is None: if adcp_transect.xy is None: raise Exception,"transect_rotate() error: ADCPData must be xy projected, or input xy_line must be supplied for normal rotation" xy_line = adcpy.util.map_xy_to_line(adcp_transect.xy) theta = adcpy.util.calc_normal_rotation(xy_line) elif rotation == "no transverse flow": flows = adcp_transect.calc_ensemble_flow(range_from_velocities=True) theta = adcpy.util.calc_net_flow_rotation(flows[:,0],flows[:,1]) elif rotation == "Rozovski": flows = adcp_transect.calc_ensemble_flow(range_from_velocities=True) theta = adcpy.util.calc_Rozovski_rotation(flows[:,0],flows[:,1]) elif rotation == "principal flow": flows = adcp_transect.calc_ensemble_flow(range_from_velocities=True) theta = adcpy.util.principal_axis(flows[:,0],flows[:,1],calc_type='EOF') elif type(rotation) is str: raise Exception,"In transect_rotate(): input 'rotation' string not understood: %s"%rotation else: theta = rotation adcp_transect.set_rotation(theta,'uv') return adcp_transect def find_uv_dispersion(adcp): """ Calculates dispersion coeffcients of velocties in adcp according to Fischer et al. 1979 Inputs: adcp = ADCPTransectData object Returns: ustbar = Kx_3i = horizontal dispersion coefficients Ky_3i = lateral dispersion coefficients """ # should check to see if it is regular grid - required for dispersion calc if adcp.xy is None: ValueError("adcp.xy (xy projection) must exist for dispersion calculation") raise if adcp.bt_depth in adcp.__dict__: depth = adcp.bt_depth else: (depth, velocity_mask) = adcp.get_velocity_mask(range_from_velocities=True, nan_mask=True) xd,yd,dd,xy_line = adcpy.util.find_projection_distances(adcp.xy) return adcpy.util.calcKxKy(adcp.velocity[:,:,0], adcp.velocity[:,:,1], dd, adcp.bin_center_elevation, depth)
esatel/ADCPy
adcpy/adcpy_recipes.py
Python
mit
28,389
[ "NetCDF" ]
a8f1019fd0328492d2b37670e4a30537e6ed67e8955ba2b174a373cf59181982
# Author: Prabhu Ramachandran # License: BSD style # Copyright (c) 2004, Enthought, Inc. """ A Traits-based wrapper for the Visualization Toolkit. Part of the Mayavi project of the Enthought Tool Suite. """ from os.path import exists, join, dirname, isdir # The tvtk wrapper code is all typically inside one zip file. We try to # find this file and put it in __path__ and then create the 'tvtk' module # wrapper from that. If the ZIP file is extracted into a tvtk_classes # directory the ZIP file is not used and the tvtk_classes directory is # inserted into sys.path and the directory contents are used for the tvtk # classes -- note that you must have the following structure # tvtk_classes/tvtk_classes/__init__.py. This is handy for tools like # pydev (Eclipse). # We add the path to the local __path__ here, in the __init__, so that # the unpickler can directly unpickle the TVTK classes. _zip = join(dirname(__file__), 'tvtk_classes.zip') tvtk_class_dir = join(dirname(__file__), 'tvtk_classes') if exists(tvtk_class_dir) and isdir(tvtk_class_dir): # Nothing to do, it will imported anyhow. pass elif exists(_zip): __path__.append(_zip)
dmsurti/mayavi
tvtk/__init__.py
Python
bsd-3-clause
1,169
[ "Mayavi" ]
e56e8767744f61558604accc2d583ddfe2dc091774cc5526f9869ccaee70492b
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2018 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This file is part of Psi4. # # Psi4 is free software; you can redistribute it and/or modify # it under the terms of the GNU Lesser General Public License as published by # the Free Software Foundation, version 3. # # Psi4 is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU Lesser General Public License for more details. # # You should have received a copy of the GNU Lesser General Public License along # with Psi4; if not, write to the Free Software Foundation, Inc., # 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. # # @END LICENSE # import collections import numpy as np from ..physconst import psi_bohr2angstroms def to_string(molrec, dtype, units='Angstrom', atom_format=None, ghost_format=None, width=17, prec=12): #, return_options=False): """Format a string representation of QM molecule. Parameters ---------- molrec : dict Psi4 json Molecule spec. dtype : {'xyz'} Overall string format. Note that it's possible to request variations that don't fit the dtype spec so may not be re-readable (e.g., ghost and mass in nucleus label with 'xyz'). 'cfour' forces nucleus label, ignorming atom_format, ghost_format units : {'Angstrom', 'Bohr'} Units in which to write string. There is not an option to write in intrinsic/input units. For `dtype='xyz', units='Bohr'` where the format doesn't have a slot to specify units, "au" is added so that readable as 'xyz+'. atom_format : str, optional General format is '{elem}'. A format string that may contain fields 'elea' (-1 will be ''), 'elez', 'elem', 'mass', 'elbl' in any arrangement. For example if a format naturally uses element symbol and you want atomic number instead with mass info, too, pass '{elez}@{mass}'. See `ghost_format` for handling field 'real'. ghost_format : str, optional General format is '@{elem}'. Like `atom_format`, but this formatter is used when `real=False`. To suppress ghost atoms, use `ghost_format=''`. width : int, optional Field width for formatting coordinate float. prec : int, optional Number of decimal places for formatting coordinate float. # return_options : bool, optional # Some dtypes (cfour) can also return options knowable from `molrec` Returns ------- smol : str String representation of the molecule. # opts : dict # Only when `return_options=True`Some formats (cfour) can also return options """ #funits, fiutau = process_units(molrec) #molrec = self.to_dict(force_units=units, np_out=True) if molrec['units'] == 'Angstrom' and units == 'Angstrom': factor = 1. elif molrec['units'] == 'Angstrom' and units == 'Bohr': if 'input_units_to_au' in molrec: factor = molrec['input_units_to_au'] else: factor = 1. / psi_bohr2angstroms elif molrec['units'] == 'Bohr' and units == 'Angstrom': factor = psi_bohr2angstroms elif molrec['units'] == 'Bohr' and units == 'Bohr': factor = 1. else: raise ValidationError("""units must be 'Angstrom'/'Bohr', not {}""".format(units)) geom = np.array(molrec['geom']).reshape((-1, 3)) * factor name = molrec.get('name', formula_generator(molrec['elem'])) tagline = """auto-generated by qcdb from molecule {}""".format(name) if dtype == 'xyz': atom_format = '{elem}' if atom_format is None else atom_format ghost_format = '@{elem}' if ghost_format is None else ghost_format atoms = _atoms_formatter(molrec, geom, atom_format, ghost_format, width, prec, 2) nat = len(atoms) first_line = """{}{}""".format(str(nat), ' au' if units == 'Bohr' else '') smol = [first_line, name] smol.extend(atoms) elif dtype == 'cfour': # Notes # * losing identity of ghost atoms. picked up again in basis formatting # * casting 'molecular_charge' to int # * no spaces at the beginning of 1st/comment line is important atom_format = '{elem}' ghost_format = 'GH' atoms = _atoms_formatter(molrec, geom, atom_format, ghost_format, width, prec, 2) smol = [tagline] smol.extend(atoms) elif dtype == 'nwchem': atom_format = '{elem}' ghost_format = 'GH' atoms = _atoms_formatter(molrec, geom, atom_format, ghost_format, width, prec, 2) first_line = """geometry units {}""".format(units.lower()) # noautosym nocenter # no reorienting input geometry fix_symm = molrec.get('fix_symmetry', None) symm_line = '' if fix_symm: symm_line = 'symmetry {}'.format(fix_symm) # not quite what Jiyoung had last_line = """end""" smol = [first_line] smol.extend(atoms) smol.append(symm_line) smol.append(last_line) return '\n'.join(smol) def _atoms_formatter(molrec, geom, atom_format, ghost_format, width, prec, sp): """Format a list of strings, one per atom from `molrec`.""" #geom = molrec['geom'].reshape((-1, 3)) nat = geom.shape[0] fxyz = """{:>{width}.{prec}f}""" sp = """{:{sp}}""".format('', sp=sp) atoms = [] for iat in range(nat): atom = [] atominfo = {'elea': '' if molrec['elea'][iat] == -1 else molrec['elea'][iat], 'elez': molrec['elez'][iat], 'elem': molrec['elem'][iat], 'mass': molrec['mass'][iat], 'elbl': molrec['elbl'][iat]} if molrec['real'][iat]: nuc = """{:{width}}""".format(atom_format.format(**atominfo), width=width) atom.append(nuc) else: if ghost_format == '': continue else: nuc = """{:{width}}""".format(ghost_format.format(**atominfo), width=width) atom.append(nuc) atom.extend([fxyz.format(x, width=width, prec=prec) for x in geom[iat]]) atoms.append(sp.join(atom)) return atoms def formula_generator(elem): """Return simple chemical formula from element list `elem`. >>> formula_generator(['C', 'Ca', 'O', 'O', 'Ag'] AgCCaO2 """ counted = collections.Counter(elem) return ''.join((el if cnt == 1 else (el + str(cnt))) for el, cnt in sorted(counted.items())) if __name__ == '__main__': formula_generator(['C', 'Ca', 'O', 'O', 'Ag'])
amjames/psi4
psi4/driver/qcdb/molparse/to_string.py
Python
lgpl-3.0
6,850
[ "CFOUR", "NWChem", "Psi4" ]
398ef010c511cb545b72a47170075e09f70bffadea951e02caacc1c2292c8e89
""" Compute optical responses with OPTpy """ from OPTpy import OPTflow,Structure #from myLRC import mkjob_by_task flow = OPTflow( dirname = './', # # Common variables: # prefix = 'gaas', # Root name for files required by Tiniba # Structure from file: structure=Structure.from_file('GaAs.cif'), # # Pseudopotentials: # pseudo_dir = './', pseudos = ['31ga.3.hgh', '33as.5.hgh'], ecut = 15.0, # Cutoff energy for wavefunctions nspinor = 2, # Number of spinorial components # # Variables for density: # ngkpt = [4,4,4], # k-point grid for density kshift = [[.5,.5,.5],[.5,0,0],[0,.5,0],[0,0,.5]], # k-point shift for density # # Variables for momentum matrix elements and responses: # kgrid_response=[4,4,4], # k-point grid for responses nband=36, # Total number of bands nbdbuf=2, # Bands in buffer (see Abinit documentation) nval_total=8, # Total number of valence bands # # Variables for responses: # # Bands to include for transitions (can be less than for RPMNS) ncond=8, # Number of conduction bands to include nval=8, # (= nval_total) All valence bands must be included, not working yet for nval < nval_total # Response to calculate, see Doc. in responses.py response=21, #21 for SHG, 1 for linear response components=["xyz"], #xyz tensor component # WFN and RPMS calculation split by k-points split_by_proc=False, # Default parameters for the MPI runner. # Please adapt them to your needs. nproc = 16, nproc_per_node = '', mpirun = 'mpirun', nproc_flag = '', nproc_per_node_flag = '', mpi_extra_vars='', ) # Execution # This is my local execution task: flow.write() # # In case you need to load modules (in clusters), # please modify this #modules="\ #module swap gcc intel \n\ #module load openmpi mkl\n\ #module load intel/2013_sp1.4.211 openmpi hdf5/1.8.13-intel-p\n" # # Not yet working: #flow.run() #flow.report()
trangel/OPTpy
examples/flows/GaAs.py
Python
gpl-3.0
2,072
[ "ABINIT" ]
f40172a7a4a182994e4af3c28a10a2ac3bf5989a2a5d66ed1f8e6ea9887d2393
# -*- coding: utf-8 -*- """ Created on Wed May 11 08:08:52 2016 @author: tkc """ import re from collections import defaultdict import pandas as pd import numpy as np import scipy import scipy.stats from scipy import optimize from math import factorial # used by Savgol matrix from scipy.optimize import curve_fit #%% def organizecolumns(df1,mycols): ''' Pass df and template (list of desired columns in desired order) and return reorganized newdf ''' cols1=df1.columns.tolist() newdf=df1 # avoids modification of passed df uniquelist=[i for i in cols1 if i not in mycols] for i,colname in enumerate(uniquelist): # remove cols from df1 that are absent from df2 # newdf.drop(colname, axis=1, inplace=True) # this modifies both passed and returned dfs newdf=newdf.drop(colname, axis=1) newdf=newdf[mycols] # reorder columns based on template df return newdf def parseelemlist(elemlist): '''Find and separate multielement peaks to be averaged (e.g. Fe2 & Fe) from longer string of element peaks e.g. splits "Mg Fe Fe2 Si" into "Mg Si" and "{Fe,[Fe,Fe2]} dictionary''' # Strip numbers from strings within list newlist=[re.match('\D+',i).group(0) for i in elemlist] # find duplicated peaks (multiple peaks per element) Multielem = defaultdict(list) for i, item in enumerate(newlist): Multielem[item].append(i) Multielem = {k:v for k,v in Multielem.items() if len(v)>1} # dictionary with duplicated item and list with indices duplist=list(Multielem.values()) # get list duplist=[item for sublist in duplist for item in sublist] # single list with positions of duplicated elements # now alter multipeak elements list to give dict with element and then list of peak for that element for key,value in Multielem.items(): templist=value # dictionary value is list of elem peak index positions peaklist=[] for i, index in enumerate(templist): # create new list with original elem peak from index positions peaklist.append(elemlist[index]) # now replace list of index positions with elempeak names Multielem.update({key:peaklist}) # key will be multipeak element string i.e. "Fe" # finally construct new single elements list with multipeak ones removed (handle each separately) newelemlist=[] for i in range(0,len(elemlist)): if i not in duplist: newelemlist.append(elemlist[i]) return newelemlist, Multielem def parseelem2(elemlist, Multielem): ''' After multielement peaks removed, also move secondary peaks used as primary to dict (handle separately) e.g. splits "S Mg Fe2 Si" into "S Mg Si" and "{Fe,[Fe2]} dictionary; same structure and df output for averaging of Fe, Fe2, or straight Fe2 or straight Fe''' # starting elemlist will only have single entries (i.e Ti2 but not Ti & Ti2) newelemlist=[] for i, elem in enumerate(elemlist): if re.search(r'\d',elem): # has number match=re.search(r'\d',elem) newkey=elem[0:match.start()] # store alt quant (i.e. on Ti2) with same structure as multiple quant (Ti & Ti2) # Another entry in multielement list... makes things easier for later quant comparisons templist=[] # peakIDs added as list (of length 1) templist.append(elem) # list containing single string (keeps identical data structure) Multielem.update({newkey:templist}) # add to existing dictionary for separate handling else: newelemlist.append(elemlist[i]) # just copy over return newelemlist, Multielem # return altered element list and multielem dictionary def getelemthresholds(elemlist, AESquantparams): '''get element-dependent significance thresholds for each peak from AESquantparams return dictionary with element and associated significance level''' thresholds={} # returns list of element dependent thresholds for this element set for i, elem in enumerate(elemlist): # find row in AESquantparams for this element thiselemdata=AESquantparams[(AESquantparams['element']==elem)] thiselemdata=thiselemdata.squeeze() # series with this elements params thresholds.update({elem:thiselemdata.siglevel}) return thresholds def cloneparamrows(df): ''' Make param log entry for for each areanum - used by calccomposition to correctly process spe files with multiple spatial areas passed df is usually list of spe files this solves problem that AugerParamLog only has one entry (despite possibly having multiple distinct areas with different spectra''' df['Areanumber']=1 # set existing entries as area 1 mycols=df.dtypes.index newrows=pd.DataFrame(columns=mycols) # blank df for new entries for index, row in df.iterrows(): numareas=int(df.loc[index]['Areas']) for i in range(2,numareas+1): newrow=df.loc[index] # clone this row as series newrow=newrow.set_value('Areanumber',i) newrows=newrows.append(newrow) df=pd.concat([df,newrows], ignore_index=True) # merge new rows with existing ones df=df.sort_values(['Filenumber','Areanumber']) return df def calccomp(df, Integquantlog, elemlist, AESquantparams): '''Calculate elemental composition of given files based on input element list threshold - ratio of element peak to noise peak (0 means no threshold applied load element-dependent significance level from AESquantparams''' thresholds=getelemthresholds(elemlist, AESquantparams) # Get list of sigma levels for significance/inclusion # thresholds for both single and multipeak elemlist, multipeaklist = parseelemlist(elemlist) # list of single peak elements and dict with multipeaks # check if any of the single peaks are secondary (i.e. quant on Fe2 not main Fe) elemlist, multipeaklist= parseelem2(elemlist, multipeaklist) # two element lists needed (elements with one peak and elements with compositions averaged from two peaks i.e. Fe2, Fe3) # to process compositions from multiple areas, clone rows from spe log (one for each areanum) df=cloneparamrows(df) # splits single entry for 5 spatial area spe into 5 rows with Areanumber 1-5 df=df.reset_index(drop=True) df['AESbasis']=0.0 # resets to zero if already present from calcamplitude mycols=['Filenumber', 'Project', 'Filename', 'FilePath', 'Sample', 'Comments','AESbasis','Areanumber'] for i, elem in enumerate(elemlist): # add columns for basis df[elem]=0.0 # add col for each element to spelist df['sig'+elem]=0.0 # copy peak significance (ratio of integrated counts over 1 sigma of background) df['err'+elem]=0.0 # another for total error in adjusted counts basis mycols.append(elem) mycols.append('sig'+elem) mycols.append('err'+elem) for i,elem in enumerate(list(multipeaklist.keys())): # get elements (keys) from dict df[elem]=0.0 df['sig'+elem]=0.0 df['err'+elem]=0.0 mycols.append(elem) mycols.append('sig'+elem) mycols.append('err'+elem) for i, elem in enumerate(elemlist): # now add at.% columns (e.g. %S, %Mg) colname='%'+elem # at % columns named %S, %Mg, etc. errname='err%'+elem mycols.append(colname) # add to column list template mycols.append(errname) df[colname]=0.0 df[errname]=0.0 for i,elem in enumerate(list(multipeaklist.keys())): # add multipeak elements colname='%'+elem # at % columns named %S, %Mg, etc. errname='err%'+elem mycols.append(colname) # add to column list template mycols.append(errname) df[colname]=0.0 df[errname]=0.0 for i in range(0,len(df)): # loop through all desired spectrum (multiarea ones already have duplicated rows) filenum=df.iloc[i]['Filenumber'] areanum=df.iloc[i]['Areanumber'] match=Integquantlog[Integquantlog['Filenumber']==filenum] # find integ data for this filenumber match=match[match['Areanumber']==areanum] basis=0.0 # for j, elem in enumerate(elemlist): # handle the single peak elements temp=match[match['Element']==elem] # finds entry for this element if len(temp)==1: # thresholds is dict with required significance level for each element thisthresh=thresholds.get(elem) # sig level for this element df=df.set_value(i, 'sig'+elem, temp.iloc[0]['Significance']) # always copy peak significance level if temp.iloc[0]['Significance']>thisthresh: # if above set threshold then calculate elem's value and add to basis df=df.set_value(i, elem, temp.iloc[0]['Adjcnts']) # copy adjusted counts of this element df=df.set_value(i, 'err'+elem, temp.iloc[0]['Erradjcnts']) basis+=temp.iloc[0]['Adjcnts'] # add this element's value to AES basis # now handle the multipeak elements (get average value from both peaks) for key, value in multipeaklist.items(): # key is element (aka colname in df), value is list of peaks in Smdifpeakslog templist=value # dictionary value is list of elem peak index positions numlines=len(templist) # this is number of lines that are average (i.e. 2 for Fe&Fe2) avgval=0.0 # working value for averaged adjamplitude erravgval=0.0 # combined error from erradjcnts of each line for k, peak in enumerate(templist): # create new list with original elem peak from index positions temp=match[match['Element']==peak] # finds integquantlog entry for this peak (match already trimmed to filenum and area) if len(temp)==1: thisthresh=thresholds.get(peak) # sig level for this element/peak df=df.set_value(i, 'sig'+elem, temp.iloc[0]['Significance']) # copy peak significance level if temp.iloc[0]['Significance']>thisthresh: avgval+=temp.iloc[0]['Adjcnts'] thiserrperc=temp.iloc[0]['Erradjcnts']/temp.iloc[0]['Adjcnts']**2 erravgval+=thiserrperc # sum of square of relative error else: numlines=numlines-1 # if peak is zeroed out and not added, this reduces # peaks in average if numlines>0: # avoid divbyzero if peak is too small avgval=avgval/numlines # this is now average basis for given element erravgval=np.sqrt(erravgval) # sqrt of sum of squares is relative error df=df.set_value(i, key, avgval) # copy adjusted amplitude of this element df=df.set_value(i, key+'err', avgval*erravgval) # combined actual error of this elem (as detemined from mulitple lines) # add value from this element to AESbasis basis+=avgval # end of multipeak elements loop df=df.set_value(i, 'AESbasis', basis) # write total basis value to df # Now compute at.% for each listed element (incl errors) for j, elem in enumerate(elemlist): colname='%'+elem ratio=df.iloc[i][elem]/df.iloc[i]['AESbasis'] # initialized to zero in cases where peak is below significance threshold df.set_value(i, colname, ratio) temp=match[match['Element']==elem] # again find peak entry and get finds entry for this peak # TODO maybe check threshold again (although element's value will be zero) if len(temp)==1: thiserr=temp.iloc[0]['Erradjcnts'] atpercerr=thiserr/df.iloc[i]['AESbasis'] errname='err%'+elem # error column df.set_value(i, errname, atpercerr) # Writes absolute error in at% # Also calculate for elements w/ multiple peaks (if present) for key, value in multipeaklist.items(): templist=value # dictionary value is list of elem peak index positions numlines=len(templist) # this is number of lines that are average (i.e. 2 for Fe&Fe2) colname='%'+key ratio=df.iloc[i][key]/df.iloc[i]['AESbasis'] df.set_value(i, colname, ratio) # TODO need to propagate errors through Fe & Fe2 errlist=[] # list of errors in % (usually max of two) for k, peak in enumerate(templist): # create new list with original elem peak from index positions temp=match[match['Element']==peak] # finds entry for this peak if len(temp)==1: if temp.iloc[0]['Adjcnts']>0: # skip negative values err=temp.iloc[0]['Erradjcnts']/temp.iloc[0]['Adjcnts'] errlist.append(err) # add this to list # combine errors in quadrature totalerr=0.0 for j, err in enumerate(errlist): totalerr+=err**2 totalerr=np.sqrt(totalerr) # percent error in at % # now get actual error thisval=df.iloc[i][key] # this is averaged value computed above (possibly zero if below thresholds ) thiserr=thisval*totalerr # error (in Fe) as actual value based on average of multiple peaks atpercerr=thiserr/df.iloc[i]['AESbasis'] errname='err%'+ key # error column df.set_value(i, errname, atpercerr) # Writes absolute error in at% # end of loop calculation for each spectrum # organize data based on mycols template df=organizecolumns(df,mycols) return df def calcadjcounts(df, AESquantparams, sig=2, kerrors=True): '''For each elemental peak in interquantlog, calculate or recalcuated adjusted counts using k-factor2 and mass result stored in adjcnts column and used for subsequent compositional determinations can change AESquantresults and recalc at any time; sig (aka 2 sigma errors) is default setting kerrors -- include error associated with kfactor (along with Poisson errors)''' if 'Adjcnts' not in df: df['Adjcnts']=0.0 # new column for adjusted amplitude (if not already present) if 'Erradjcnts' not in df: df['Erradjcnts']=0.0 # new column for associated error if 'err%cnts' not in df: df['err%cnts']=0.0 # percentage error only from counting statistics (not including kfactor err) if 'err%total' not in df: df['err%total']=0.0 # percentage error only from counting statistics (not including kfactor err) # loop for each element, mask df, get appropriate k-factor & mass df=df.reset_index(drop=True) # go ahead and reset index elemlist=np.ndarray.tolist(df.Element.unique()) # list of unique elements from df for i,elem in enumerate(elemlist): match=AESquantparams[(AESquantparams['element']==elem)] match=match.reset_index(drop=True) kfactor2=match.iloc[0]['kfactor2'] # kfactor and mass for this element/peak errkf2=match.iloc[0]['errkf2'] # percent error in above for integ method mass=match.iloc[0]['mass'] elemmask=(df['Element']==elem) # mask for this element in loop for j in range(0,len(df)): # loop and set adjamplitude to amp*kfact/mass if elemmask[j]==True: # row has this element newval=df.iloc[j]['Integcounts']*kfactor2/mass percerr=sig/np.sqrt(df.iloc[j]['Integcounts']) # 2/sqrt(N) is percent error totalerr=np.sqrt(errkf2**2+percerr**2) # combine in quadrature err=newval*totalerr # error value is adjusted counts * 2 sig error percentage df=df.set_value(j,'Adjcnts',newval) df=df.set_value(j,'err%cnts',percerr) df=df.set_value(j,'err%total',totalerr) df=df.set_value(j,'Erradjcnts',err) return df ''' TESTING df=lowerfitpeak ''' def makelinebackground(df, areanum, fitparams): '''Create linear background under peak region passed small slice of Augerfile df just peak region and small adjacent background ''' if fitparams[0]=='n/a': # prior linregresss problem return df # return unmodified file slope=fitparams[0] intercept=fitparams[1] backfitname='Backfit'+str(areanum) for index,row in df.iterrows(): # blend between lower line and upper line xval=df.loc[index]['Energy'] yval=slope*xval+intercept df=df.set_value(index,backfitname,yval) return df # return same df with interpolated background region added def makeinterplinebackground(df, areanum, lowerfitparams, upperfitparams): '''Create interpolated background from lower and upper peak fits passed small slice of Augerfile df just peak region and small adjacent background ''' # check for n/a values if lowerfitparams[0]=='n/a' or upperfitparams[0]=='n/a': # prior linregresss problem return df # return unmodified file lowslope=lowerfitparams[0] lowintercept=lowerfitparams[1] upslope=upperfitparams[0] upintercept=upperfitparams[1] backfitname='Backfit'+str(areanum) if len(df)>0: # entire region passed should have no vals in backfit (only interpolated region) evstep=1/(len(df)+1) else: print('Unspecified error in creating background') return startrow=df.iloc[0].name # index of first value for index,row in df.iterrows(): # blend between lower line and upper line xval=df.loc[index]['Energy'] yval=(1-evstep*(index-startrow))*(lowslope*xval+lowintercept)+evstep*(index-startrow)*(upslope*xval+upintercept) df=df.set_value(index,backfitname,yval) return df # return same df with interpolated background region added def fitCapeak(df, areanum, elem, AugerFileName): '''Pass appropriate chunk from Auger spectral dataframe, perform linear fit return chunk with backfit column added ''' colname='Smcounts'+str(areanum) backfitname='Backfit'+str(areanum) xcol=df['Energy'] ycol=df[colname] # Counts1, Counts2 or whatever # find relative minimum try: parabfunc=lambda x, a, b, c: a*x**2 + b*x + c # lambda definition of cubic poly fitparams, cov =curve_fit(parabfunc, xcol, ycol) # scipy optimize ss_res=np.dot((ycol-parabfunc(xcol,*fitparams)), (ycol-parabfunc(xcol,*fitparams))) # dot product of diff between data and function ymean=np.mean(ycol) # mean of dataset ss_tot=np.dot((ycol-ymean),(ycol-ymean)) R2=1-(ss_res/ss_tot) # coeff of determination # diagonal of covariance matrix contains variances for fit params except: # deal with common problems with linregress print('Fitting error for', elem, ' in file ', AugerFileName) fitparams=('n/a','n/a','n/a') # return all n/a R2='n/a' return df, fitparams, R2 for index,row in df.iterrows(): xval=df.loc[index]['Energy'] yval= fitparams[0] * xval**2+ fitparams[1] * xval + fitparams[2] df=df.set_value(index, backfitname, yval) return df, fitparams, R2 def makeCabackground(df, areanum, fitparams): ''' Fill background col of auger spe file with values derived from 2nd order poly fit (pass region under peak not fitted by fit Ca peak (which only grabs adjacent background)''' backfitname='Backfit'+str(areanum) if len(fitparams)!=3: # prior fitting error already reported via print return df A=fitparams[0] B=fitparams[1] C=fitparams[2] for index,row in df.iterrows(): # blend between lower line and upper line xval=df.loc[index]['Energy'] yval=A*xval**2+ B* xval +C df=df.set_value(index,backfitname,yval) return df def fitcubic(df, areanum, elem, AugerFileName): '''Pass appropriate chunk from Auger spectral dataframe, perform cubic fit return chunk with backfit column added ''' colname='Smcounts'+str(areanum) # use smoothed data for background fits backfitname='Backfit'+str(areanum) xcol=df['Energy'] ycol=df[colname] # Counts1, Counts2 or whatever # find relative minimum try: cubicfunc=lambda x, a, b, c, d: a*x**3 + b*x**2 + c*x + d # lambda definition of cubic poly fitparams, cov =curve_fit(cubicfunc, xcol, ycol) # scipy optimize ss_res=np.dot((ycol-cubicfunc(xcol,*fitparams)), (ycol-cubicfunc(xcol,*fitparams))) # dot product of diff between data and function ymean=np.mean(ycol) # mean of dataset ss_tot=np.dot((ycol-ymean),(ycol-ymean)) R2=1-(ss_res/ss_tot) # coeff of determination # TODO insert special handling for failed fits (some R2 threshold) # Maybe restrictions on curvature except: # deal with failed fit print('Fitting error for', elem, ' in file ', AugerFileName) fitparams=('n/a','n/a','n/a','n/a') # return all n/a return df, fitparams for index,row in df.iterrows(): xval=df.loc[index]['Energy'] yval= fitparams[0] * xval**3+ fitparams[1] * xval**2 + fitparams[2] * xval + fitparams[3] df=df.set_value(index, backfitname, yval) return df, fitparams, R2 def makecubicbackground(df, areanum, fitparams): ''' Fill background col of auger spe file with values derived from 2nd order poly fit (pass region under peak not fitted by fit Ca peak (which only grabs adjacent background)''' backfitname='Backfit'+str(areanum) if len(fitparams)!=4: # prior fitting error already reported via print return df A=fitparams[0] B=fitparams[1] C=fitparams[2] D=fitparams[3] for index,row in df.iterrows(): # blend between lower line and upper line xval=df.loc[index]['Energy'] yval= A * xval**3+ B * xval**2 + C * xval + D df=df.set_value(index,backfitname,yval) return df ''' For background fit testing Augerfile=pd.read_csv('C2010W_18Nov15_12231225.csv') areanum=1 elem=Elemdata[0][0] fittype=Elemdata[0][1] integpeak=Elemdata[0][2] lower1=Elemdata[0][3] lower2=Elemdata[0][4] upper1=Elemdata[0][5] upper2=Elemdata[0][6] df=fitregion Augerfile.to_csv('C2010W_18Nov15_12231225.csv', index=False) ''' ''' TESTING OF BELOW FITS plt.plot(xcol,ycol,'b-') # actual data in blue plt.plot(xcol,gaussian(fitparams, xcol),'r-') # Gaussian fit in red ''' def fitgauss(df, areanum, width, elem, AugerFileName, addgauss=True): ''' Gaussian fit of direct peaks (pass Augerfile just around peaks region no need to save Gaussian fit, just return width and other params integwidth pass from AESquantparams value''' peakname='Peaks'+str(areanum) # Remove nan values from peak region df=df.dropna(subset=[peakname]) # remove nan entries from peak # estimate initial Gaussian parameters from data if df.empty: # deal with prior failed background fits (no data in this region after dropna print('Gaussian fitting error for', elem, ' peak in file ', AugerFileName) fitparams=('n/a','n/a','n/a','n/a') # return all n/a rsquared='n/a' ier='n/a' return df, fitparams, rsquared, ier xc=df[peakname].idxmax() # estimate center based on peak max index xc=df.loc[xc]['Energy'] # associated energy value near center peakarea=df[peakname].sum() # decent area estimate y0=0 # params0=[xc,width,peakarea,y0] # initial params list (first guess at gaussian params) xcol=df['Energy'] ycol=df[peakname] # Counts1, Counts2 or whatever xcol=xcol.as_matrix() # convert both to numpy matrices ycol=ycol.as_matrix() # define standard gaussian funct (xc, width, area and yoffset are init params) gaussian=lambda params, x: params[3]+params[2]/(params[1]*np.sqrt(2*np.pi))*np.exp(-((x-params[0])**2/(2*params[1]**2))) # thisgauss= gaussian(params0,xcol) errfunc=lambda p, xcol, ycol: ycol- gaussian(p,xcol) # lambda error funct definition # sigma2FWHM = lambda sigma: sigma * sqrt(2 * log(2)) * 2 / sqrt(2) # convert Gaussian widths to FWHM? try: fitparams, cov, infodict, mesg, ier =optimize.leastsq(errfunc,params0,args=(xcol,ycol),full_output=True) ss_err=(infodict['fvec']**2).sum() ss_tot=((ycol-ycol.mean())**2).sum() rsquared=1-(ss_err/ss_tot) except: # fitting problem print('Gaussian fitting error for', elem, ' peak in file ', AugerFileName) fitparams=('n/a','n/a','n/a','n/a') # return all n/a rsquared='n/a' ier='n/a' return df, fitparams, rsquared, ier if addgauss==True: gaussname="Gauss"+str(areanum) df[gaussname]='' # add col for gaussian fit for index,row in df.iterrows(): xval=df.loc[index]['Energy'] yval=fitparams[3]+fitparams[2]/(fitparams[1]*np.sqrt(2*np.pi))*np.exp(-((xval-fitparams[0])**2/(2*fitparams[1]**2))) df.set_value(index,gaussname,yval) return df, fitparams, rsquared, ier ''' TESTING For background fit testing df=fitregion Augerfile=pd.read_csv('C2010W_18Nov15_12231225.csv') areanum=1 elem=Elemdata[1][0] fittype=Elemdata[1][1] integpeak=Elemdata[1][2] lower1=Elemdata[1][3] lower2=Elemdata[1][4] upper1=Elemdata[1][5] upper2=Elemdata[1][6] integwidth=Elemdata[0][8] if ier in [1,2,3,4]: print ('true') ''' def findintegparams(Augerfile, Elements, AESquantparams, Shifts): '''Grab integration width and expected counts peak position (also incorporates shift from deriv method)''' halfwidths=[] peakcenters=[] Energyvals = Augerfile.Energy # for finding index #s corresponding to energy vals for this spectrum for i, elem in enumerate(Elements): thiselem=AESquantparams[AESquantparams['Element']==elem] if len(thiselem)!=1: print('WARNING ... AES quant parameters not found for ', elem) halfwidths.append(4) # default integration width peakcenters.append('n/a') # return halfwidths, peakcenters halfwidths.append(int((thiselem.iloc[0]['integwidth']-1)/2)) # integration uses half-width on either side of center integpeakeV=thiselem.iloc[0]['negpeak']-thiselem.iloc[0]['integpeak']+Shifts[i] # shift of direct peak (defined relative to deriv peak) temptuple=min(enumerate(Energyvals), key=lambda x: abs(x[1]-integpeakeV)) # tuple with index of closest and closest value peakcenters.append(temptuple[0]) # first of tuple is closest index # return halfwidths, peakcenters def integpeaks(Augerfile, Backfitparams, areanum, Elements, Shifts, logmatch, AESquantparams): ''' Background fit for each direct peak, shift is list of energy shifts of negpeak (same order as Eledata (opens source spectrum as Augerfile, fits peak backgrounds above and below using Elemdata, saves background to source csv (overwrites existing fits), also saves linear fit params to logdataframe with position/amplitude/etc; desired elements out of data range are skipped (in prior findindices function) backfitparams is all elements but only this Augerfile ''' #create Smdifpeaks dataframe for temp storage of each peak's params Backfitparams=Backfitparams.dropna(subset=['Rval1']) # skip integration/Gaussian fit if background fit failed AugerFileName=logmatch.Filename # # Create temp df to hold and pass linear fit data mycols=['Filenumber', 'Filename', 'Filepath', 'Sample', 'Comments', 'Areanumber', 'Element', 'Integcounts', 'Backcounts', 'Significance', 'Xc', 'Width', 'Peakarea', 'Y0','Rsquared','Numchannels'] Integresults=pd.DataFrame(columns=mycols) # empty df for all integ results for elems in this spe file peakname='Peaks'+str(areanum) # this is counts - background (but only calculated in vicinity of known elemental peaks) backfitname='Backfit'+str(areanum) # global shifts from smdifpeaks and local shift based on smoothed 2nd derivative halfwidths, peakcenters=findintegparams(Augerfile, Elements, AESquantparams, Shifts) # loop through and fit all peaks for each element in this spatial area for i, elem in enumerate(Elements): if i not in Backfitparams.index: # skips integ calc if backfit is n/a continue thisbackfit=Backfitparams[Backfitparams['Element']==elem] if len(thisbackfit)!=1: print('Problem retrieving fit boundaries for ',elem, ' in ', AugerFileName) continue lower1=thisbackfit.iloc[0]['Lower1'] upper2=thisbackfit.iloc[0]['Upper2'] fitregion=Augerfile[lower1:upper2+1] if fitregion.empty==True: # skip if no data present (already should be skipped in Elemdata) print('No data present for ', elem, ' in ', AugerFileName) continue # also need accurate lower/upper bounds ... available from backfitparams Integresult=pd.DataFrame(index=np.arange(0,1),columns=mycols) # blank df row for this element # get integpeak, kfact, integwidth, siglevel # addgauss if save of gaussian peak fit in Augerfile is desired # Probably could skip Gaussian fitting entirely if peak is weak (check smdiff) fitregion, fitparams, rsquared, ier = fitgauss(fitregion, areanum, halfwidths[i], elem, AugerFileName, addgauss=True) addgauss=True # maybe pass this arg from elsewhere if addgauss==True and ier in [1,2,3,4]: # copy gaussian fit over to csv file if successful gaussname="Gauss"+str(areanum) if gaussname not in Augerfile.dtypes.index: # add col if not already present Augerfile[gaussname]='' # add col for gaussian fit # Copy gaussian fit to Augerfile... fitregion only modified in new Gauss peak fit column Augerfile.loc[fitregion.index,fitregion.columns]=fitregion # if gaussian fit is successful set center integration channel to index nearest xc # ier flag of 1,2,3,4 if fit succeeds but rsquared threshold is better if rsquared!='n/a': # skip integcounts calc but do put 'n/a' entries in df if rsquared>0.4: xc=fitparams[0] # center of gaussian fit center=int(round(xc,0)) tempdf=fitregion[fitregion['Energy']==center] try: centerindex=tempdf[peakname].idxmax() # corresponding index # of peak maximum except: print('Gaussian fit center out of data range for ', elem, ' in ', AugerFileName) # use center based on deriv shift and relative offset (index corresponding to integpeakeV) centerindex=peakcenters[i] # backup method of finding center of integration region else: # indication of poor Gaussian fit R2<0.4 (use prior knowledge of peak position) print('Failed gaussian fit for ', elem, ' in ', AugerFileName) # set center integration channel to value passed by integpeak # this is ideal energy value but adjusted by shift found using smooth-diff quant method centerindex=peakcenters[i] # already stores index number of central peak (ideal - sm-diff shift value) # Still do the counts integration for poor gaussian fits # perform integration over peak center channel + integwidth on either side Augerpeak=Augerfile[centerindex-halfwidths[i]:centerindex+halfwidths[i]+1] integcounts=Augerpeak[peakname].sum() # get counts sum backgroundcnts=Augerpeak[backfitname].sum() # sum counts over identical width in background fit # Used for peak significance i.e. typically 2 sigma of background integration over identical width # full integ width is 1.2*FWHM but integwidth here is closest integer half-width # Write fit params from tuple over to Integresult df Integresult.iloc[0]['Integcounts']=integcounts Integresult.iloc[0]['Backcounts']=backgroundcnts Integresult.iloc[0]['Significance']=round(integcounts/(np.sqrt(backgroundcnts)),3) # TODO add 2/sqrt(n) calc of associated percent error (also can calculate later) Integresult.iloc[0]['Numchannels']=halfwidths[i]*2+1 Integresult.iloc[0]['Rsquared']=rsquared Integresult.iloc[0]['Element']=elem # These will be n/a if fit fails Integresult.iloc[0]['Xc']=fitparams[0] Integresult.iloc[0]['Width']=fitparams[1] Integresult.iloc[0]['Peakarea']=fitparams[2] Integresult.iloc[0]['Y0']=fitparams[3] Integresults=Integresults.append(Integresult, ignore_index=True) # add row to list with valid # end of loop through each element # assign params that are common to all areas/all peaks into rows of df (copied from original log) for index,row in Integresults.iterrows(): Integresults.loc[index]['Filenumber']=logmatch.Filenumber Integresults.iloc[index]['Filename']=logmatch.Filename Integresults.iloc[index]['Filepath']=logmatch.FilePath Integresults.iloc[index]['Sample']=logmatch.Sample Integresults.iloc[index]['Comments']=logmatch.Comments Integresults.loc[index]['Areanumber']=areanum Integresults=Integresults[mycols] # put back in original order return Augerfile, Integresults # df with direct peak fitting info for all areas/ all elements ''' TESTING BACKGROUNDS elem, fittype, integpeak, lower1, lower2, upper1, upper2, kfact, integwidth, siglevel=Elemdata[5] ''' def fitlinregions(Augerfile, fitbounds, areanum, maxshift, elem, AugerFileName): '''Simultaneously deal with linear fits below and above peak of interest use residual/outlier detection to trim boundaries of linear fit regions (more robust than deriv threshold style return lower and upper slopes/intercepts background is either single linear fit or interpolated between the two ''' cntname='Smcounts'+str(areanum) # can use Counts or Smcounts ... maybe smcounts is better for background fit lowfitreg=Augerfile[fitbounds[0]:fitbounds[1]+1] # already tested for out-of-range in definefitreg upfitreg=Augerfile[fitbounds[2]:fitbounds[3]+1] # combine above and below regions (without possible added adjacent points) xdata=np.concatenate((lowfitreg['Energy'][maxshift:-maxshift].as_matrix(),upfitreg['Energy'][maxshift:-maxshift].as_matrix()),axis=0) ydata=np.concatenate((lowfitreg[cntname][maxshift:-maxshift].as_matrix(),upfitreg[cntname][maxshift:-maxshift].as_matrix()),axis=0) # linear fit over both background regions slope,intercept=np.polyfit(xdata, ydata, 1) # manually compute residuals over entire range xdata=np.concatenate((lowfitreg['Energy'].as_matrix(),upfitreg['Energy'].as_matrix()),axis=0) ydata=np.concatenate((lowfitreg[cntname].as_matrix(),upfitreg[cntname].as_matrix()),axis=0) yfit=slope*xdata+intercept resid=np.subtract(ydata,yfit) thresh=2*resid.std() # set threshold above which point is removed for having high residual backregs=pd.concat([lowfitreg,upfitreg]) # combine both regions backregs['Resid']=resid # paste in calculated residuals excludelist=[] # clunky way to remove extra backfit points from fit if they exceed threshold (indicating beginning of a peak) for index in range(int(lowfitreg.index.min()),int(lowfitreg.index.min())+maxshift): if backregs.loc[index]['Resid']>thresh: excludelist.append(index) else: break for index in range(int(lowfitreg.index.max()),int(lowfitreg.index.max())-maxshift,-1): if backregs.loc[index]['Resid']>thresh: excludelist.append(index) else: break for index in range(int(upfitreg.index.min()),int(upfitreg.index.min())+maxshift): if backregs.loc[index]['Resid']>thresh: excludelist.append(index) else: break for index in range(int(lowfitreg.index.max()),int(lowfitreg.index.max())-maxshift,-1): if backregs.loc[index]['Resid']>thresh: excludelist.append(index) else: break # Need to return modified lower1, lower2 ,upper1, upper2, lowrange, highrange make text string showing extent # now filter dataframe to remove any points indicating presence of peak thismask=lowfitreg.index.isin(excludelist) lowfitreg=lowfitreg.loc[~thismask] thismask=upfitreg.index.isin(excludelist) upfitreg=upfitreg.loc[~thismask] fitbounds=[lowfitreg.index.min(), lowfitreg.index.max(),upfitreg.index.min(), upfitreg.index.max()] # return list of refined boundaries energybounds=[lowfitreg.Energy.min(), lowfitreg.Energy.max(),upfitreg.Energy.min(), upfitreg.Energy.max()] thismask=backregs.index.isin(excludelist) # backregs=backregs.loc[~thismask] # now remove temporary residuals column backregs=backregs.drop('Resid', axis=1, inplace=False) # Now can refit using expanded data range backfitname='Backfit'+str(areanum) xcol=backregs['Energy'] ycol=backregs[cntname] # Counts1, Counts2 or Smcounts1, 2 whatever try: slope, intercept, r_value, p_value, std_err = scipy.stats.linregress(xcol, ycol) except: # deal with common problems with linregress print('Fitting error for', elem, ' in file ', AugerFileName) fitparams=('n/a','n/a','n/a','n/a','n/a') # return all n/a return backregs, fitparams, fitbounds, energybounds # return the dataframe unmodified fitparams=(slope, intercept, r_value, p_value, std_err) # tuple to return fitting results for index,row in backregs.iterrows(): xval=backregs.loc[index]['Energy'] yval=slope * xval + intercept backregs=backregs.set_value(index, backfitname, yval) # fitbounds is index # boundaries of lower and upper fits (list of 4) # energy bounds is energy range over which background was fitted return backregs, fitparams, fitbounds, energybounds def definefitreg(bound1, bound2, maxshift, Augerfile, evbreaks): ''' Widen fit region from standard size (based on allowed maxshift) and ensure that multiplex evbreaks are not included in the region also make sure one doesn't go into region with no data''' lowbound=bound1 for i in range(bound1, bound1-maxshift-1, -1): # lower by allowed shift but ensure not at data boundary if i not in evbreaks and i in Augerfile.index: # also ensure we don't exit boundaries of dataset here lowbound=i else: break upbound=bound2 for i in range(bound2, bound2+maxshift+1): # lower by allowed shift but ensure not at data boundary if i not in evbreaks and i in Augerfile.index: upbound=i else: break return lowbound, upbound # this is range of Auger slice that'll be used def fitbackgrounds(Augerfile, areanum, Elements, Shifts, AESquantparams, logmatch): ''' takes element strings and element list and returns tuple for each elem symbol containing all params necessary to find each Auger peak from given spe file tuple for integ peak is symbol, ideal peak index #, and integ kfactor''' # integpeak is position of direct peak relative to ideal negative peak in smooth-diff S7D7 # lower1,lower2 and upper1,upper2 are boundaries of lower and higher energy linear backgroundfit (again energies relative to negpeak) # Incorporate shifting of background fit regions into this section from ideal position based on savgol deriv Energyvals = Augerfile.Energy # evbreaks=logmatch.Evbreaks # needed to ensure fit boundaries don't cross into adjacent element tempstring=evbreaks.split('[')[1] # remove brackets from list tempstring=tempstring.split(']')[0] evbreaks=[int(s) for s in tempstring.split(',')] # convert string to list of break index values AugerFileName=logmatch.Filename # mycols=['Filenumber', 'Filename', 'Filepath', 'Sample', 'Comments', 'Date', 'Areanumber', 'Element', 'Lower1', 'Lower2', 'Upper1', 'Upper2', 'Lowrange','Highrange','Peakshift', 'Fittype', 'P1','P2','P3','P4','Rval1', 'Pval1', 'Stderr1','Rval2', 'Pval2', 'Stderr2'] Backfitparams=pd.DataFrame(columns=mycols) # empty df for i, elem in enumerate(Elements): # find row in AESquantparams for this element thiselemdata=AESquantparams[(AESquantparams['element']==elem)] thiselemdata=thiselemdata.squeeze() # series with this elements params thisshift=Shifts[i] # shift in eV/index # corresponding to this peak from prior smdif quant if thisshift=='n/a': # peak not in smdifpeakslog ... usually data out of range thisshift=0 # just set shift to zero to avoid problems # integ peak position value is relative to negpeak in smooth-diff (i.e. -5 is 5 eV below ideal negpeak) integpeakev=thiselemdata.negpeak + thiselemdata.integpeak # ideal energy value of negative Auger peak in smooth-diff spectrum lower1ev=thiselemdata.negpeak + thiselemdata.lower1 + thisshift # lower bound of lower energy fit region lower2ev=thiselemdata.negpeak + thiselemdata.lower2 + thisshift # upper bound of lower energy fit region upper1ev=thiselemdata.negpeak + thiselemdata.upper1 + thisshift # lower bound of higher energy fit region upper2ev=thiselemdata.negpeak + thiselemdata.upper2 + thisshift # upper bound of higher energy fit region # width=int(thiselemdata.searchwidth) # search width used to find actual peak in real data # find index # for ideal neg and pos peaks... use lambda funct. # min(Energyvals, key=lambda x:abs(x-negpeakev)) gives value but not index # # convert each energy value into index # (global shift already applied) temptuple=min(enumerate(Energyvals), key=lambda x: abs(x[1]-integpeakev)) # tuple with index of closest and closest value integpeak=temptuple[0] # first of tuple is index # peakinrange=temptuple[1]-integpeakev # should be ~0 if desired peak is in data range if abs(peakinrange)>0.5: # Must skip entire desired element here if it's out of range of the data in this particular spe print(elem,' is out of data range for ', AugerFileName) continue fitbounds=[] temptuple=min(enumerate(Energyvals), key=lambda x: abs(x[1]-lower1ev)) # tuple with index of closest and closest value fitbounds.append(temptuple[0]) # first of tuple is index # temptuple=min(enumerate(Energyvals), key=lambda x: abs(x[1]-lower2ev)) # tuple with index of closest and closest value fitbounds.append(temptuple[0]) # first of tuple is index # temptuple=min(enumerate(Energyvals), key=lambda x: abs(x[1]-upper1ev)) # tuple with index of closest and closest value fitbounds.append(temptuple[0]) # first of tuple is index # temptuple=min(enumerate(Energyvals), key=lambda x: abs(x[1]-upper2ev)) # tuple with index of closest and closest value fitbounds.append(temptuple[0]) # first of tuple is index # maxshift=int(thiselemdata.peakshift) # get allowed max energy shift in channels (normally 1eV/chan) fittype=thiselemdata.fittype # default type of peak fit for given element if fittype=='line': fitbounds[0], fitbounds[1]= definefitreg(fitbounds[0], fitbounds[1], maxshift, Augerfile, evbreaks) # bounds for lower fit region fitbounds[2], fitbounds[3]= definefitreg(fitbounds[2], fitbounds[3], maxshift, Augerfile, evbreaks) # bounds for upper fit region # return fitpeakdf (new background fits), fitparams (slope,intercept, point fit range), R2 val (for tossing vals) # Since linear fit may span both, pass both regions and deal with them simultaneously fitpeak, fitparams, fitbounds, energybounds=fitlinregions(Augerfile, fitbounds, areanum, maxshift, elem, AugerFileName) if fitparams[2]!='n/a': # holds R2 value and skip for failed fits Augerfile.loc[fitpeak.index,fitpeak.columns]=fitpeak # Copy/save to original file # Need to generate values for actual peak region from single linear fit thispeak=Augerfile[fitbounds[1]:fitbounds[2]] # parse to get actual determined peak region thispeak=makelinebackground(thispeak, areanum, fitparams) Augerfile.loc[thispeak.index,thispeak.columns]=thispeak # copy peak region to source data file elif fittype=='Ca': # special treatment # find relative minimum if present between C falling edge and Ca peak smcountname='Smcounts'+str(areanum) minindex=Augerfile[fitbounds[0]:fitbounds[0]+10][smcountname].idxmin() # index value of min left of Ca peak (counts or smoothed counts) # minval=Augerfile[lower1:lower1+10][countname].min() # maxindex=Augerfile[integpeak-5:integpeak+5][countname].idxmax() # Ca peak index if present # maxval=Augerfile[integpeak-5:integpeak+5][countname].max() # polynomial fit over two pts at relative min left of peak and small region right of peak thispeak=pd.concat([Augerfile[minindex-1:minindex+1],Augerfile[integpeak+10:integpeak+15]]) # Grab several points on low energy side, 2-3 pts lowevrange=str(round(Augerfile[minindex-1:minindex+1]['Energy'].min(),0))+'-'+ str(round(Augerfile[minindex-1:minindex+1]['Energy'].min(),0)) # Get a few more at upper energy end upperevrange=str(round(Augerfile[integpeak+10:integpeak+15]['Energy'].min(),0))+'-'+ str(round(Augerfile[integpeak+10:integpeak+15]['Energy'].max(),0)) thispeak, fitparams, R2 =fitCapeak(thispeak, areanum, elem, AugerFileName) # polynomial fit if R2!='n/a': # only copy successful fits (skip n/a) Augerfile.loc[thispeak.index,thispeak.columns]=thispeak # copy over to full spe file thispeak=Augerfile[minindex+1:integpeak+11] # actual peak region thispeak = makeCabackground(thispeak, areanum, fitparams) # now fill peak region with 2nd order poly background Augerfile.loc[thispeak.index,thispeak.columns]=thispeak # copy peak region to source data file # Make subtracted peak countname='Counts'+str(areanum) peakname='Peaks'+str(areanum) backfitname='Backfit'+str(areanum) for index in range(fitbounds[1],fitbounds[2]): Augerfile.set_value(index, peakname, Augerfile.loc[index][countname]-Augerfile.loc[index][backfitname]) else: print('Need to write fitting functions for fittype', fittype) continue # next in loop to avoid errors below # Make subtracted peak countname='Counts'+str(areanum) peakname='Peaks'+str(areanum) backfitname='Backfit'+str(areanum) for index in range(fitbounds[1],fitbounds[2]): Augerfile.set_value(index, peakname, Augerfile.loc[index][countname]-Augerfile.loc[index][backfitname]) # Integration # create single-rowed dataframe for backfitparams of this element (out-of-range data already skipped) Backfitparamrow=pd.DataFrame(index=np.arange(0,1),columns=mycols) # transfer common parameters Backfitparamrow.iloc[0]['Areanumber']=areanum Backfitparamrow.iloc[0]['Element']=elem Backfitparamrow.iloc[0]['Peakshift']=Shifts[i] # shift of this elem's peak based on derivative method Backfitparamrow.iloc[0]['Filenumber']=logmatch.Filenumber Backfitparamrow.iloc[0]['Filename']=logmatch.Filename Backfitparamrow.iloc[0]['Filepath']=logmatch.FilePath Backfitparamrow.iloc[0]['Sample']=logmatch.Sample Backfitparamrow.iloc[0]['Comments']=logmatch.Comments Backfitparamrow.iloc[0]['Date']=logmatch.Date Backfitparamrow.iloc[0]['Fittype']=fittype # string with type of background fit to attempt if fittype=='line': Backfitparamrow.iloc[0]['Lower1']=fitbounds[0] # save boundaries of fit regions Backfitparamrow.iloc[0]['Lower2']=fitbounds[1] Backfitparamrow.iloc[0]['Upper1']=fitbounds[2] Backfitparamrow.iloc[0]['Upper2']=fitbounds[3] Backfitparamrow.iloc[0]['Lowrange']=str(energybounds[0])+'-'+str(energybounds[1]) # string with lower fitted eV range Backfitparamrow.iloc[0]['Highrange']=str(energybounds[2])+'-'+str(energybounds[3])# string with upper fitted eV range Backfitparamrow.iloc[0]['P1']=fitparams[0] # slope for single fit Backfitparamrow.iloc[0]['P2']=fitparams[1] # intercept for single fit Backfitparamrow.iloc[0]['Rval1']=fitparams[2] Backfitparamrow.iloc[0]['Pval1']=fitparams[3] Backfitparamrow.iloc[0]['Stderr1']=fitparams[4] if fittype=='Ca': # copy from lowerfitparams to log df Backfitparamrow.iloc[0]['Lowrange']=lowevrange Backfitparamrow.iloc[0]['Highrange']=upperevrange Backfitparamrow.iloc[0]['P1']=fitparams[0] # A*x2 coeff Backfitparamrow.iloc[0]['P2']=fitparams[1] # B*x coeff Backfitparamrow.iloc[0]['P3']=fitparams[2] # C coeff Backfitparamrow.iloc[0]['Rval1']=R2 Backfitparams=Backfitparams.append(Backfitparamrow) Backfitparams=Backfitparams[mycols] return Augerfile, Backfitparams def findfitregions(Augerfile, areanum, Elements, Shifts, AESquantparams, logmatch): ''' takes element strings and element list and returns tuple for each elem symbol containing all params necessary to find each Auger peak from given spe file tuple for integ peak is symbol, ideal peak index #, and integ kfactor''' # integpeak is position of direct peak relative to ideal negative peak in smooth-diff S7D7 # lower1,lower2 and upper1,upper2 are boundaries of lower and higher energy linear backgroundfit (again energies relative to negpeak) # Incorporate shifting of background fit regions into this section from ideal position based on savgol deriv Elemdata=[] # returns list of length5 tuples for all elements Energyvals = Augerfile.Energy # evbreaks=logmatch.Evbreaks # needed to ensure fit boundaries don't cross into adjacent element tempstring=evbreaks.split('[')[1] # remove brackets from list tempstring=tempstring.split(']')[0] evbreaks=[int(s) for s in tempstring.split(',')] # convert string to list of break index values for i, elem in enumerate(Elements): # find row in AESquantparams for this element thiselemdata=AESquantparams[(AESquantparams['element']==elem)] thiselemdata=thiselemdata.squeeze() # series with this elements params thisshift=Shifts[i] # shift in eV/index # corresponding to this peak from prior smdif quant if thisshift=='n/a': # peak not in smdifpeakslog ... usually data out of range thisshift=0 # just set shift to zero to avoid problems # integ peak position value is relative to negpeak in smooth-diff (i.e. -5 is 5 eV below ideal negpeak) integpeakev=thiselemdata.negpeak + thiselemdata.integpeak # ideal energy value of negative Auger peak in smooth-diff spectrum lower1ev=thiselemdata.negpeak + thiselemdata.lower1 + thisshift # lower bound of lower energy fit region lower2ev=thiselemdata.negpeak + thiselemdata.lower2 + thisshift # upper bound of lower energy fit region upper1ev=thiselemdata.negpeak + thiselemdata.upper1 + thisshift # lower bound of higher energy fit region upper2ev=thiselemdata.negpeak + thiselemdata.upper2 + thisshift # upper bound of higher energy fit region # width=int(thiselemdata.searchwidth) # search width used to find actual peak in real data # find index # for ideal neg and pos peaks... use lambda funct. # min(Energyvals, key=lambda x:abs(x-negpeakev)) gives value but not index # # convert each energy value into index # (global shift already applied) temptuple=min(enumerate(Energyvals), key=lambda x: abs(x[1]-integpeakev)) # tuple with index of closest and closest value integpeak=temptuple[0] # first of tuple is index # peakinrange=temptuple[1]-integpeakev # should be ~0 if desired peak is in data range if abs(peakinrange)<1: # Must skip entire desired element here if it's out of range of the data in this particular spe temptuple=min(enumerate(Energyvals), key=lambda x: abs(x[1]-lower1ev)) # tuple with index of closest and closest value lower1=temptuple[0] # first of tuple is index # temptuple=min(enumerate(Energyvals), key=lambda x: abs(x[1]-lower2ev)) # tuple with index of closest and closest value lower2=temptuple[0] # first of tuple is index # temptuple=min(enumerate(Energyvals), key=lambda x: abs(x[1]-upper1ev)) # tuple with index of closest and closest value upper1=temptuple[0] # first of tuple is index # temptuple=min(enumerate(Energyvals), key=lambda x: abs(x[1]-upper2ev)) # tuple with index of closest and closest value upper2=temptuple[0] # first of tuple is index # shift=int(thiselemdata.peakshift) # get allowed max energy shift in channels (normally 1eV/chan) tempparams =(lower1, lower2, upper1, upper2, shift) # # Now call for adjustment of lower1,2 and upper 1,2 based on savgol column (single spe, single area, single elem region) fitlimits = modfitreg(Augerfile, areanum, tempparams, evbreaks) kfact=thiselemdata.kfactor2 # typical sensitivity k-factor associated with element for integration siglevel=thiselemdata.siglevel # element dependent threshold for significance (# sigmas above background) integwidth=int((thiselemdata.integwidth-1)/2) # integration width in channels for direct integration for this element # total # of channels in AESquantparams but include n-1/2 channels on either side of peak center fittype=thiselemdata.fittype # default type of peak fit for given element #Elemdata is a list (of length number of elements) containing length5 tuples elemtuple=(elem, fittype, integpeak, fitlimits[0], fitlimits[1], fitlimits[2], fitlimits[3], kfact, integwidth, siglevel) # add tuple with info for this element Elemdata.append(elemtuple) # now contains proper limits on fitting regions else: AugerFileName=logmatch.Filename # logmatch is series print('Warning: No quant for ',elem,' for ',AugerFileName, 'data not collected in this energy range.') return Elemdata def findpeakshifts(logmatch, areanum, Smdifpeakslog, Elements): ''' Find shifts of negpeak positions for each element in list for single spe file, return as list of floats pass series with filename and given area ''' # TODO problem if len(Elements)!=len(Shifts) due to couldn't find peak error filename=logmatch.Filename # get number from Series thispeakslog= Smdifpeakslog[(Smdifpeakslog['Filename']==filename)&(Smdifpeakslog['Areanumber']==areanum)] # need to match area number and file number for finding unique shift for this elem Shifts=[] # shift in peak position suggested by smdiff quant method for i, elem in enumerate(Elements): thiselem= thispeakslog[(thispeakslog['PeakID']==elem)] if len(thiselem)!=1: # peaks not present should have already been removed print ("Couldn't find ", elem, " peak for area", str(areanum),"of spectrum ", filename) Shifts.append('n/a') # keeps len(Elements)== len(Shifts) if len(thiselem)==1: # should be match for all peaks that are present shift=thiselem.iloc[0]['Shift'] Shifts.append(shift) return Shifts # list of energy shift relative to ideal negpeak for each elemental peak def makesavgol(df, areanum, evbreaks): '''Perform python smooth-diff used to guide selection of background regions perform this in chunks between evbreaks (list), works for survey or multiplex, adds col to Augerfile and returns evbreaks is list of index #s ''' countsname='Counts'+str(areanum) # add savgol column (only called if not present) savgolname='Savgol'+str(areanum) df[savgolname]=0.0 # add/initialize col for 2nd deriv Sav-gol # Add 1 to last region boundary to avoid data truncation problem evbreaks[-1]=evbreaks[-1]+1 for i in range(1,len(evbreaks)): # region 1 to nth region thisreg=df.loc[evbreaks[i-1]:evbreaks[i]-1] # slice into separate multiplex regions and process separately thisreg=thisreg[countsname] # convert to Series (keep these index) myarr=np.asarray(thisreg) # convert to numpy array window_size=11 deriv=2 order=2 # order of savgol fit rate=1 order_range = range(order+1) # range object half_window = (window_size -1) // 2 # type int # precompute coefficients b = np.mat([[k**i for i in order_range] for k in range(-half_window, half_window+1)]) # b is matrix 3 by window size m = np.linalg.pinv(b).A[deriv] * rate**deriv * factorial(deriv) # series as long as array # linalg.pinv gets pseudo-inverse of a matrix (window-sized series) # .A of any matrix returns it as ndarray object # Pad the signal at the extremes with values taken from the signal itself firstvals = myarr[0] - np.abs(myarr[1:half_window+1][::-1] - myarr[0] ) lastvals = myarr[-1] + np.abs(myarr[-half_window-1:-1][::-1] - myarr[-1]) myarr= np.concatenate((firstvals, myarr, lastvals)) # Now convolve input signal and sav-gol processing 1D array .. thisreg is numpy array w/ savgol results myarr=np.convolve( myarr, m[::-1], mode='valid') thisreg.loc[evbreaks[i-1]:evbreaks[i]-1]=myarr # copies numpy array but keeps same indices # for loop endpoint is 1 off from df indexing (due to different inclusion rules for last point of range) for index in range(evbreaks[i-1],evbreaks[i]): df.set_value(index,savgolname,thisreg.loc[index]) # copy vals from series into entire spe df return df # returns savitsky-golay smooth diff over same full region def integbatchquant(spelist, Smdifpeakslog, AESquantparams, Elements, overwrite=True): ''' Batch quantification of all peaks in Elements list and noise amplitude at all chosen background regions (Backregs) returns df with peak positions, amplitudes, width, energy shift, etc. ''' # create empty dataframe for storing/passing linear fit params (same structure as in fitbackgrounds) mycols=['Filenumber', 'Filename', 'Filepath', 'Sample', 'Comments', 'Date', 'Areanumber', 'Element', 'Lower1', 'Lower2', 'Upper1', 'Upper2', 'Lowrange','Highrange','Peakshift', 'Fittype', 'P1','P2','P3','P4','Rval1', 'Pval1', 'Stderr1','Rval2', 'Pval2', 'Stderr2'] Linearfitlog=pd.DataFrame(columns=mycols) # TODO set up log for integration results Integquantlog=pd.DataFrame(columns=['Filenumber', 'Filename', 'Filepath', 'Sample', 'Comments', 'Areanumber', 'Element', 'Integcounts', 'Backcounts', 'Significance', 'Xc', 'Width', 'Peakarea', 'Y0','Rsquared','Numchannels']) for i in range(0,len(spelist)): # get ith row from parameters log for subset of selected spe files (i.e. from spelist) logmatch=spelist.iloc[i] #contains row with filename and all other parameters from a given spectra logmatch=logmatch.squeeze() # convert/flatten to Series numareas=int(logmatch.Areas) # get # of spatial areas for this spe # load Auger spe file of interest here AugerFileName=logmatch.Filename # get Auger filename from Series Augerfile=pd.read_csv(AugerFileName) # read entire spectra into df # now loop through any areas within this spectrum (typically only 1 area) for areanum in range(1,numareas+1): # loop over each separate area in spe # Now check to ensure this Augerfile has all necessary columns for this area # print('Processing area ', areanum) TESTING colname='Counts'+str(areanum) if colname not in Augerfile: print(colname, ' not present in file ', AugerFileName) continue # skip to next area backfitname='Backfit'+str(areanum) if backfitname not in Augerfile: # add this background fit column if not present Augerfile[backfitname]=np.nan if overwrite==True: # clear all prior background regions Augerfile[backfitname]=np.nan savgolname='Savgol'+str(areanum) # Sav-gol 2nd deriv column used to guide selection of fitting regions if savgolname not in Augerfile: # returns df with this Savgol column added evbreaks=logmatch.Evbreaks # needed for possible savgol smooth-diff tempstring=evbreaks.split('[')[1] # remove brackets from list tempstring=tempstring.split(']')[0] evbreaks=[int(s) for s in tempstring.split(',')] # convert string to list of break index values Augerfile=makesavgol(Augerfile, areanum, evbreaks) # FUNCT pass full spectrum for given area (saved below) peakname='Peaks'+str(areanum) if peakname not in Augerfile: # add col for subtracted peak data Augerfile[peakname]=np.nan # Get list of negpeak shift for these elements (from Shift column of Smdifpeakslog) Shifts=findpeakshifts(logmatch, areanum, Smdifpeakslog, Elements) # single shift val in eV for each elem # Each area has its own Elemdata (selected background fit regions) # Elemdata=findfitregions(Augerfile, areanum, Elements, Shifts, AESquantparams, logmatch) Augerfile, Backfitparams=fitbackgrounds(Augerfile, areanum, Elements, Shifts, AESquantparams, logmatch) # Linear background fits above and below plus interpolation between # All params from linear fits of pre-peak and post-peak background stored in Backfitparams # Peak gaussian fitting and integration subroutine Augerfile, Integresults=integpeaks(Augerfile, Backfitparams, areanum, Elements, Shifts, logmatch, AESquantparams) # append linear fit result from this spe/this area to longer master list Linearfitlog=Linearfitlog.append(Backfitparams, ignore_index=True) Integquantlog=Integquantlog.append(Integresults, ignore_index=True) # direct save of modified auger csv with new linear background fits (after all areas processed) Augerfile.to_csv(AugerFileName, index=False) Linearfitlog=Linearfitlog[mycols] # put back in original order return Linearfitlog, Integquantlog
tkcroat/Augerquant
Development/Auger_integquant_functions_13Nov16.py
Python
mit
64,741
[ "Gaussian" ]
ba5324fb257cb2c735836c990cfb30c4dc9669089c56e6f360a807e21de5a1f9
# Copyright 2014-2020 The PySCF Developers. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import unittest import numpy import numpy as np from pyscf import lib from pyscf.pbc import gto as pgto import pyscf.pbc.dft as pdft from pyscf.pbc.df import fft, aft, mdf ################################################## # # port from ao2mo/eris.py # ################################################## from pyscf import lib from pyscf.pbc import lib as pbclib from pyscf.pbc.dft.gen_grid import gen_uniform_grids from pyscf.pbc.dft.numint import eval_ao from pyscf.pbc import tools einsum = np.einsum r""" (ij|kl) = \int dr1 dr2 i*(r1) j(r1) v(r12) k*(r2) l(r2) = (ij|G) v(G) (G|kl) i*(r) j(r) = 1/N \sum_G e^{iGr} (G|ij) = 1/N \sum_G e^{-iGr} (ij|G) "forward" FFT: (G|ij) = \sum_r e^{-iGr} i*(r) j(r) = fft[ i*(r) j(r) ] "inverse" FFT: (ij|G) = \sum_r e^{iGr} i*(r) j(r) = N * ifft[ i*(r) j(r) ] = conj[ \sum_r e^{-iGr} j*(r) i(r) ] """ def general(cell, mo_coeffs, kpts=None, compact=0): '''pyscf-style wrapper to get MO 2-el integrals.''' assert len(mo_coeffs) == 4 if kpts is not None: assert len(kpts) == 4 return get_mo_eri(cell, mo_coeffs, kpts) def get_mo_eri(cell, mo_coeffs, kpts=None): '''Convenience function to return MO 2-el integrals.''' mo_coeff12 = mo_coeffs[:2] mo_coeff34 = mo_coeffs[2:] if kpts is None: kpts12 = kpts34 = q = None else: kpts12 = kpts[:2] kpts34 = kpts[2:] q = kpts12[0] - kpts12[1] #q = kpts34[1] - kpts34[0] if q is None: q = np.zeros(3) mo_pairs12_kG = get_mo_pairs_G(cell, mo_coeff12, kpts12) mo_pairs34_invkG = get_mo_pairs_invG(cell, mo_coeff34, kpts34, q) return assemble_eri(cell, mo_pairs12_kG, mo_pairs34_invkG, q) def get_mo_pairs_G(cell, mo_coeffs, kpts=None, q=None): '''Calculate forward (G|ij) FFT of all MO pairs. TODO: - Implement simplifications for real orbitals. Args: mo_coeff: length-2 list of (nao,nmo) ndarrays The two sets of MO coefficients to use in calculating the product |ij). Returns: mo_pairs_G : (ngrids, nmoi*nmoj) ndarray The FFT of the real-space MO pairs. ''' coords = gen_uniform_grids(cell) if kpts is None: q = np.zeros(3) aoR = eval_ao(cell, coords) ngrids = aoR.shape[0] if np.array_equal(mo_coeffs[0], mo_coeffs[1]): nmoi = nmoj = mo_coeffs[0].shape[1] moiR = mojR = einsum('ri,ia->ra', aoR, mo_coeffs[0]) else: nmoi = mo_coeffs[0].shape[1] nmoj = mo_coeffs[1].shape[1] moiR = einsum('ri,ia->ra', aoR, mo_coeffs[0]) mojR = einsum('ri,ia->ra', aoR, mo_coeffs[1]) else: if q is None: q = kpts[1]-kpts[0] aoR_ki = eval_ao(cell, coords, kpt=kpts[0]) aoR_kj = eval_ao(cell, coords, kpt=kpts[1]) ngrids = aoR_ki.shape[0] nmoi = mo_coeffs[0].shape[1] nmoj = mo_coeffs[1].shape[1] moiR = einsum('ri,ia->ra', aoR_ki, mo_coeffs[0]) mojR = einsum('ri,ia->ra', aoR_kj, mo_coeffs[1]) #mo_pairs_R = einsum('ri,rj->rij', np.conj(moiR), mojR) mo_pairs_G = np.zeros([ngrids,nmoi*nmoj], np.complex128) fac = np.exp(-1j*np.dot(coords, q)) for i in range(nmoi): for j in range(nmoj): mo_pairs_R_ij = np.conj(moiR[:,i])*mojR[:,j] mo_pairs_G[:,i*nmoj+j] = tools.fftk(mo_pairs_R_ij, cell.mesh, fac) return mo_pairs_G def get_mo_pairs_invG(cell, mo_coeffs, kpts=None, q=None): '''Calculate "inverse" (ij|G) FFT of all MO pairs. TODO: - Implement simplifications for real orbitals. Args: mo_coeff: length-2 list of (nao,nmo) ndarrays The two sets of MO coefficients to use in calculating the product |ij). Returns: mo_pairs_invG : (ngrids, nmoi*nmoj) ndarray The inverse FFTs of the real-space MO pairs. ''' coords = gen_uniform_grids(cell) if kpts is None: q = np.zeros(3) aoR = eval_ao(cell, coords) ngrids = aoR.shape[0] if np.array_equal(mo_coeffs[0], mo_coeffs[1]): nmoi = nmoj = mo_coeffs[0].shape[1] moiR = mojR = einsum('ri,ia->ra', aoR, mo_coeffs[0]) else: nmoi = mo_coeffs[0].shape[1] nmoj = mo_coeffs[1].shape[1] moiR = einsum('ri,ia->ra', aoR, mo_coeffs[0]) mojR = einsum('ri,ia->ra', aoR, mo_coeffs[1]) else: if q is None: q = kpts[1]-kpts[0] aoR_ki = eval_ao(cell, coords, kpt=kpts[0]) aoR_kj = eval_ao(cell, coords, kpt=kpts[1]) ngrids = aoR_ki.shape[0] nmoi = mo_coeffs[0].shape[1] nmoj = mo_coeffs[1].shape[1] moiR = einsum('ri,ia->ra', aoR_ki, mo_coeffs[0]) mojR = einsum('ri,ia->ra', aoR_kj, mo_coeffs[1]) #mo_pairs_R = einsum('ri,rj->rij', np.conj(moiR), mojR) mo_pairs_invG = np.zeros([ngrids,nmoi*nmoj], np.complex128) fac = np.exp(1j*np.dot(coords, q)) for i in range(nmoi): for j in range(nmoj): mo_pairs_R_ij = np.conj(moiR[:,i])*mojR[:,j] mo_pairs_invG[:,i*nmoj+j] = np.conj(tools.fftk(np.conj(mo_pairs_R_ij), cell.mesh, fac)) return mo_pairs_invG def get_mo_pairs_G_old(cell, mo_coeffs, kpts=None, q=None): '''Calculate forward (G|ij) and "inverse" (ij|G) FFT of all MO pairs. TODO: - Implement simplifications for real orbitals. Args: mo_coeff: length-2 list of (nao,nmo) ndarrays The two sets of MO coefficients to use in calculating the product |ij). Returns: mo_pairs_G, mo_pairs_invG : (ngrids, nmoi*nmoj) ndarray The FFTs of the real-space MO pairs. ''' coords = gen_uniform_grids(cell) if kpts is None: q = np.zeros(3) aoR = eval_ao(cell, coords) ngrids = aoR.shape[0] if np.array_equal(mo_coeffs[0], mo_coeffs[1]): nmoi = nmoj = mo_coeffs[0].shape[1] moiR = mojR = einsum('ri,ia->ra', aoR, mo_coeffs[0]) else: nmoi = mo_coeffs[0].shape[1] nmoj = mo_coeffs[1].shape[1] moiR = einsum('ri,ia->ra', aoR, mo_coeffs[0]) mojR = einsum('ri,ia->ra', aoR, mo_coeffs[1]) else: if q is None: q = kpts[1]-kpts[0] aoR_ki = eval_ao(cell, coords, kpt=kpts[0]) aoR_kj = eval_ao(cell, coords, kpt=kpts[1]) ngrids = aoR_ki.shape[0] nmoi = mo_coeffs[0].shape[1] nmoj = mo_coeffs[1].shape[1] moiR = einsum('ri,ia->ra', aoR_ki, mo_coeffs[0]) mojR = einsum('ri,ia->ra', aoR_kj, mo_coeffs[1]) mo_pairs_R = np.einsum('ri,rj->rij', np.conj(moiR), mojR) mo_pairs_G = np.zeros([ngrids,nmoi*nmoj], np.complex128) mo_pairs_invG = np.zeros([ngrids,nmoi*nmoj], np.complex128) fac = np.exp(-1j*np.dot(coords, q)) for i in range(nmoi): for j in range(nmoj): mo_pairs_G[:,i*nmoj+j] = tools.fftk(mo_pairs_R[:,i,j], cell.mesh, fac) mo_pairs_invG[:,i*nmoj+j] = np.conj(tools.fftk(np.conj(mo_pairs_R[:,i,j]), cell.mesh, fac.conj())) return mo_pairs_G, mo_pairs_invG def assemble_eri(cell, orb_pair_invG1, orb_pair_G2, q=None): '''Assemble 4-index electron repulsion integrals. Returns: (nmo1*nmo2, nmo3*nmo4) ndarray ''' if q is None: q = np.zeros(3) coulqG = tools.get_coulG(cell, -1.0*q) ngrids = orb_pair_invG1.shape[0] Jorb_pair_G2 = np.einsum('g,gn->gn',coulqG,orb_pair_G2)*(cell.vol/ngrids**2) eri = np.dot(orb_pair_invG1.T, Jorb_pair_G2) return eri def get_ao_pairs_G(cell, kpt=np.zeros(3)): '''Calculate forward (G|ij) and "inverse" (ij|G) FFT of all AO pairs. Args: cell : instance of :class:`Cell` Returns: ao_pairs_G, ao_pairs_invG : (ngrids, nao*(nao+1)/2) ndarray The FFTs of the real-space AO pairs. ''' coords = gen_uniform_grids(cell) aoR = eval_ao(cell, coords, kpt) # shape = (coords, nao) ngrids, nao = aoR.shape gamma_point = abs(kpt).sum() < 1e-9 if gamma_point: npair = nao*(nao+1)//2 ao_pairs_G = np.empty([ngrids, npair], np.complex128) ij = 0 for i in range(nao): for j in range(i+1): ao_ij_R = np.conj(aoR[:,i]) * aoR[:,j] ao_pairs_G[:,ij] = tools.fft(ao_ij_R, cell.mesh) #ao_pairs_invG[:,ij] = ngrids*tools.ifft(ao_ij_R, cell.mesh) ij += 1 ao_pairs_invG = ao_pairs_G.conj() else: ao_pairs_G = np.zeros([ngrids, nao,nao], np.complex128) for i in range(nao): for j in range(nao): ao_ij_R = np.conj(aoR[:,i]) * aoR[:,j] ao_pairs_G[:,i,j] = tools.fft(ao_ij_R, cell.mesh) ao_pairs_invG = ao_pairs_G.transpose(0,2,1).conj().reshape(-1,nao**2) ao_pairs_G = ao_pairs_G.reshape(-1,nao**2) return ao_pairs_G, ao_pairs_invG def get_ao_eri(cell, kpt=np.zeros(3)): '''Convenience function to return AO 2-el integrals.''' ao_pairs_G, ao_pairs_invG = get_ao_pairs_G(cell, kpt) eri = assemble_eri(cell, ao_pairs_invG, ao_pairs_G) if abs(kpt).sum() < 1e-9: eri = eri.real return eri ################################################## # # ao2mo/eris.py end # ################################################## cell = pgto.Cell() cell.atom = 'He 1. .5 .5; C .1 1.3 2.1' cell.basis = {'He': [(0, (2.5, 1)), (0, (1., 1))], 'C' :'gth-szv',} cell.pseudo = {'C':'gth-pade'} cell.a = np.eye(3) * 2.5 cell.mesh = [21] * 3 cell.build() np.random.seed(1) kpts = np.random.random((4,3)) kpts[3] = kpts[0]-kpts[1]+kpts[2] kpt0 = np.zeros(3) cell1 = pgto.Cell() cell1.atom = 'He 1. .5 .5; He .1 1.3 2.1' cell1.basis = {'He': [(0, (2.5, 1)), (0, (1., 1))]} cell1.a = np.eye(3) * 2.5 cell1.mesh = [21] * 3 cell1.build() kdf0 = mdf.MDF(cell1) kdf0.auxbasis = 'weigend' kdf0.mesh = [21] * 3 kdf0.kpts = kpts def tearDownModule(): global cell, cell1, kdf0 del cell, cell1, kdf0 class KnownValues(unittest.TestCase): def test_get_pp_loc_part1_high_cost(self): df = aft.AFTDF(cell) v1 = aft.get_pp_loc_part1(df, kpts[0]) self.assertAlmostEqual(lib.fp(v1), (-6.0893491060887159+0.19823828749533859j), 8) def test_aft_get_nuc(self): df = aft.AFTDF(cell) v1 = df.get_nuc(kpts[0]) self.assertAlmostEqual(lib.fp(v1), (-5.764786312608102+0.19126292955145852j), 8) def test_aft_get_pp(self): v0 = pgto.pseudo.get_pp(cell, kpts[0]) v1 = aft.AFTDF(cell).get_pp(kpts) self.assertTrue(np.allclose(v0, v1[0], atol=1e-5, rtol=1e-5)) self.assertAlmostEqual(lib.fp(v1[0]), (-5.6240305085898807+0.22094834207603817j), 8) v0 = pgto.pseudo.get_pp(cell, kpts[1]) self.assertTrue(np.allclose(v0, v1[1], atol=1e-5, rtol=1e-5)) self.assertAlmostEqual(lib.fp(v1[1]), (-5.53877585793+1.043933371359j) ,8) self.assertAlmostEqual(lib.fp(v1[2]), (-6.05309558678+0.281728966073j), 8) self.assertAlmostEqual(lib.fp(v1[3]), (-5.60115995450+0.275973062529j), 8) def test_aft_get_ao_eri(self): df0 = fft.FFTDF(cell1) df = aft.AFTDF(cell1) eri0 = df0.get_ao_eri(compact=True) eri1 = df.get_ao_eri(compact=True) self.assertAlmostEqual(abs(eri0-eri1).max(), 0, 9) eri0 = df0.get_ao_eri(kpts[0]) eri1 = df.get_ao_eri(kpts[0]) self.assertAlmostEqual(abs(eri0-eri1).max(), 0, 9) eri0 = df0.get_ao_eri(kpts) eri1 = df.get_ao_eri(kpts) self.assertAlmostEqual(abs(eri0-eri1).max(), 0, 9) def test_aft_get_ao_eri_high_cost(self): df0 = fft.FFTDF(cell) df = aft.AFTDF(cell) eri0 = df0.get_ao_eri(compact=True) eri1 = df.get_ao_eri(compact=True) self.assertTrue(np.allclose(eri0, eri1, atol=1e-5, rtol=1e-5)) self.assertAlmostEqual(lib.fp(eri1), 0.80425361966560172, 8) eri0 = df0.get_ao_eri(kpts[0]) eri1 = df.get_ao_eri(kpts[0]) self.assertTrue(np.allclose(eri0, eri1, atol=1e-5, rtol=1e-5)) self.assertAlmostEqual(lib.fp(eri1), (2.9346374476387949-0.20479054936779137j), 8) eri0 = df0.get_ao_eri(kpts) eri1 = df.get_ao_eri(kpts) self.assertTrue(np.allclose(eri0, eri1, atol=1e-5, rtol=1e-5)) self.assertAlmostEqual(lib.fp(eri1), (0.33709287302019619-0.94185725020966538j), 8) def test_get_eri_gamma(self): odf0 = mdf.MDF(cell1) odf = aft.AFTDF(cell1) ref = odf0.get_eri() eri0000 = odf.get_eri(compact=True) self.assertTrue(eri0000.dtype == numpy.double) self.assertTrue(np.allclose(eri0000, ref, atol=1e-6, rtol=1e-6)) self.assertAlmostEqual(lib.fp(eri0000), 0.23714016293926865, 9) def test_get_eri_gamma(self): odf = aft.AFTDF(cell1) ref = kdf0.get_eri((kpts[0],kpts[0],kpts[0],kpts[0])) eri1111 = odf.get_eri((kpts[0],kpts[0],kpts[0],kpts[0])) self.assertTrue(np.allclose(eri1111, ref, atol=1e-6, rtol=1e-6)) self.assertAlmostEqual(lib.fp(eri1111), (1.2410388899583582-5.2370501878355006e-06j), 9) eri1111 = odf.get_eri((kpts[0]+1e-8,kpts[0]+1e-8,kpts[0],kpts[0])) self.assertTrue(np.allclose(eri1111, ref, atol=1e-6, rtol=1e-6)) self.assertAlmostEqual(lib.fp(eri1111), (1.2410388899583582-5.2370501878355006e-06j), 9) def test_get_eri_0011(self): odf = aft.AFTDF(cell1) ref = kdf0.get_eri((kpts[0],kpts[0],kpts[1],kpts[1])) eri0011 = odf.get_eri((kpts[0],kpts[0],kpts[1],kpts[1])) self.assertTrue(np.allclose(eri0011, ref, atol=1e-3, rtol=1e-3)) self.assertAlmostEqual(lib.fp(eri0011), (1.2410162858084512+0.00074485383749912936j), 9) ref = fft.FFTDF(cell1).get_mo_eri([numpy.eye(cell1.nao_nr())]*4, (kpts[0],kpts[0],kpts[1],kpts[1])) eri0011 = odf.get_eri((kpts[0],kpts[0],kpts[1],kpts[1])) self.assertTrue(np.allclose(eri0011, ref, atol=1e-9, rtol=1e-9)) self.assertAlmostEqual(lib.fp(eri0011), (1.2410162860852818+0.00074485383748954838j), 9) def test_get_eri_0110(self): odf = aft.AFTDF(cell1) ref = kdf0.get_eri((kpts[0],kpts[1],kpts[1],kpts[0])) eri0110 = odf.get_eri((kpts[0],kpts[1],kpts[1],kpts[0])) self.assertTrue(np.allclose(eri0110, ref, atol=1e-6, rtol=1e-6)) eri0110 = odf.get_eri((kpts[0]+1e-8,kpts[1]+1e-8,kpts[1],kpts[0])) self.assertTrue(np.allclose(eri0110, ref, atol=1e-6, rtol=1e-6)) self.assertAlmostEqual(lib.fp(eri0110), (1.2928399254827956-0.011820590601969154j), 9) ref = fft.FFTDF(cell1).get_mo_eri([numpy.eye(cell1.nao_nr())]*4, (kpts[0],kpts[1],kpts[1],kpts[0])) eri0110 = odf.get_eri((kpts[0],kpts[1],kpts[1],kpts[0])) self.assertTrue(np.allclose(eri0110, ref, atol=1e-9, rtol=1e-9)) self.assertAlmostEqual(lib.fp(eri0110), (1.2928399254827956-0.011820590601969154j), 9) eri0110 = odf.get_eri((kpts[0]+1e-8,kpts[1]+1e-8,kpts[1],kpts[0])) self.assertTrue(np.allclose(eri0110, ref, atol=1e-9, rtol=1e-9)) self.assertAlmostEqual(lib.fp(eri0110), (1.2928399254827956-0.011820590601969154j), 9) def test_get_eri_0123(self): odf = aft.AFTDF(cell1) ref = kdf0.get_eri(kpts) eri1111 = odf.get_eri(kpts) self.assertAlmostEqual(abs(eri1111-ref).max(), 0, 9) self.assertAlmostEqual(lib.fp(eri1111), (1.2917759427391706-0.013340252488069412j), 9) ref = fft.FFTDF(cell1).get_mo_eri([numpy.eye(cell1.nao_nr())]*4, kpts) self.assertAlmostEqual(abs(eri1111-ref).max(), 0, 9) def test_get_mo_eri(self): df0 = fft.FFTDF(cell1) odf = aft.AFTDF(cell1) nao = cell1.nao_nr() numpy.random.seed(5) mo =(numpy.random.random((nao,nao)) + numpy.random.random((nao,nao))*1j) eri_mo0 = df0.get_mo_eri((mo,)*4, kpts) eri_mo1 = odf.get_mo_eri((mo,)*4, kpts) self.assertTrue(np.allclose(eri_mo1, eri_mo0, atol=1e-7, rtol=1e-7)) kpts_t = (kpts[2],kpts[3],kpts[0],kpts[1]) eri_mo2 = df0.get_mo_eri((mo,)*4, kpts_t) eri_mo2 = eri_mo2.reshape((nao,)*4).transpose(2,3,0,1).reshape(nao**2,-1) self.assertTrue(np.allclose(eri_mo2, eri_mo0, atol=1e-7, rtol=1e-7)) eri_mo0 = df0.get_mo_eri((mo,)*4, (kpts[0],)*4) eri_mo1 = odf.get_mo_eri((mo,)*4, (kpts[0],)*4) self.assertTrue(np.allclose(eri_mo1, eri_mo0, atol=1e-7, rtol=1e-7)) eri_mo0 = df0.get_mo_eri((mo,)*4, (kpts[0],kpts[1],kpts[1],kpts[0],)) eri_mo1 = odf.get_mo_eri((mo,)*4, (kpts[0],kpts[1],kpts[1],kpts[0],)) self.assertTrue(np.allclose(eri_mo1, eri_mo0, atol=1e-7, rtol=1e-7)) eri_mo0 = df0.get_mo_eri((mo,)*4, (kpt0,kpt0,kpts[0],kpts[0],)) eri_mo1 = odf.get_mo_eri((mo,)*4, (kpt0,kpt0,kpts[0],kpts[0],)) self.assertTrue(np.allclose(eri_mo1, eri_mo0, atol=1e-7, rtol=1e-7)) eri_mo0 = df0.get_mo_eri((mo,)*4, (kpts[0],kpts[0],kpt0,kpt0,)) eri_mo1 = odf.get_mo_eri((mo,)*4, (kpts[0],kpts[0],kpt0,kpt0,)) self.assertTrue(np.allclose(eri_mo1, eri_mo0, atol=1e-7, rtol=1e-7)) mo1 = mo[:,:nao//2+1] eri_mo0 = df0.get_mo_eri((mo1,mo,mo,mo1), (kpts[0],)*4) eri_mo1 = odf.get_mo_eri((mo1,mo,mo,mo1), (kpts[0],)*4) self.assertTrue(np.allclose(eri_mo1, eri_mo0, atol=1e-7, rtol=1e-7)) eri_mo0 = df0.get_mo_eri((mo1,mo,mo1,mo), (kpts[0],kpts[1],kpts[1],kpts[0],)) eri_mo1 = odf.get_mo_eri((mo1,mo,mo1,mo), (kpts[0],kpts[1],kpts[1],kpts[0],)) self.assertTrue(np.allclose(eri_mo1, eri_mo0, atol=1e-7, rtol=1e-7)) def test_init_aft_1d(self): cell = pgto.Cell() cell.atom = 'He 1. .5 .5; He .1 1.3 2.1' cell.basis = {'He': [(0, (2.5, 1)), (0, (1., 1))]} cell.a = np.eye(3) * 2.5 cell.dimension = 1 cell.mesh = [3, 3, 3] cell.build() f = aft.AFTDF(cell) np.random.seed(1) f.kpts = np.random.random((4,3)) f.check_sanity() if __name__ == '__main__': print("Full Tests for aft") unittest.main()
sunqm/pyscf
pyscf/pbc/df/test/test_aft.py
Python
apache-2.0
18,913
[ "PySCF" ]
03cac9607f3780898ffef44f495a627f05e483026237ecb1d9468a3e7d706d14
# Version: 0.18 """The Versioneer - like a rocketeer, but for versions. The Versioneer ============== * like a rocketeer, but for versions! * https://github.com/warner/python-versioneer * Brian Warner * License: Public Domain * Compatible With: python2.6, 2.7, 3.2, 3.3, 3.4, 3.5, 3.6, and pypy * [![Latest Version] (https://pypip.in/version/versioneer/badge.svg?style=flat) ](https://pypi.python.org/pypi/versioneer/) * [![Build Status] (https://travis-ci.org/warner/python-versioneer.png?branch=master) ](https://travis-ci.org/warner/python-versioneer) This is a tool for managing a recorded version number in distutils-based python projects. The goal is to remove the tedious and error-prone "update the embedded version string" step from your release process. Making a new release should be as easy as recording a new tag in your version-control system, and maybe making new tarballs. ## Quick Install * `pip install versioneer` to somewhere to your $PATH * add a `[versioneer]` section to your setup.cfg (see below) * run `versioneer install` in your source tree, commit the results ## Version Identifiers Source trees come from a variety of places: * a version-control system checkout (mostly used by developers) * a nightly tarball, produced by build automation * a snapshot tarball, produced by a web-based VCS browser, like github's "tarball from tag" feature * a release tarball, produced by "setup.py sdist", distributed through PyPI Within each source tree, the version identifier (either a string or a number, this tool is format-agnostic) can come from a variety of places: * ask the VCS tool itself, e.g. "git describe" (for checkouts), which knows about recent "tags" and an absolute revision-id * the name of the directory into which the tarball was unpacked * an expanded VCS keyword ($Id$, etc) * a `_version.py` created by some earlier build step For released software, the version identifier is closely related to a VCS tag. Some projects use tag names that include more than just the version string (e.g. "myproject-1.2" instead of just "1.2"), in which case the tool needs to strip the tag prefix to extract the version identifier. For unreleased software (between tags), the version identifier should provide enough information to help developers recreate the same tree, while also giving them an idea of roughly how old the tree is (after version 1.2, before version 1.3). Many VCS systems can report a description that captures this, for example `git describe --tags --dirty --always` reports things like "0.7-1-g574ab98-dirty" to indicate that the checkout is one revision past the 0.7 tag, has a unique revision id of "574ab98", and is "dirty" (it has uncommitted changes. The version identifier is used for multiple purposes: * to allow the module to self-identify its version: `myproject.__version__` * to choose a name and prefix for a 'setup.py sdist' tarball ## Theory of Operation Versioneer works by adding a special `_version.py` file into your source tree, where your `__init__.py` can import it. This `_version.py` knows how to dynamically ask the VCS tool for version information at import time. `_version.py` also contains `$Revision$` markers, and the installation process marks `_version.py` to have this marker rewritten with a tag name during the `git archive` command. As a result, generated tarballs will contain enough information to get the proper version. To allow `setup.py` to compute a version too, a `versioneer.py` is added to the top level of your source tree, next to `setup.py` and the `setup.cfg` that configures it. This overrides several distutils/setuptools commands to compute the version when invoked, and changes `setup.py build` and `setup.py sdist` to replace `_version.py` with a small static file that contains just the generated version data. ## Installation See [INSTALL.md](./INSTALL.md) for detailed installation instructions. ## Version-String Flavors Code which uses Versioneer can learn about its version string at runtime by importing `_version` from your main `__init__.py` file and running the `get_versions()` function. From the "outside" (e.g. in `setup.py`), you can import the top-level `versioneer.py` and run `get_versions()`. Both functions return a dictionary with different flavors of version information: * `['version']`: A condensed version string, rendered using the selected style. This is the most commonly used value for the project's version string. The default "pep440" style yields strings like `0.11`, `0.11+2.g1076c97`, or `0.11+2.g1076c97.dirty`. See the "Styles" section below for alternative styles. * `['full-revisionid']`: detailed revision identifier. For Git, this is the full SHA1 commit id, e.g. "1076c978a8d3cfc70f408fe5974aa6c092c949ac". * `['date']`: Date and time of the latest `HEAD` commit. For Git, it is the commit date in ISO 8601 format. This will be None if the date is not available. * `['dirty']`: a boolean, True if the tree has uncommitted changes. Note that this is only accurate if run in a VCS checkout, otherwise it is likely to be False or None * `['error']`: if the version string could not be computed, this will be set to a string describing the problem, otherwise it will be None. It may be useful to throw an exception in setup.py if this is set, to avoid e.g. creating tarballs with a version string of "unknown". Some variants are more useful than others. Including `full-revisionid` in a bug report should allow developers to reconstruct the exact code being tested (or indicate the presence of local changes that should be shared with the developers). `version` is suitable for display in an "about" box or a CLI `--version` output: it can be easily compared against release notes and lists of bugs fixed in various releases. The installer adds the following text to your `__init__.py` to place a basic version in `YOURPROJECT.__version__`: from ._version import get_versions __version__ = get_versions()['version'] del get_versions ## Styles The setup.cfg `style=` configuration controls how the VCS information is rendered into a version string. The default style, "pep440", produces a PEP440-compliant string, equal to the un-prefixed tag name for actual releases, and containing an additional "local version" section with more detail for in-between builds. For Git, this is TAG[+DISTANCE.gHEX[.dirty]] , using information from `git describe --tags --dirty --always`. For example "0.11+2.g1076c97.dirty" indicates that the tree is like the "1076c97" commit but has uncommitted changes (".dirty"), and that this commit is two revisions ("+2") beyond the "0.11" tag. For released software (exactly equal to a known tag), the identifier will only contain the stripped tag, e.g. "0.11". Other styles are available. See [details.md](details.md) in the Versioneer source tree for descriptions. ## Debugging Versioneer tries to avoid fatal errors: if something goes wrong, it will tend to return a version of "0+unknown". To investigate the problem, run `setup.py version`, which will run the version-lookup code in a verbose mode, and will display the full contents of `get_versions()` (including the `error` string, which may help identify what went wrong). ## Known Limitations Some situations are known to cause problems for Versioneer. This details the most significant ones. More can be found on Github [issues page](https://github.com/warner/python-versioneer/issues). ### Subprojects Versioneer has limited support for source trees in which `setup.py` is not in the root directory (e.g. `setup.py` and `.git/` are *not* siblings). The are two common reasons why `setup.py` might not be in the root: * Source trees which contain multiple subprojects, such as [Buildbot](https://github.com/buildbot/buildbot), which contains both "master" and "slave" subprojects, each with their own `setup.py`, `setup.cfg`, and `tox.ini`. Projects like these produce multiple PyPI distributions (and upload multiple independently-installable tarballs). * Source trees whose main purpose is to contain a C library, but which also provide bindings to Python (and perhaps other langauges) in subdirectories. Versioneer will look for `.git` in parent directories, and most operations should get the right version string. However `pip` and `setuptools` have bugs and implementation details which frequently cause `pip install .` from a subproject directory to fail to find a correct version string (so it usually defaults to `0+unknown`). `pip install --editable .` should work correctly. `setup.py install` might work too. Pip-8.1.1 is known to have this problem, but hopefully it will get fixed in some later version. [Bug #38](https://github.com/warner/python-versioneer/issues/38) is tracking this issue. The discussion in [PR #61](https://github.com/warner/python-versioneer/pull/61) describes the issue from the Versioneer side in more detail. [pip PR#3176](https://github.com/pypa/pip/pull/3176) and [pip PR#3615](https://github.com/pypa/pip/pull/3615) contain work to improve pip to let Versioneer work correctly. Versioneer-0.16 and earlier only looked for a `.git` directory next to the `setup.cfg`, so subprojects were completely unsupported with those releases. ### Editable installs with setuptools <= 18.5 `setup.py develop` and `pip install --editable .` allow you to install a project into a virtualenv once, then continue editing the source code (and test) without re-installing after every change. "Entry-point scripts" (`setup(entry_points={"console_scripts": ..})`) are a convenient way to specify executable scripts that should be installed along with the python package. These both work as expected when using modern setuptools. When using setuptools-18.5 or earlier, however, certain operations will cause `pkg_resources.DistributionNotFound` errors when running the entrypoint script, which must be resolved by re-installing the package. This happens when the install happens with one version, then the egg_info data is regenerated while a different version is checked out. Many setup.py commands cause egg_info to be rebuilt (including `sdist`, `wheel`, and installing into a different virtualenv), so this can be surprising. [Bug #83](https://github.com/warner/python-versioneer/issues/83) describes this one, but upgrading to a newer version of setuptools should probably resolve it. ### Unicode version strings While Versioneer works (and is continually tested) with both Python 2 and Python 3, it is not entirely consistent with bytes-vs-unicode distinctions. Newer releases probably generate unicode version strings on py2. It's not clear that this is wrong, but it may be surprising for applications when then write these strings to a network connection or include them in bytes-oriented APIs like cryptographic checksums. [Bug #71](https://github.com/warner/python-versioneer/issues/71) investigates this question. ## Updating Versioneer To upgrade your project to a new release of Versioneer, do the following: * install the new Versioneer (`pip install -U versioneer` or equivalent) * edit `setup.cfg`, if necessary, to include any new configuration settings indicated by the release notes. See [UPGRADING](./UPGRADING.md) for details. * re-run `versioneer install` in your source tree, to replace `SRC/_version.py` * commit any changed files ## Future Directions This tool is designed to make it easily extended to other version-control systems: all VCS-specific components are in separate directories like src/git/ . The top-level `versioneer.py` script is assembled from these components by running make-versioneer.py . In the future, make-versioneer.py will take a VCS name as an argument, and will construct a version of `versioneer.py` that is specific to the given VCS. It might also take the configuration arguments that are currently provided manually during installation by editing setup.py . Alternatively, it might go the other direction and include code from all supported VCS systems, reducing the number of intermediate scripts. ## License To make Versioneer easier to embed, all its code is dedicated to the public domain. The `_version.py` that it creates is also in the public domain. Specifically, both are released under the Creative Commons "Public Domain Dedication" license (CC0-1.0), as described in https://creativecommons.org/publicdomain/zero/1.0/ . """ try: import configparser except ImportError: import ConfigParser as configparser import errno import json import os import re import subprocess import sys class VersioneerConfig: """Container for Versioneer configuration parameters.""" def get_root(): """Get the project root directory. We require that all commands are run from the project root, i.e. the directory that contains setup.py, setup.cfg, and versioneer.py . """ root = os.path.realpath(os.path.abspath(os.getcwd())) setup_py = os.path.join(root, "setup.py") versioneer_py = os.path.join(root, "versioneer.py") if not (os.path.exists(setup_py) or os.path.exists(versioneer_py)): # allow 'python path/to/setup.py COMMAND' root = os.path.dirname(os.path.realpath(os.path.abspath(sys.argv[0]))) setup_py = os.path.join(root, "setup.py") versioneer_py = os.path.join(root, "versioneer.py") if not (os.path.exists(setup_py) or os.path.exists(versioneer_py)): err = ("Versioneer was unable to run the project root directory. " "Versioneer requires setup.py to be executed from " "its immediate directory (like 'python setup.py COMMAND'), " "or in a way that lets it use sys.argv[0] to find the root " "(like 'python path/to/setup.py COMMAND').") raise VersioneerBadRootError(err) try: # Certain runtime workflows (setup.py install/develop in a setuptools # tree) execute all dependencies in a single python process, so # "versioneer" may be imported multiple times, and python's shared # module-import table will cache the first one. So we can't use # os.path.dirname(__file__), as that will find whichever # versioneer.py was first imported, even in later projects. me = os.path.realpath(os.path.abspath(__file__)) me_dir = os.path.normcase(os.path.splitext(me)[0]) vsr_dir = os.path.normcase(os.path.splitext(versioneer_py)[0]) if me_dir != vsr_dir: print("Warning: build in %s is using versioneer.py from %s" % (os.path.dirname(me), versioneer_py)) except NameError: pass return root def get_config_from_root(root): """Read the project setup.cfg file to determine Versioneer config.""" # This might raise EnvironmentError (if setup.cfg is missing), or # configparser.NoSectionError (if it lacks a [versioneer] section), or # configparser.NoOptionError (if it lacks "VCS="). See the docstring at # the top of versioneer.py for instructions on writing your setup.cfg . setup_cfg = os.path.join(root, "setup.cfg") parser = configparser.SafeConfigParser() with open(setup_cfg, "r") as f: parser.readfp(f) VCS = parser.get("versioneer", "VCS") # mandatory def get(parser, name): if parser.has_option("versioneer", name): return parser.get("versioneer", name) return None cfg = VersioneerConfig() cfg.VCS = VCS cfg.style = get(parser, "style") or "" cfg.versionfile_source = get(parser, "versionfile_source") cfg.versionfile_build = get(parser, "versionfile_build") cfg.tag_prefix = get(parser, "tag_prefix") if cfg.tag_prefix in ("''", '""'): cfg.tag_prefix = "" cfg.parentdir_prefix = get(parser, "parentdir_prefix") cfg.verbose = get(parser, "verbose") return cfg class NotThisMethod(Exception): """Exception raised if a method is not valid for the current scenario.""" # these dictionaries contain VCS-specific tools LONG_VERSION_PY = {} HANDLERS = {} def register_vcs_handler(vcs, method): # decorator """Decorator to mark a method as the handler for a particular VCS.""" def decorate(f): """Store f in HANDLERS[vcs][method].""" if vcs not in HANDLERS: HANDLERS[vcs] = {} HANDLERS[vcs][method] = f return f return decorate def run_command(commands, args, cwd=None, verbose=False, hide_stderr=False, env=None): """Call the given command(s).""" assert isinstance(commands, list) p = None for c in commands: try: dispcmd = str([c] + args) # remember shell=False, so use git.cmd on windows, not just git p = subprocess.Popen([c] + args, cwd=cwd, env=env, stdout=subprocess.PIPE, stderr=(subprocess.PIPE if hide_stderr else None)) break except EnvironmentError: e = sys.exc_info()[1] if e.errno == errno.ENOENT: continue if verbose: print("unable to run %s" % dispcmd) print(e) return None, None else: if verbose: print("unable to find command, tried %s" % (commands,)) return None, None stdout = p.communicate()[0].strip() if sys.version_info[0] >= 3: stdout = stdout.decode() if p.returncode != 0: if verbose: print("unable to run %s (error)" % dispcmd) print("stdout was %s" % stdout) return None, p.returncode return stdout, p.returncode LONG_VERSION_PY['git'] = ''' # This file helps to compute a version number in source trees obtained from # git-archive tarball (such as those provided by githubs download-from-tag # feature). Distribution tarballs (built by setup.py sdist) and build # directories (produced by setup.py build) will contain a much shorter file # that just contains the computed version number. # This file is released into the public domain. Generated by # versioneer-0.18 (https://github.com/warner/python-versioneer) """Git implementation of _version.py.""" import errno import os import re import subprocess import sys def get_keywords(): """Get the keywords needed to look up the version information.""" # these strings will be replaced by git during git-archive. # setup.py/versioneer.py will grep for the variable names, so they must # each be defined on a line of their own. _version.py will just call # get_keywords(). git_refnames = "%(DOLLAR)sFormat:%%d%(DOLLAR)s" git_full = "%(DOLLAR)sFormat:%%H%(DOLLAR)s" git_date = "%(DOLLAR)sFormat:%%ci%(DOLLAR)s" keywords = {"refnames": git_refnames, "full": git_full, "date": git_date} return keywords class VersioneerConfig: """Container for Versioneer configuration parameters.""" def get_config(): """Create, populate and return the VersioneerConfig() object.""" # these strings are filled in when 'setup.py versioneer' creates # _version.py cfg = VersioneerConfig() cfg.VCS = "git" cfg.style = "%(STYLE)s" cfg.tag_prefix = "%(TAG_PREFIX)s" cfg.parentdir_prefix = "%(PARENTDIR_PREFIX)s" cfg.versionfile_source = "%(VERSIONFILE_SOURCE)s" cfg.verbose = False return cfg class NotThisMethod(Exception): """Exception raised if a method is not valid for the current scenario.""" LONG_VERSION_PY = {} HANDLERS = {} def register_vcs_handler(vcs, method): # decorator """Decorator to mark a method as the handler for a particular VCS.""" def decorate(f): """Store f in HANDLERS[vcs][method].""" if vcs not in HANDLERS: HANDLERS[vcs] = {} HANDLERS[vcs][method] = f return f return decorate def run_command(commands, args, cwd=None, verbose=False, hide_stderr=False, env=None): """Call the given command(s).""" assert isinstance(commands, list) p = None for c in commands: try: dispcmd = str([c] + args) # remember shell=False, so use git.cmd on windows, not just git p = subprocess.Popen([c] + args, cwd=cwd, env=env, stdout=subprocess.PIPE, stderr=(subprocess.PIPE if hide_stderr else None)) break except EnvironmentError: e = sys.exc_info()[1] if e.errno == errno.ENOENT: continue if verbose: print("unable to run %%s" %% dispcmd) print(e) return None, None else: if verbose: print("unable to find command, tried %%s" %% (commands,)) return None, None stdout = p.communicate()[0].strip() if sys.version_info[0] >= 3: stdout = stdout.decode() if p.returncode != 0: if verbose: print("unable to run %%s (error)" %% dispcmd) print("stdout was %%s" %% stdout) return None, p.returncode return stdout, p.returncode def versions_from_parentdir(parentdir_prefix, root, verbose): """Try to determine the version from the parent directory name. Source tarballs conventionally unpack into a directory that includes both the project name and a version string. We will also support searching up two directory levels for an appropriately named parent directory """ rootdirs = [] for i in range(3): dirname = os.path.basename(root) if dirname.startswith(parentdir_prefix): return {"version": dirname[len(parentdir_prefix):], "full-revisionid": None, "dirty": False, "error": None, "date": None} else: rootdirs.append(root) root = os.path.dirname(root) # up a level if verbose: print("Tried directories %%s but none started with prefix %%s" %% (str(rootdirs), parentdir_prefix)) raise NotThisMethod("rootdir doesn't start with parentdir_prefix") @register_vcs_handler("git", "get_keywords") def git_get_keywords(versionfile_abs): """Extract version information from the given file.""" # the code embedded in _version.py can just fetch the value of these # keywords. When used from setup.py, we don't want to import _version.py, # so we do it with a regexp instead. This function is not used from # _version.py. keywords = {} try: f = open(versionfile_abs, "r") for line in f.readlines(): if line.strip().startswith("git_refnames ="): mo = re.search(r'=\s*"(.*)"', line) if mo: keywords["refnames"] = mo.group(1) if line.strip().startswith("git_full ="): mo = re.search(r'=\s*"(.*)"', line) if mo: keywords["full"] = mo.group(1) if line.strip().startswith("git_date ="): mo = re.search(r'=\s*"(.*)"', line) if mo: keywords["date"] = mo.group(1) f.close() except EnvironmentError: pass return keywords @register_vcs_handler("git", "keywords") def git_versions_from_keywords(keywords, tag_prefix, verbose): """Get version information from git keywords.""" if not keywords: raise NotThisMethod("no keywords at all, weird") date = keywords.get("date") if date is not None: # git-2.2.0 added "%%cI", which expands to an ISO-8601 -compliant # datestamp. However we prefer "%%ci" (which expands to an "ISO-8601 # -like" string, which we must then edit to make compliant), because # it's been around since git-1.5.3, and it's too difficult to # discover which version we're using, or to work around using an # older one. date = date.strip().replace(" ", "T", 1).replace(" ", "", 1) refnames = keywords["refnames"].strip() if refnames.startswith("$Format"): if verbose: print("keywords are unexpanded, not using") raise NotThisMethod("unexpanded keywords, not a git-archive tarball") refs = set([r.strip() for r in refnames.strip("()").split(",")]) # starting in git-1.8.3, tags are listed as "tag: foo-1.0" instead of # just "foo-1.0". If we see a "tag: " prefix, prefer those. TAG = "tag: " tags = set([r[len(TAG):] for r in refs if r.startswith(TAG)]) if not tags: # Either we're using git < 1.8.3, or there really are no tags. We use # a heuristic: assume all version tags have a digit. The old git %%d # expansion behaves like git log --decorate=short and strips out the # refs/heads/ and refs/tags/ prefixes that would let us distinguish # between branches and tags. By ignoring refnames without digits, we # filter out many common branch names like "release" and # "stabilization", as well as "HEAD" and "master". tags = set([r for r in refs if re.search(r'\d', r)]) if verbose: print("discarding '%%s', no digits" %% ",".join(refs - tags)) if verbose: print("likely tags: %%s" %% ",".join(sorted(tags))) for ref in sorted(tags): # sorting will prefer e.g. "2.0" over "2.0rc1" if ref.startswith(tag_prefix): r = ref[len(tag_prefix):] if verbose: print("picking %%s" %% r) return {"version": r, "full-revisionid": keywords["full"].strip(), "dirty": False, "error": None, "date": date} # no suitable tags, so version is "0+unknown", but full hex is still there if verbose: print("no suitable tags, using unknown + full revision id") return {"version": "0+unknown", "full-revisionid": keywords["full"].strip(), "dirty": False, "error": "no suitable tags", "date": None} @register_vcs_handler("git", "pieces_from_vcs") def git_pieces_from_vcs(tag_prefix, root, verbose, run_command=run_command): """Get version from 'git describe' in the root of the source tree. This only gets called if the git-archive 'subst' keywords were *not* expanded, and _version.py hasn't already been rewritten with a short version string, meaning we're inside a checked out source tree. """ GITS = ["git"] if sys.platform == "win32": GITS = ["git.cmd", "git.exe"] out, rc = run_command(GITS, ["rev-parse", "--git-dir"], cwd=root, hide_stderr=True) if rc != 0: if verbose: print("Directory %%s not under git control" %% root) raise NotThisMethod("'git rev-parse --git-dir' returned error") # if there is a tag matching tag_prefix, this yields TAG-NUM-gHEX[-dirty] # if there isn't one, this yields HEX[-dirty] (no NUM) describe_out, rc = run_command(GITS, ["describe", "--tags", "--dirty", "--always", "--long", "--match", "%%s*" %% tag_prefix], cwd=root) # --long was added in git-1.5.5 if describe_out is None: raise NotThisMethod("'git describe' failed") describe_out = describe_out.strip() full_out, rc = run_command(GITS, ["rev-parse", "HEAD"], cwd=root) if full_out is None: raise NotThisMethod("'git rev-parse' failed") full_out = full_out.strip() pieces = {} pieces["long"] = full_out pieces["short"] = full_out[:7] # maybe improved later pieces["error"] = None # parse describe_out. It will be like TAG-NUM-gHEX[-dirty] or HEX[-dirty] # TAG might have hyphens. git_describe = describe_out # look for -dirty suffix dirty = git_describe.endswith("-dirty") pieces["dirty"] = dirty if dirty: git_describe = git_describe[:git_describe.rindex("-dirty")] # now we have TAG-NUM-gHEX or HEX if "-" in git_describe: # TAG-NUM-gHEX mo = re.search(r'^(.+)-(\d+)-g([0-9a-f]+)$', git_describe) if not mo: # unparseable. Maybe git-describe is misbehaving? pieces["error"] = ("unable to parse git-describe output: '%%s'" %% describe_out) return pieces # tag full_tag = mo.group(1) if not full_tag.startswith(tag_prefix): if verbose: fmt = "tag '%%s' doesn't start with prefix '%%s'" print(fmt %% (full_tag, tag_prefix)) pieces["error"] = ("tag '%%s' doesn't start with prefix '%%s'" %% (full_tag, tag_prefix)) return pieces pieces["closest-tag"] = full_tag[len(tag_prefix):] # distance: number of commits since tag pieces["distance"] = int(mo.group(2)) # commit: short hex revision ID pieces["short"] = mo.group(3) else: # HEX: no tags pieces["closest-tag"] = None count_out, rc = run_command(GITS, ["rev-list", "HEAD", "--count"], cwd=root) pieces["distance"] = int(count_out) # total number of commits # commit date: see ISO-8601 comment in git_versions_from_keywords() date = run_command(GITS, ["show", "-s", "--format=%%ci", "HEAD"], cwd=root)[0].strip() pieces["date"] = date.strip().replace(" ", "T", 1).replace(" ", "", 1) return pieces def plus_or_dot(pieces): """Return a + if we don't already have one, else return a .""" if "+" in pieces.get("closest-tag", ""): return "." return "+" def render_pep440(pieces): """Build up version string, with post-release "local version identifier". Our goal: TAG[+DISTANCE.gHEX[.dirty]] . Note that if you get a tagged build and then dirty it, you'll get TAG+0.gHEX.dirty Exceptions: 1: no tags. git_describe was just HEX. 0+untagged.DISTANCE.gHEX[.dirty] """ if pieces["closest-tag"]: rendered = pieces["closest-tag"] if pieces["distance"] or pieces["dirty"]: rendered += plus_or_dot(pieces) rendered += "%%d.g%%s" %% (pieces["distance"], pieces["short"]) if pieces["dirty"]: rendered += ".dirty" else: # exception #1 rendered = "0+untagged.%%d.g%%s" %% (pieces["distance"], pieces["short"]) if pieces["dirty"]: rendered += ".dirty" return rendered def render_pep440_pre(pieces): """TAG[.post.devDISTANCE] -- No -dirty. Exceptions: 1: no tags. 0.post.devDISTANCE """ if pieces["closest-tag"]: rendered = pieces["closest-tag"] if pieces["distance"]: rendered += ".post.dev%%d" %% pieces["distance"] else: # exception #1 rendered = "0.post.dev%%d" %% pieces["distance"] return rendered def render_pep440_post(pieces): """TAG[.postDISTANCE[.dev0]+gHEX] . The ".dev0" means dirty. Note that .dev0 sorts backwards (a dirty tree will appear "older" than the corresponding clean one), but you shouldn't be releasing software with -dirty anyways. Exceptions: 1: no tags. 0.postDISTANCE[.dev0] """ if pieces["closest-tag"]: rendered = pieces["closest-tag"] if pieces["distance"] or pieces["dirty"]: rendered += ".post%%d" %% pieces["distance"] if pieces["dirty"]: rendered += ".dev0" rendered += plus_or_dot(pieces) rendered += "g%%s" %% pieces["short"] else: # exception #1 rendered = "0.post%%d" %% pieces["distance"] if pieces["dirty"]: rendered += ".dev0" rendered += "+g%%s" %% pieces["short"] return rendered def render_pep440_old(pieces): """TAG[.postDISTANCE[.dev0]] . The ".dev0" means dirty. Eexceptions: 1: no tags. 0.postDISTANCE[.dev0] """ if pieces["closest-tag"]: rendered = pieces["closest-tag"] if pieces["distance"] or pieces["dirty"]: rendered += ".post%%d" %% pieces["distance"] if pieces["dirty"]: rendered += ".dev0" else: # exception #1 rendered = "0.post%%d" %% pieces["distance"] if pieces["dirty"]: rendered += ".dev0" return rendered def render_git_describe(pieces): """TAG[-DISTANCE-gHEX][-dirty]. Like 'git describe --tags --dirty --always'. Exceptions: 1: no tags. HEX[-dirty] (note: no 'g' prefix) """ if pieces["closest-tag"]: rendered = pieces["closest-tag"] if pieces["distance"]: rendered += "-%%d-g%%s" %% (pieces["distance"], pieces["short"]) else: # exception #1 rendered = pieces["short"] if pieces["dirty"]: rendered += "-dirty" return rendered def render_git_describe_long(pieces): """TAG-DISTANCE-gHEX[-dirty]. Like 'git describe --tags --dirty --always -long'. The distance/hash is unconditional. Exceptions: 1: no tags. HEX[-dirty] (note: no 'g' prefix) """ if pieces["closest-tag"]: rendered = pieces["closest-tag"] rendered += "-%%d-g%%s" %% (pieces["distance"], pieces["short"]) else: # exception #1 rendered = pieces["short"] if pieces["dirty"]: rendered += "-dirty" return rendered def render(pieces, style): """Render the given version pieces into the requested style.""" if pieces["error"]: return {"version": "unknown", "full-revisionid": pieces.get("long"), "dirty": None, "error": pieces["error"], "date": None} if not style or style == "default": style = "pep440" # the default if style == "pep440": rendered = render_pep440(pieces) elif style == "pep440-pre": rendered = render_pep440_pre(pieces) elif style == "pep440-post": rendered = render_pep440_post(pieces) elif style == "pep440-old": rendered = render_pep440_old(pieces) elif style == "git-describe": rendered = render_git_describe(pieces) elif style == "git-describe-long": rendered = render_git_describe_long(pieces) else: raise ValueError("unknown style '%%s'" %% style) return {"version": rendered, "full-revisionid": pieces["long"], "dirty": pieces["dirty"], "error": None, "date": pieces.get("date")} def get_versions(): """Get version information or return default if unable to do so.""" # I am in _version.py, which lives at ROOT/VERSIONFILE_SOURCE. If we have # __file__, we can work backwards from there to the root. Some # py2exe/bbfreeze/non-CPython implementations don't do __file__, in which # case we can only use expanded keywords. cfg = get_config() verbose = cfg.verbose try: return git_versions_from_keywords(get_keywords(), cfg.tag_prefix, verbose) except NotThisMethod: pass try: root = os.path.realpath(__file__) # versionfile_source is the relative path from the top of the source # tree (where the .git directory might live) to this file. Invert # this to find the root from __file__. for i in cfg.versionfile_source.split('/'): root = os.path.dirname(root) except NameError: return {"version": "0+unknown", "full-revisionid": None, "dirty": None, "error": "unable to find root of source tree", "date": None} try: pieces = git_pieces_from_vcs(cfg.tag_prefix, root, verbose) return render(pieces, cfg.style) except NotThisMethod: pass try: if cfg.parentdir_prefix: return versions_from_parentdir(cfg.parentdir_prefix, root, verbose) except NotThisMethod: pass return {"version": "0+unknown", "full-revisionid": None, "dirty": None, "error": "unable to compute version", "date": None} ''' @register_vcs_handler("git", "get_keywords") def git_get_keywords(versionfile_abs): """Extract version information from the given file.""" # the code embedded in _version.py can just fetch the value of these # keywords. When used from setup.py, we don't want to import _version.py, # so we do it with a regexp instead. This function is not used from # _version.py. keywords = {} try: f = open(versionfile_abs, "r") for line in f.readlines(): if line.strip().startswith("git_refnames ="): mo = re.search(r'=\s*"(.*)"', line) if mo: keywords["refnames"] = mo.group(1) if line.strip().startswith("git_full ="): mo = re.search(r'=\s*"(.*)"', line) if mo: keywords["full"] = mo.group(1) if line.strip().startswith("git_date ="): mo = re.search(r'=\s*"(.*)"', line) if mo: keywords["date"] = mo.group(1) f.close() except EnvironmentError: pass return keywords @register_vcs_handler("git", "keywords") def git_versions_from_keywords(keywords, tag_prefix, verbose): """Get version information from git keywords.""" if not keywords: raise NotThisMethod("no keywords at all, weird") date = keywords.get("date") if date is not None: # git-2.2.0 added "%cI", which expands to an ISO-8601 -compliant # datestamp. However we prefer "%ci" (which expands to an "ISO-8601 # -like" string, which we must then edit to make compliant), because # it's been around since git-1.5.3, and it's too difficult to # discover which version we're using, or to work around using an # older one. date = date.strip().replace(" ", "T", 1).replace(" ", "", 1) refnames = keywords["refnames"].strip() if refnames.startswith("$Format"): if verbose: print("keywords are unexpanded, not using") raise NotThisMethod("unexpanded keywords, not a git-archive tarball") refs = set([r.strip() for r in refnames.strip("()").split(",")]) # starting in git-1.8.3, tags are listed as "tag: foo-1.0" instead of # just "foo-1.0". If we see a "tag: " prefix, prefer those. TAG = "tag: " tags = set([r[len(TAG):] for r in refs if r.startswith(TAG)]) if not tags: # Either we're using git < 1.8.3, or there really are no tags. We use # a heuristic: assume all version tags have a digit. The old git %d # expansion behaves like git log --decorate=short and strips out the # refs/heads/ and refs/tags/ prefixes that would let us distinguish # between branches and tags. By ignoring refnames without digits, we # filter out many common branch names like "release" and # "stabilization", as well as "HEAD" and "master". tags = set([r for r in refs if re.search(r'\d', r)]) if verbose: print("discarding '%s', no digits" % ",".join(refs - tags)) if verbose: print("likely tags: %s" % ",".join(sorted(tags))) for ref in sorted(tags): # sorting will prefer e.g. "2.0" over "2.0rc1" if ref.startswith(tag_prefix): r = ref[len(tag_prefix):] if verbose: print("picking %s" % r) return {"version": r, "full-revisionid": keywords["full"].strip(), "dirty": False, "error": None, "date": date} # no suitable tags, so version is "0+unknown", but full hex is still there if verbose: print("no suitable tags, using unknown + full revision id") return {"version": "0+unknown", "full-revisionid": keywords["full"].strip(), "dirty": False, "error": "no suitable tags", "date": None} @register_vcs_handler("git", "pieces_from_vcs") def git_pieces_from_vcs(tag_prefix, root, verbose, run_command=run_command): """Get version from 'git describe' in the root of the source tree. This only gets called if the git-archive 'subst' keywords were *not* expanded, and _version.py hasn't already been rewritten with a short version string, meaning we're inside a checked out source tree. """ GITS = ["git"] if sys.platform == "win32": GITS = ["git.cmd", "git.exe"] out, rc = run_command(GITS, ["rev-parse", "--git-dir"], cwd=root, hide_stderr=True) if rc != 0: if verbose: print("Directory %s not under git control" % root) raise NotThisMethod("'git rev-parse --git-dir' returned error") # if there is a tag matching tag_prefix, this yields TAG-NUM-gHEX[-dirty] # if there isn't one, this yields HEX[-dirty] (no NUM) describe_out, rc = run_command(GITS, ["describe", "--tags", "--dirty", "--always", "--long", "--match", "%s*" % tag_prefix], cwd=root) # --long was added in git-1.5.5 if describe_out is None: raise NotThisMethod("'git describe' failed") describe_out = describe_out.strip() full_out, rc = run_command(GITS, ["rev-parse", "HEAD"], cwd=root) if full_out is None: raise NotThisMethod("'git rev-parse' failed") full_out = full_out.strip() pieces = {} pieces["long"] = full_out pieces["short"] = full_out[:7] # maybe improved later pieces["error"] = None # parse describe_out. It will be like TAG-NUM-gHEX[-dirty] or HEX[-dirty] # TAG might have hyphens. git_describe = describe_out # look for -dirty suffix dirty = git_describe.endswith("-dirty") pieces["dirty"] = dirty if dirty: git_describe = git_describe[:git_describe.rindex("-dirty")] # now we have TAG-NUM-gHEX or HEX if "-" in git_describe: # TAG-NUM-gHEX mo = re.search(r'^(.+)-(\d+)-g([0-9a-f]+)$', git_describe) if not mo: # unparseable. Maybe git-describe is misbehaving? pieces["error"] = ("unable to parse git-describe output: '%s'" % describe_out) return pieces # tag full_tag = mo.group(1) if not full_tag.startswith(tag_prefix): if verbose: fmt = "tag '%s' doesn't start with prefix '%s'" print(fmt % (full_tag, tag_prefix)) pieces["error"] = ("tag '%s' doesn't start with prefix '%s'" % (full_tag, tag_prefix)) return pieces pieces["closest-tag"] = full_tag[len(tag_prefix):] # distance: number of commits since tag pieces["distance"] = int(mo.group(2)) # commit: short hex revision ID pieces["short"] = mo.group(3) else: # HEX: no tags pieces["closest-tag"] = None count_out, rc = run_command(GITS, ["rev-list", "HEAD", "--count"], cwd=root) pieces["distance"] = int(count_out) # total number of commits # commit date: see ISO-8601 comment in git_versions_from_keywords() date = run_command(GITS, ["show", "-s", "--format=%ci", "HEAD"], cwd=root)[0].strip() pieces["date"] = date.strip().replace(" ", "T", 1).replace(" ", "", 1) return pieces def do_vcs_install(manifest_in, versionfile_source, ipy): """Git-specific installation logic for Versioneer. For Git, this means creating/changing .gitattributes to mark _version.py for export-subst keyword substitution. """ GITS = ["git"] if sys.platform == "win32": GITS = ["git.cmd", "git.exe"] files = [manifest_in, versionfile_source] if ipy: files.append(ipy) try: me = __file__ if me.endswith(".pyc") or me.endswith(".pyo"): me = os.path.splitext(me)[0] + ".py" versioneer_file = os.path.relpath(me) except NameError: versioneer_file = "versioneer.py" files.append(versioneer_file) present = False try: f = open(".gitattributes", "r") for line in f.readlines(): if line.strip().startswith(versionfile_source): if "export-subst" in line.strip().split()[1:]: present = True f.close() except EnvironmentError: pass if not present: f = open(".gitattributes", "a+") f.write("%s export-subst\n" % versionfile_source) f.close() files.append(".gitattributes") run_command(GITS, ["add", "--"] + files) def versions_from_parentdir(parentdir_prefix, root, verbose): """Try to determine the version from the parent directory name. Source tarballs conventionally unpack into a directory that includes both the project name and a version string. We will also support searching up two directory levels for an appropriately named parent directory """ rootdirs = [] for i in range(3): dirname = os.path.basename(root) if dirname.startswith(parentdir_prefix): return {"version": dirname[len(parentdir_prefix):], "full-revisionid": None, "dirty": False, "error": None, "date": None} else: rootdirs.append(root) root = os.path.dirname(root) # up a level if verbose: print("Tried directories %s but none started with prefix %s" % (str(rootdirs), parentdir_prefix)) raise NotThisMethod("rootdir doesn't start with parentdir_prefix") SHORT_VERSION_PY = """ # This file was generated by 'versioneer.py' (0.18) from # revision-control system data, or from the parent directory name of an # unpacked source archive. Distribution tarballs contain a pre-generated copy # of this file. import json version_json = ''' %s ''' # END VERSION_JSON def get_versions(): return json.loads(version_json) """ def versions_from_file(filename): """Try to determine the version from _version.py if present.""" try: with open(filename) as f: contents = f.read() except EnvironmentError: raise NotThisMethod("unable to read _version.py") mo = re.search(r"version_json = '''\n(.*)''' # END VERSION_JSON", contents, re.M | re.S) if not mo: mo = re.search(r"version_json = '''\r\n(.*)''' # END VERSION_JSON", contents, re.M | re.S) if not mo: raise NotThisMethod("no version_json in _version.py") return json.loads(mo.group(1)) def write_to_version_file(filename, versions): """Write the given version number to the given _version.py file.""" os.unlink(filename) contents = json.dumps(versions, sort_keys=True, indent=1, separators=(",", ": ")) with open(filename, "w") as f: f.write(SHORT_VERSION_PY % contents) print("set %s to '%s'" % (filename, versions["version"])) def plus_or_dot(pieces): """Return a + if we don't already have one, else return a .""" if "+" in pieces.get("closest-tag", ""): return "." return "+" def render_pep440(pieces): """Build up version string, with post-release "local version identifier". Our goal: TAG[+DISTANCE.gHEX[.dirty]] . Note that if you get a tagged build and then dirty it, you'll get TAG+0.gHEX.dirty Exceptions: 1: no tags. git_describe was just HEX. 0+untagged.DISTANCE.gHEX[.dirty] """ if pieces["closest-tag"]: rendered = pieces["closest-tag"] if pieces["distance"] or pieces["dirty"]: rendered += plus_or_dot(pieces) rendered += "%d.g%s" % (pieces["distance"], pieces["short"]) if pieces["dirty"]: rendered += ".dirty" else: # exception #1 rendered = "0+untagged.%d.g%s" % (pieces["distance"], pieces["short"]) if pieces["dirty"]: rendered += ".dirty" return rendered def render_pep440_pre(pieces): """TAG[.post.devDISTANCE] -- No -dirty. Exceptions: 1: no tags. 0.post.devDISTANCE """ if pieces["closest-tag"]: rendered = pieces["closest-tag"] if pieces["distance"]: rendered += ".post.dev%d" % pieces["distance"] else: # exception #1 rendered = "0.post.dev%d" % pieces["distance"] return rendered def render_pep440_post(pieces): """TAG[.postDISTANCE[.dev0]+gHEX] . The ".dev0" means dirty. Note that .dev0 sorts backwards (a dirty tree will appear "older" than the corresponding clean one), but you shouldn't be releasing software with -dirty anyways. Exceptions: 1: no tags. 0.postDISTANCE[.dev0] """ if pieces["closest-tag"]: rendered = pieces["closest-tag"] if pieces["distance"] or pieces["dirty"]: rendered += ".post%d" % pieces["distance"] if pieces["dirty"]: rendered += ".dev0" rendered += plus_or_dot(pieces) rendered += "g%s" % pieces["short"] else: # exception #1 rendered = "0.post%d" % pieces["distance"] if pieces["dirty"]: rendered += ".dev0" rendered += "+g%s" % pieces["short"] return rendered def render_pep440_old(pieces): """TAG[.postDISTANCE[.dev0]] . The ".dev0" means dirty. Eexceptions: 1: no tags. 0.postDISTANCE[.dev0] """ if pieces["closest-tag"]: rendered = pieces["closest-tag"] if pieces["distance"] or pieces["dirty"]: rendered += ".post%d" % pieces["distance"] if pieces["dirty"]: rendered += ".dev0" else: # exception #1 rendered = "0.post%d" % pieces["distance"] if pieces["dirty"]: rendered += ".dev0" return rendered def render_git_describe(pieces): """TAG[-DISTANCE-gHEX][-dirty]. Like 'git describe --tags --dirty --always'. Exceptions: 1: no tags. HEX[-dirty] (note: no 'g' prefix) """ if pieces["closest-tag"]: rendered = pieces["closest-tag"] if pieces["distance"]: rendered += "-%d-g%s" % (pieces["distance"], pieces["short"]) else: # exception #1 rendered = pieces["short"] if pieces["dirty"]: rendered += "-dirty" return rendered def render_git_describe_long(pieces): """TAG-DISTANCE-gHEX[-dirty]. Like 'git describe --tags --dirty --always -long'. The distance/hash is unconditional. Exceptions: 1: no tags. HEX[-dirty] (note: no 'g' prefix) """ if pieces["closest-tag"]: rendered = pieces["closest-tag"] rendered += "-%d-g%s" % (pieces["distance"], pieces["short"]) else: # exception #1 rendered = pieces["short"] if pieces["dirty"]: rendered += "-dirty" return rendered def render(pieces, style): """Render the given version pieces into the requested style.""" if pieces["error"]: return {"version": "unknown", "full-revisionid": pieces.get("long"), "dirty": None, "error": pieces["error"], "date": None} if not style or style == "default": style = "pep440" # the default if style == "pep440": rendered = render_pep440(pieces) elif style == "pep440-pre": rendered = render_pep440_pre(pieces) elif style == "pep440-post": rendered = render_pep440_post(pieces) elif style == "pep440-old": rendered = render_pep440_old(pieces) elif style == "git-describe": rendered = render_git_describe(pieces) elif style == "git-describe-long": rendered = render_git_describe_long(pieces) else: raise ValueError("unknown style '%s'" % style) return {"version": rendered, "full-revisionid": pieces["long"], "dirty": pieces["dirty"], "error": None, "date": pieces.get("date")} class VersioneerBadRootError(Exception): """The project root directory is unknown or missing key files.""" def get_versions(verbose=False): """Get the project version from whatever source is available. Returns dict with two keys: 'version' and 'full'. """ if "versioneer" in sys.modules: # see the discussion in cmdclass.py:get_cmdclass() del sys.modules["versioneer"] root = get_root() cfg = get_config_from_root(root) assert cfg.VCS is not None, "please set [versioneer]VCS= in setup.cfg" handlers = HANDLERS.get(cfg.VCS) assert handlers, "unrecognized VCS '%s'" % cfg.VCS verbose = verbose or cfg.verbose assert cfg.versionfile_source is not None, \ "please set versioneer.versionfile_source" assert cfg.tag_prefix is not None, "please set versioneer.tag_prefix" versionfile_abs = os.path.join(root, cfg.versionfile_source) # extract version from first of: _version.py, VCS command (e.g. 'git # describe'), parentdir. This is meant to work for developers using a # source checkout, for users of a tarball created by 'setup.py sdist', # and for users of a tarball/zipball created by 'git archive' or github's # download-from-tag feature or the equivalent in other VCSes. get_keywords_f = handlers.get("get_keywords") from_keywords_f = handlers.get("keywords") if get_keywords_f and from_keywords_f: try: keywords = get_keywords_f(versionfile_abs) ver = from_keywords_f(keywords, cfg.tag_prefix, verbose) if verbose: print("got version from expanded keyword %s" % ver) return ver except NotThisMethod: pass try: ver = versions_from_file(versionfile_abs) if verbose: print("got version from file %s %s" % (versionfile_abs, ver)) return ver except NotThisMethod: pass from_vcs_f = handlers.get("pieces_from_vcs") if from_vcs_f: try: pieces = from_vcs_f(cfg.tag_prefix, root, verbose) ver = render(pieces, cfg.style) if verbose: print("got version from VCS %s" % ver) return ver except NotThisMethod: pass try: if cfg.parentdir_prefix: ver = versions_from_parentdir(cfg.parentdir_prefix, root, verbose) if verbose: print("got version from parentdir %s" % ver) return ver except NotThisMethod: pass if verbose: print("unable to compute version") return {"version": "0+unknown", "full-revisionid": None, "dirty": None, "error": "unable to compute version", "date": None} def get_version(): """Get the short version string for this project.""" return get_versions()["version"] def get_cmdclass(): """Get the custom setuptools/distutils subclasses used by Versioneer.""" if "versioneer" in sys.modules: del sys.modules["versioneer"] # this fixes the "python setup.py develop" case (also 'install' and # 'easy_install .'), in which subdependencies of the main project are # built (using setup.py bdist_egg) in the same python process. Assume # a main project A and a dependency B, which use different versions # of Versioneer. A's setup.py imports A's Versioneer, leaving it in # sys.modules by the time B's setup.py is executed, causing B to run # with the wrong versioneer. Setuptools wraps the sub-dep builds in a # sandbox that restores sys.modules to it's pre-build state, so the # parent is protected against the child's "import versioneer". By # removing ourselves from sys.modules here, before the child build # happens, we protect the child from the parent's versioneer too. # Also see https://github.com/warner/python-versioneer/issues/52 cmds = {} # we add "version" to both distutils and setuptools from distutils.core import Command class cmd_version(Command): description = "report generated version string" user_options = [] boolean_options = [] def initialize_options(self): pass def finalize_options(self): pass def run(self): vers = get_versions(verbose=True) print("Version: %s" % vers["version"]) print(" full-revisionid: %s" % vers.get("full-revisionid")) print(" dirty: %s" % vers.get("dirty")) print(" date: %s" % vers.get("date")) if vers["error"]: print(" error: %s" % vers["error"]) cmds["version"] = cmd_version # we override "build_py" in both distutils and setuptools # # most invocation pathways end up running build_py: # distutils/build -> build_py # distutils/install -> distutils/build ->.. # setuptools/bdist_wheel -> distutils/install ->.. # setuptools/bdist_egg -> distutils/install_lib -> build_py # setuptools/install -> bdist_egg ->.. # setuptools/develop -> ? # pip install: # copies source tree to a tempdir before running egg_info/etc # if .git isn't copied too, 'git describe' will fail # then does setup.py bdist_wheel, or sometimes setup.py install # setup.py egg_info -> ? # we override different "build_py" commands for both environments if "setuptools" in sys.modules: from setuptools.command.build_py import build_py as _build_py else: from distutils.command.build_py import build_py as _build_py class cmd_build_py(_build_py): def run(self): root = get_root() cfg = get_config_from_root(root) versions = get_versions() _build_py.run(self) # now locate _version.py in the new build/ directory and replace # it with an updated value if cfg.versionfile_build: target_versionfile = os.path.join(self.build_lib, cfg.versionfile_build) print("UPDATING %s" % target_versionfile) write_to_version_file(target_versionfile, versions) cmds["build_py"] = cmd_build_py if "cx_Freeze" in sys.modules: # cx_freeze enabled? from cx_Freeze.dist import build_exe as _build_exe # nczeczulin reports that py2exe won't like the pep440-style string # as FILEVERSION, but it can be used for PRODUCTVERSION, e.g. # setup(console=[{ # "version": versioneer.get_version().split("+", 1)[0], # FILEVERSION # "product_version": versioneer.get_version(), # ... class cmd_build_exe(_build_exe): def run(self): root = get_root() cfg = get_config_from_root(root) versions = get_versions() target_versionfile = cfg.versionfile_source print("UPDATING %s" % target_versionfile) write_to_version_file(target_versionfile, versions) _build_exe.run(self) os.unlink(target_versionfile) with open(cfg.versionfile_source, "w") as f: LONG = LONG_VERSION_PY[cfg.VCS] f.write(LONG % {"DOLLAR": "$", "STYLE": cfg.style, "TAG_PREFIX": cfg.tag_prefix, "PARENTDIR_PREFIX": cfg.parentdir_prefix, "VERSIONFILE_SOURCE": cfg.versionfile_source, }) cmds["build_exe"] = cmd_build_exe del cmds["build_py"] if 'py2exe' in sys.modules: # py2exe enabled? try: from py2exe.distutils_buildexe import py2exe as _py2exe # py3 except ImportError: from py2exe.build_exe import py2exe as _py2exe # py2 class cmd_py2exe(_py2exe): def run(self): root = get_root() cfg = get_config_from_root(root) versions = get_versions() target_versionfile = cfg.versionfile_source print("UPDATING %s" % target_versionfile) write_to_version_file(target_versionfile, versions) _py2exe.run(self) os.unlink(target_versionfile) with open(cfg.versionfile_source, "w") as f: LONG = LONG_VERSION_PY[cfg.VCS] f.write(LONG % {"DOLLAR": "$", "STYLE": cfg.style, "TAG_PREFIX": cfg.tag_prefix, "PARENTDIR_PREFIX": cfg.parentdir_prefix, "VERSIONFILE_SOURCE": cfg.versionfile_source, }) cmds["py2exe"] = cmd_py2exe # we override different "sdist" commands for both environments if "setuptools" in sys.modules: from setuptools.command.sdist import sdist as _sdist else: from distutils.command.sdist import sdist as _sdist class cmd_sdist(_sdist): def run(self): versions = get_versions() self._versioneer_generated_versions = versions # unless we update this, the command will keep using the old # version self.distribution.metadata.version = versions["version"] return _sdist.run(self) def make_release_tree(self, base_dir, files): root = get_root() cfg = get_config_from_root(root) _sdist.make_release_tree(self, base_dir, files) # now locate _version.py in the new base_dir directory # (remembering that it may be a hardlink) and replace it with an # updated value target_versionfile = os.path.join(base_dir, cfg.versionfile_source) print("UPDATING %s" % target_versionfile) write_to_version_file(target_versionfile, self._versioneer_generated_versions) cmds["sdist"] = cmd_sdist return cmds CONFIG_ERROR = """ setup.cfg is missing the necessary Versioneer configuration. You need a section like: [versioneer] VCS = git style = pep440 versionfile_source = src/myproject/_version.py versionfile_build = myproject/_version.py tag_prefix = parentdir_prefix = myproject- You will also need to edit your setup.py to use the results: import versioneer setup(version=versioneer.get_version(), cmdclass=versioneer.get_cmdclass(), ...) Please read the docstring in ./versioneer.py for configuration instructions, edit setup.cfg, and re-run the installer or 'python versioneer.py setup'. """ SAMPLE_CONFIG = """ # See the docstring in versioneer.py for instructions. Note that you must # re-run 'versioneer.py setup' after changing this section, and commit the # resulting files. [versioneer] #VCS = git #style = pep440 #versionfile_source = #versionfile_build = #tag_prefix = #parentdir_prefix = """ INIT_PY_SNIPPET = """ from ._version import get_versions __version__ = get_versions()['version'] del get_versions """ def do_setup(): """Main VCS-independent setup function for installing Versioneer.""" root = get_root() try: cfg = get_config_from_root(root) except (EnvironmentError, configparser.NoSectionError, configparser.NoOptionError) as e: if isinstance(e, (EnvironmentError, configparser.NoSectionError)): print("Adding sample versioneer config to setup.cfg", file=sys.stderr) with open(os.path.join(root, "setup.cfg"), "a") as f: f.write(SAMPLE_CONFIG) print(CONFIG_ERROR, file=sys.stderr) return 1 print(" creating %s" % cfg.versionfile_source) with open(cfg.versionfile_source, "w") as f: LONG = LONG_VERSION_PY[cfg.VCS] f.write(LONG % {"DOLLAR": "$", "STYLE": cfg.style, "TAG_PREFIX": cfg.tag_prefix, "PARENTDIR_PREFIX": cfg.parentdir_prefix, "VERSIONFILE_SOURCE": cfg.versionfile_source, }) ipy = os.path.join(os.path.dirname(cfg.versionfile_source), "__init__.py") if os.path.exists(ipy): try: with open(ipy, "r") as f: old = f.read() except EnvironmentError: old = "" if INIT_PY_SNIPPET not in old: print(" appending to %s" % ipy) with open(ipy, "a") as f: f.write(INIT_PY_SNIPPET) else: print(" %s unmodified" % ipy) else: print(" %s doesn't exist, ok" % ipy) ipy = None # Make sure both the top-level "versioneer.py" and versionfile_source # (PKG/_version.py, used by runtime code) are in MANIFEST.in, so # they'll be copied into source distributions. Pip won't be able to # install the package without this. manifest_in = os.path.join(root, "MANIFEST.in") simple_includes = set() try: with open(manifest_in, "r") as f: for line in f: if line.startswith("include "): for include in line.split()[1:]: simple_includes.add(include) except EnvironmentError: pass # That doesn't cover everything MANIFEST.in can do # (http://docs.python.org/2/distutils/sourcedist.html#commands), so # it might give some false negatives. Appending redundant 'include' # lines is safe, though. if "versioneer.py" not in simple_includes: print(" appending 'versioneer.py' to MANIFEST.in") with open(manifest_in, "a") as f: f.write("include versioneer.py\n") else: print(" 'versioneer.py' already in MANIFEST.in") if cfg.versionfile_source not in simple_includes: print(" appending versionfile_source ('%s') to MANIFEST.in" % cfg.versionfile_source) with open(manifest_in, "a") as f: f.write("include %s\n" % cfg.versionfile_source) else: print(" versionfile_source already in MANIFEST.in") # Make VCS-specific changes. For git, this means creating/changing # .gitattributes to mark _version.py for export-subst keyword # substitution. do_vcs_install(manifest_in, cfg.versionfile_source, ipy) return 0 def scan_setup_py(): """Validate the contents of setup.py against Versioneer's expectations.""" found = set() setters = False errors = 0 with open("setup.py", "r") as f: for line in f.readlines(): if "import versioneer" in line: found.add("import") if "versioneer.get_cmdclass()" in line: found.add("cmdclass") if "versioneer.get_version()" in line: found.add("get_version") if "versioneer.VCS" in line: setters = True if "versioneer.versionfile_source" in line: setters = True if len(found) != 3: print("") print("Your setup.py appears to be missing some important items") print("(but I might be wrong). Please make sure it has something") print("roughly like the following:") print("") print(" import versioneer") print(" setup( version=versioneer.get_version(),") print(" cmdclass=versioneer.get_cmdclass(), ...)") print("") errors += 1 if setters: print("You should remove lines like 'versioneer.VCS = ' and") print("'versioneer.versionfile_source = ' . This configuration") print("now lives in setup.cfg, and should be removed from setup.py") print("") errors += 1 return errors if __name__ == "__main__": cmd = sys.argv[1] if cmd == "setup": errors = do_setup() errors += scan_setup_py() if errors: sys.exit(1)
alchemistry/alchemlyb
versioneer.py
Python
bsd-3-clause
68,573
[ "Brian" ]
797d2ae0c8391ce801fb2363238d3cef45090af9fd2e6202325921023c27cd8d
from struct import pack, unpack import SimpleHTTPServer import SocketServer import sys import json import importlib PORT = 8052 class MyRequestHandler(SimpleHTTPServer.SimpleHTTPRequestHandler): def handleGameStringApi(self): global backend self.send_response(200) self.send_header('Content-type','text/html') self.send_header('Access-Control-Allow-Origin', 'http://44670.org') self.end_headers() ret = backend.readGameStringForHttpApi() if (ret is None): ret = {'status': 'failed'} else: lastSuccessReadForHttpApi = ret self.wfile.write(json.dumps(ret)) return #def log_message(self, format, *args): #return def do_GET(self): if self.path.startswith('/str'): self.handleGameStringApi() return if self.path == '/': self.path = 'index.html' return SimpleHTTPServer.SimpleHTTPRequestHandler.do_GET(self) if len(sys.argv) < 2: print(""" Usage: python server.py backend_name Example: python server.py psp.lxzs1 """) exit(0) backend = importlib.import_module('backends.' + sys.argv[1]) Handler = MyRequestHandler httpd = SocketServer.TCPServer(("", PORT), Handler) print "Text extraction service started at port: ", PORT print "Visit http://44670.org/fanyi for translations!" httpd.serve_forever()
44670/buyonghenmafanhenleijiunengfanyiyouxi
server.py
Python
gpl-3.0
1,447
[ "VisIt" ]
79f8c76ab38f54dd430ae9b3afd67b8d57600145dac488b25780487da8cc849b
# -*- coding: utf-8 -*- # # pymicro documentation build configuration file, created by # sphinx-quickstart on Tue Oct 22 11:17:23 2013. # # This file is execfile()d with the current directory set to its containing dir. # # Note that not all possible configuration values are present in this # autogenerated file. # # All configuration values have a default; values that are commented out # serve to show the default. import sys, os import mock MOCK_MODULES = ['numpy', 'scipy', 'scipy.special', 'matplotlib', 'matplotlib.pyplot', 'matplotlib.image', 'matplotlib.cm', 'matplotlib.colors', 'matplotlib.figure', 'matplotlib.backend_bases', 'matplotlib.backends.backend_qt4agg', 'scipy.ndimage', 'wx', 'wx.Panel', 'vtk', 'vtk.util', 'vtk.util.colors', 'skimage', 'skimage.transform', '_tifffile', 'h5py', 'tables', 'lxml', 'lxml.builder', 'BasicTools', 'BasicTools.Containers', 'BasicTools.Containers.ConstantRectilinearMesh', 'BasicTools.Containers.UnstructuredMesh', 'BasicTools.Containers.UnstructuredMeshCreationTools', 'BasicTools.Containers.MeshBase','BasicTools.IO', 'BasicTools.IO.XdmfTools', 'PyQt5', 'PyQt5.QtWidgets', 'PyQt5.QtCore'] # , 'ImPanel', 'PlotPanel'] for mod_name in MOCK_MODULES: sys.modules[mod_name] = mock.Mock() # If extensions (or modules to document with autodoc) are in another directory, # add these directories to sys.path here. If the directory is relative to the # documentation root, use os.path.abspath to make it absolute, like shown here. sys.path.insert(0, os.path.abspath('..')) sys.path.append(os.path.abspath('sphinxext')) print(sys.path) print('content of .') print(os.listdir('.')) print('content of ..') print(os.listdir('..')) print('content of ../..') print(os.listdir('../..')) try: import pymicro print('** successfully imported pymicro') from pymicro.crystal.lattice import Lattice print('** successfully imported Lattice') except: print('problem during import') pass try: import gen_rst print('** successfully imported gen_rst') except: pass # -- General configuration ----------------------------------------------------- # Add any paths that contain templates here, relative to this directory. templates_path = ['_templates'] # If your documentation needs a minimal Sphinx version, state it here. needs_sphinx = '1.1' # Add any Sphinx extension module names here, as strings. They can be extensions # coming with Sphinx (named 'sphinx.ext.*') or your custom ones. extensions = ['sphinx.ext.autodoc', 'sphinx.ext.autosummary', 'sphinx.ext.mathjax', 'sphinxcontrib.bibtex', 'gen_rst', 'nbsphinx'] bibtex_bibfiles = ['bibliography.bib'] mathjax_path = 'https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.0/MathJax.js?config=TeX-AMS-MML_HTMLorMML' autodoc_member_order = 'bysource' autodoc_default_flags = ['members', 'special-members', 'undoc-members', 'show-inheritance'] autosummary_generate = True # The suffix of source filenames. source_suffix = '.rst' # The encoding of source files. # source_encoding = 'utf-8-sig' # The master toctree document. master_doc = 'index' # General information about the project. project = u'pymicro' copyright = u'2013-2020, Henry Proudhon' # The project version is extracted from the main __init__.py def extract_version(): """ Extracts version values from the main __init__.py and returns them as a dictionary. """ with open('../pymicro/__init__.py') as fd: for line in fd.readlines(): if (line.startswith('__version__')): exec (line.strip()) return locals()["__version__"] version = '%s' % extract_version() # The full version, including alpha/beta/rc tags. release = version # The language for content autogenerated by Sphinx. Refer to documentation # for a list of supported languages. # language = None # There are two options for replacing |today|: either, you set today to some # non-false value, then it is used: # today = '' # Else, today_fmt is used as the format for a strftime call. today_fmt = '%B %d, %Y' # List of patterns, relative to source directory, that match files and # directories to ignore when looking for source files. exclude_patterns = ['_build', '**.ipynb_checkpoints'] # The reST default role (used for this markup: `text`) to use for all documents. # default_role = None # If true, '()' will be appended to :func: etc. cross-reference text. # add_function_parentheses = True # If true, the current module name will be prepended to all description # unit titles (such as .. function::). # add_module_names = True # If true, sectionauthor and moduleauthor directives will be shown in the # output. They are ignored by default. # show_authors = False # The name of the Pygments (syntax highlighting) style to use. pygments_style = 'sphinx' # A list of ignored prefixes for module index sorting. # modindex_common_prefix = [] # -- Options for HTML output --------------------------------------------------- # The theme to use for HTML and HTML Help pages. print(os.environ) if not 'READTHEDOCS' in os.environ.keys(): # if building locally html_theme = 'sphinx_rtd_theme' html_theme_path = ["../../sphinx_rtd_theme"] # the theme should be installed aside the pymicro folder # Theme options are theme-specific and customize the look and feel of a theme # further. For a list of options available for each theme, see the # documentation. html_theme_options = {} html_theme_options['canonical_url'] = 'http://pymicro.readthedocs.io/en/latest/' # The name for this set of Sphinx documents. If None, it defaults to # "<project> v<release> documentation". # html_title = None # A shorter title for the navigation bar. Default is the same as html_title. # html_short_title = None # The name of an image file (relative to this directory) to place at the top # of the sidebar. # html_logo = None # The name of an image file (within the static path) to use as favicon of the # docs. This file should be a Windows icon file (.ico) being 16x16 or 32x32 # pixels large. # html_favicon = None # Add any paths that contain custom static files (such as style sheets) here, # relative to this directory. They are copied after the builtin static files, # so a file named "default.css" will overwrite the builtin "default.css". html_static_path = ['_static'] # If not '', a 'Last updated on:' timestamp is inserted at every page bottom, # using the given strftime format. # html_last_updated_fmt = '%b %d, %Y' # If true, SmartyPants will be used to convert quotes and dashes to # typographically correct entities. # html_use_smartypants = True # Custom sidebar templates, maps document names to template names. # html_sidebars = {} # Additional templates that should be rendered to pages, maps page names to # template names. # html_additional_pages = {} # If false, no module index is generated. # html_domain_indices = True # If false, no index is generated. # html_use_index = True # If true, the index is split into individual pages for each letter. # html_split_index = False # If true, links to the reST sources are added to the pages. # html_show_sourcelink = True # If true, "Created using Sphinx" is shown in the HTML footer. Default is True. # html_show_sphinx = True # If true, "(C) Copyright ..." is shown in the HTML footer. Default is True. # html_show_copyright = True # If true, an OpenSearch description file will be output, and all pages will # contain a <link> tag referring to it. The value of this option must be the # base URL from which the finished HTML is served. # html_use_opensearch = '' # This is the file name suffix for HTML files (e.g. ".xhtml"). # html_file_suffix = None # Output file base name for HTML help builder. htmlhelp_basename = 'pymicrodoc' # -- Options for LaTeX output -------------------------------------------------- # The paper size ('letter' or 'a4'). # latex_paper_size = 'letter' # The font size ('10pt', '11pt' or '12pt'). # latex_font_size = '10pt' # Grouping the document tree into LaTeX files. List of tuples # (source start file, target name, title, author, documentclass [howto/manual]). latex_documents = [ ('index', 'pymicro.tex', u'pymicro Documentation', u'Henry Proudhon', 'manual'), ] # The name of an image file (relative to this directory) to place at the top of # the title page. # latex_logo = None # For "manual" documents, if this is true, then toplevel headings are parts, # not chapters. # latex_use_parts = False # If true, show page references after internal links. # latex_show_pagerefs = False # If true, show URL addresses after external links. # latex_show_urls = False # Additional stuff for the LaTeX preamble. # latex_preamble = '' # Documents to append as an appendix to all manuals. # latex_appendices = [] # If false, no module index is generated. # latex_domain_indices = True # -- Options for manual page output -------------------------------------------- # One entry per manual page. List of tuples # (source start file, name, description, authors, manual section). man_pages = [ ('index', 'pymicro', u'pymicro Documentation', [u'Henry Proudhon'], 1) ]
heprom/pymicro
docs/conf.py
Python
mit
9,419
[ "CRYSTAL", "VTK" ]
07994fdebd0ff6928498e6678887937eb8972ff432c5f38923896b0e1b08b034
# coding=utf-8 # Copyright 2018 The Tensor2Tensor Authors. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Hyperparameters and ranges common to multiple models.""" from __future__ import absolute_import from __future__ import division from __future__ import print_function from six.moves import zip # pylint: disable=redefined-builtin from tensor2tensor.utils import registry import tensorflow as tf @registry.register_hparams("basic_1") def basic_params1(): """A set of basic hyperparameters.""" return tf.contrib.training.HParams( # If the problem consists of variable-length sequences # (see problem.batch_size_means_tokens()), then this is the number # of tokens per batch per GPU or per TPU core. Otherwise, this is # the number of examples per GPU or per TPU core. batch_size=4096, batch_shuffle_size=512, # If True, then if the features are of variable length, the batch_size is # used as the actual batch size (and not tokens per batch). use_fixed_batch_size=False, num_hidden_layers=4, kernel_height=3, kernel_width=1, hidden_size=64, compress_steps=0, # All hyperparameters ending in "dropout" are automatically set to 0.0 # when not in training mode. dropout=0.2, clip_grad_norm=2.0, grad_noise_scale=0.0, summarize_grads=False, # Flag for whether mlperf mode is on mlperf_mode=False, # Whether to log the name and size of every variable summarize_vars=False, initializer="orthogonal", initializer_gain=1.5, label_smoothing=0.1, optimizer="Adam", optimizer_adam_epsilon=1e-6, optimizer_adam_beta1=0.85, optimizer_adam_beta2=0.997, optimizer_momentum_momentum=0.9, optimizer_momentum_nesterov=False, optimizer_adafactor_beta1=0.0, optimizer_adafactor_beta2=0.999, optimizer_adafactor_factored=True, optimizer_adafactor_decay_type="pow", optimizer_adafactor_memory_exponent=0.8, optimizer_adafactor_clipping_threshold=1.0, optimizer_adafactor_multiply_by_parameter_scale=True, # Number of accumulating steps for multi step optimizers. optimizer_multistep_accumulate_steps=None, weight_decay=1e-6, weight_noise=0.0, # Defines the learning rate as a product of named functions. # Available functions are listed in learning_rate._LEARNING_RATE_FUNCTIONS # e.g. "constant*linear_warmup*rsqrt_decay*rsqrt_hidden_size" learning_rate_schedule="legacy", learning_rate_constant=1.0, # If learning_rate_schedule=="legacy", # then we specify decay scheme here. Warmup is always exponential, # except with "noam" learning rate decay scheme. # see optimize.legacy_learning_rate_schedule() # TODO(noam): migrate everyone away from this. learning_rate_decay_scheme="none", # decay_steps and decay_staircase for learning_rate_decay_scheme=="exp" learning_rate_decay_steps=5000, learning_rate_decay_staircase=False, learning_rate_minimum=None, learning_rate_decay_rate=1.0, learning_rate_warmup_steps=100, learning_rate_cosine_cycle_steps=250000, learning_rate=0.1, sampling_method="argmax", # "argmax" or "random" sampling_temp=1.0, # temperature for sampling # expand the logits a piece at a time - saves memory. factored_logits=False, multiply_embedding_mode="sqrt_depth", # Parameters related to mixtures of experts. moe_hidden_sizes="2048", # hidden layer sizes (comma-separated) moe_num_experts=64, # number of experts per layer moe_k=2, # how many experts to use for each batch element moe_loss_coef=1e-2, # Sequences of operations to perform on layer input and layer output. # Used by common_layers.layer_preprocess, common_layers.layer_postprocess # Each character represents an operation: # none: no preprocessing # d: apply dropout # n: apply normalization (see norm_type and norm_epsilon) # a: add layer input (residual connection - only during postprocess) # The special string "none" is used instead of the empty string # to indicate no pre/postprocessing, since the empty string causes # trouble for hyperparameter tuning. # TODO(noam): The current settings ("", "dan") are the published version # of the transformer. ("n", "da") seems better for harder-to-learn # models, so it should probably be the default. layer_preprocess_sequence="none", layer_postprocess_sequence="dan", # dropout rate to use during layer_preprocess and layer_postprocess layer_prepostprocess_dropout=0.1, # broadcast dimensions for layer_prepostprocess_dropout # a comma-separated list of integers. # see common_layers.dropout_with_broadcast_dims() # Change this to "1" to save memory. layer_prepostprocess_dropout_broadcast_dims="", # dropout some symbols (set them to 0) before embedding. symbol_dropout=0.0, # What type of normalization to use norm_type="layer", # "batch", layer", "noam", "none". # epsilon parameter to normalization function norm_epsilon=1e-6, symbol_modality_num_shards=1, # pad vocabularies so that this value divides the vocabulary size. vocab_divisor=1, # During training, we drop sequences whose inputs and targets are shorter # than min_length min_length=0, # During training, we drop sequences whose inputs or targets are longer # than max_length. # If max_length==0, we use hparams.batch_size instead. max_length=0, # Maximum length in the smallest length bucket. Setting this # flag too high will result in wasteful padding of short # sequences. Due to some (hopefully) temporary hacks in the # data reading and batching code, setting this flag too low # results in a very long batch-shuffling queue. # TODO(noam): change this once the Datasets API changes. min_length_bucket=8, # This flag controls the number of length buckets in the data # reader. The buckets have maximum lengths from # min_bucket_length to (max_length or batch_size), increasing # (approximately) by factors of length_bucket_step. length_bucket_step=1.1, # If set to True, drop sequences longer than max_length during eval. # This affects the validity of the evaluation metrics. eval_drop_long_sequences=False, # If True, run the model autoregressively instead of teacher-forcing # during eval eval_run_autoregressive=False, # TODO(lukaszkaiser): these parameters should probably be set elsewhere. # (SymbolModality) - If this flag is on, we try to share all of the input # embeddings, the target embeddings and the softmax weights. shared_embedding_and_softmax_weights=False, # (SymbolModality) - If this flag is on, we try to share the input # embeddings and the target embeddings. # You can also share the input embeddings with the target embeddings # by using a problem_hparams that uses the same modality object for # the input modality and target modality. shared_embedding=False, # In SymbolModality, skip the top layer, assume we're providing logits. symbol_modality_skip_top=False, # Modalities used to map from features to a space compatible with # chosen model architecture. It comprises key-value pairs of a feature # name (str) and its modality class. modality={}, # The maximum length of "input" sequence. # Sequences longer than this value will be truncated. 0 or negative values # mean there is no maximum or truncation. # You can change this behavior by overriding preprocess_example() method # in your problem class. max_input_seq_length=0, # The maximum length of "target" sequence. # Sequences longer than this value will be truncated. 0 or negative values # mean there is no maximum or truncation. # You can change this behavior by overriding preprocess_example() method # in your problem class. max_target_seq_length=0, # if nonzero, we split the target sequences on example read. # This is for use with language modeling problems with fixed length # examples. e.g. The examples may be written with length 65536, but we # want to split each example into 64 examples of length 1024. split_to_length=0, # Video settings: how many frames to batch on input and targets. video_num_input_frames=1, video_num_target_frames=1, # This flag allows us to optionally treat a seq-to-seq problem # as a language model. Legal values are: # # "none" - Do not prepend the inputs to the targets. # "prepend_inputs_masked_attention" # replace "targets" in preprocessing with # tf.concat([inputs, [0], targets], axis=1) # i.e. we prepend the inputs to the targets with a single # padding token in between. Use masked self-attention on the # entire resulting sequence. During training, we compute losses on # the combined sequence. During eval, we compute the metrics # on only the targets portion. # "prepend_inputs_full_attention" # similar to the previous option except that each # position in the inputs portion can see the # entire inputs portion. This removes the challenge of # autoregressively predicting the inputs portion. prepend_mode="none", # Scheduled sampling is interesting for auto-regressive models. # It runs an additional step using the generated output as autoregressive # targets, which can improve the models inference results later. The # parameter scheduled_sampling_prob determines with what probability # will such additional step be run. It's turned off (0.0) by default. # This probability will exponentially warm up for the number of # steps determined by scheduled_sampling_warmup_steps. # The tensor used for the second step will consist of outputs from # the first step mixed with gold truth, with the proportion of gold # determined by scheduled_sampling_gold_mixin_prob. scheduled_sampling_prob=0.0, scheduled_sampling_warmup_steps=50000, scheduled_sampling_gold_mixin_prob=0.5, # This setting controls whether to copy variables around in a daisy chain # (if true) or leave their placement to TensorFlow. It only affects multi # device training and mostly should be turned on for performance. One # exception are recurrent models: with dynamic loops it must be off. daisy_chain_variables=True, # If True in PREDICT mode, then last-position-only optimizations are not # used. force_full_predict=False, # Set this for pure model parallelism. There is only one data shard. no_data_parallelism=False, # dtype used for activations. - "float32" or "bfloat16" # activation_dtype="bfloat16" currently only works on TPU. # It lowers activation-memory usage # and does not appear to affect quality. # You can train on TPU with activation_dtype="bfloat16" and evaluate # on CPU/GPU with activation_dtype="float32" activation_dtype="float32", # dtype used for parameters: "float32" or "bfloat16" # bfloat16 currently only works with optimizer="adafactor". # The savings in memory allow for training larger models. # Weights are encoded as (w*128)^8, using pseudostochastic # roundoff. Initial experiments show that model quality is similar # to baseline for about 3M training steps, but worse thereafter. weight_dtype="float32", # Directory containing a checkpoint for a pretrained model. This will only # be used if a new run is being started. Parameters not found in the # pretrained model will be randomly initialized. Superfluous parameters in # the pretrained model will be ignored. pretrained_model_dir="", # Threshold used for two cases: the primary task probability for the # constant mixing schedule, and the exponential schedule limit for when # mixing should stop (eg: 0.5 means stop at 50-50 mixing, 0.8 means stop # at 20-80 mixing for the primary-others mixing case.) multiproblem_schedule_threshold=0.5, # The number of examples at which the proportion of the mixed in datasets # is multiproblem_schedule_threshold multiproblem_schedule_max_examples=1e7, # When training multiproblems, we can mix the data according to different # schedules. Example: a constant schedule mixing 20-80 between the primary # and other tasks. # A list of supported schedules can be found in # `data_generators.multi_problem.py`. multiproblem_mixing_schedule="constant", # A scalar to upweight the classifier loss in a multiproblem setting. multiproblem_class_loss_multiplier=0.0, # A boolean that decides whether input sequence losses and target label # losses in classification problems should be reweighted. multiproblem_reweight_label_loss=False, # How much weight the targets in classification problems receive. Inputs # receive 1 minus this weight. multiproblem_label_weight=0.5, # Hyperparameters for relative attention. # The maximum relative positional distance to learn an embedding for. max_relative_position=0, # If heads share the same relative embedding. heads_share_relative_embedding=False, # If relative embedding terms are added to values too. add_relative_to_values=False, # If enable the host_call which is executed every training step. # There could be a performance drop if host_call function is slow and # cannot keep up with the TPU-side computation. tpu_enable_host_call=False, # Pad batch dim of inputs to nearest multiple of batch multiple. pad_batch=False, # When true, do not evaluate on the language model data when running the # multiproblem since it can take a while. If False, set eval_steps to # something large like 6000 or 10000. multiproblem_target_eval_only=False, # Max out the vocab size to a power of 2 for efficiency and to reserve # extra space in the vocabulary for new task ids and label classes. multiproblem_vocab_size=-1, # When using multiproblem with generation tasks, need to truncate the # inputs and targets manually before concatenating them. multiproblem_max_input_length=-1, multiproblem_max_target_length=-1, # If positive, makes training targets fixed-length in MultiProblem. multiproblem_fixed_train_length=-1 ) class RangedHParams(object): """Defines parameter ranges for tuning.""" # From ParameterConfig proto LINEAR_SCALE = 1 LOG_SCALE = 2 REVERSE_LOG_SCALE = 3 SCALES_STR = { LINEAR_SCALE: "UNIT_LINEAR_SCALE", LOG_SCALE: "UNIT_LOG_SCALE", REVERSE_LOG_SCALE: "UNIT_REVERSE_LOG_SCALE", } def __init__(self): self._categorical_params = {} self._discrete_params = {} self._float_params = {} self._int_params = {} def _check_reset_and_type_change(self, name, orig_ctr): """Check if name is in orig_ctr or in one of the other type containers.""" # Resetting a hyperparameter if name in orig_ctr: tf.logging.warning("Overwriting hparam %s", name) ctr_names = [ (self._categorical_params, "categorical"), (self._discrete_params, "discrete"), (self._float_params, "float"), (self._int_params, "int"), ] ctrs, names = list(zip(*ctr_names)) orig_name = names[ctrs.index(orig_ctr)] for ctr, ctr_name in ctr_names: if ctr is orig_ctr: continue # Using a different type for the same hyperparameter name if name in ctr: raise ValueError("Setting hyperparameter %s as type %s, but a " "hyperparemeter of the same name was originally " "registered as type %s" % (name, ctr_name, orig_name)) def set_categorical(self, name, categories, length=None): self._check_reset_and_type_change(name, self._categorical_params) self._categorical_params[name] = (name, categories, length) def set_discrete(self, name, feasible_points, scale=None, length=None): self._check_reset_and_type_change(name, self._discrete_params) self._discrete_params[name] = (name, feasible_points, scale, length) def set_float(self, name, min_val, max_val, scale=None, length=None): self._check_reset_and_type_change(name, self._float_params) self._float_params[name] = (name, min_val, max_val, scale, length) def set_int(self, name, min_val, max_val, scale=None, length=None): self._check_reset_and_type_change(name, self._int_params) self._int_params[name] = (name, min_val, max_val, scale, length) def fix_select_params(self, hp): ctrs = [ self._categorical_params, self._discrete_params, self._float_params, self._int_params ] for key, val in hp.values().iteritems(): for ctr in ctrs: if key in ctr: del ctr[key] self.set_discrete(key, [val]) def to_parameter_specs(self, name_prefix=""): """To list of dicts suitable for Cloud ML Engine hyperparameter tuning.""" specs = [] for name, categories, _ in self._categorical_params.values(): spec = { "parameterName": name_prefix + name, "type": "CATEGORICAL", "categoricalValues": categories, } specs.append(spec) for name, feasible_points, scale, _ in self._discrete_params.values(): spec = { "parameterName": name_prefix + name, "type": "DISCRETE", "discreteValues": feasible_points, } if scale: spec["scaleType"] = self.SCALES_STR[scale] specs.append(spec) for name, min_val, max_val, scale, _ in self._float_params.values(): spec = { "parameterName": name_prefix + name, "type": "DOUBLE", "minValue": min_val, "maxValue": max_val, } if scale: spec["scaleType"] = self.SCALES_STR[scale] specs.append(spec) for name, min_val, max_val, scale, _ in self._int_params.values(): spec = { "parameterName": name_prefix + name, "type": "INTEGER", "minValue": min_val, "maxValue": max_val, } if scale: spec["scaleType"] = self.SCALES_STR[scale] specs.append(spec) return specs @registry.register_ranged_hparams("basic1") def basic_range1(ranged_hparams): """A basic range of hyperparameters.""" rhp = ranged_hparams rhp.set_discrete("batch_size", [1024, 2048, 4096]) rhp.set_discrete("num_hidden_layers", [1, 2, 3, 4, 5, 6]) rhp.set_discrete("hidden_size", [32, 64, 128, 256, 512], scale=rhp.LOG_SCALE) rhp.set_discrete("kernel_height", [1, 3, 5, 7]) rhp.set_discrete("kernel_width", [1, 3, 5, 7]) rhp.set_discrete("compress_steps", [0, 1, 2]) rhp.set_float("dropout", 0.0, 0.5) rhp.set_float("weight_decay", 1e-4, 10.0, scale=rhp.LOG_SCALE) rhp.set_float("label_smoothing", 0.0, 0.2) rhp.set_float("clip_grad_norm", 0.01, 50.0, scale=rhp.LOG_SCALE) rhp.set_float("learning_rate", 0.005, 2.0, scale=rhp.LOG_SCALE) rhp.set_categorical("initializer", ["uniform", "orthogonal", "uniform_unit_scaling"]) rhp.set_float("initializer_gain", 0.5, 3.5) rhp.set_categorical("learning_rate_decay_scheme", ["none", "sqrt", "noam", "exp"]) rhp.set_float("optimizer_adam_epsilon", 1e-7, 1e-2, scale=rhp.LOG_SCALE) rhp.set_float("optimizer_adam_beta1", 0.8, 0.9) rhp.set_float("optimizer_adam_beta2", 0.995, 0.999) rhp.set_categorical( "optimizer", ["Adam", "Adagrad", "Momentum", "RMSProp", "SGD", "YellowFin"]) @registry.register_ranged_hparams def basic_moe_range(rhp): """Moe range; when this parameter is unused, it allows us to see variance.""" rhp.set_float("moe_loss_coef", 0.01, 0.02)
mlperf/training_results_v0.5
v0.5.0/google/research_v3.32/gnmt-tpuv3-32/code/gnmt/model/t2t/tensor2tensor/layers/common_hparams.py
Python
apache-2.0
20,898
[ "MOE" ]
5ebb5bba774a14b165c11e776590c6b507f9fcca5a0b2d112e1042aa4e32a9bc
# -*- coding: utf-8 -*- """ <DefineSource> @Date : Fri Nov 14 13:20:38 2014 \n @Author : Erwan Ledoux \n\n </DefineSource> A Brianer """ #<DefineAugmentation> import ShareYourSystem as SYS BaseModuleStr="ShareYourSystem.Specials.Simulaters.Runner" DecorationModuleStr="ShareYourSystem.Standards.Classors.Classer" SYS.setSubModule(globals()) #</DefineAugmentation> #<ImportSpecificModules> from ShareYourSystem.Standards.Noders import Noder from ShareYourSystem.Specials.Simulaters import Populater import operator #</ImportSpecificModules> #<DefineClass> @DecorationClass(**{ 'ClassingSwitchMethodStrsList':['brian'] }) class BrianerClass(BaseClass): #Definition RepresentingKeyStrsList=[ 'BrianingTimeDimensionVariable', 'BrianingPrintRunIsBool', 'BrianedNetworkVariable', 'BrianedClocksList', 'BrianedSimulationClock', 'BrianedNeuronGroupsList', 'BrianedStateMonitorsList', 'BrianedSpikeMonitorsList', 'BrianedConnectionsList', ] def default_init(self, _BrianingTimeDimensionVariable=None, _BrianingPrintRunIsBool=True, _BrianedNetworkVariable=None, _BrianedClocksList=None, _BrianedSimulationClock=None, _BrianedNeuronGroupsList=None, _BrianedStateMonitorsList=None, _BrianedSpikeMonitorsList=None, _BrianedConnectionsList=None, **_KwargVariablesDict ): #Call the parent __init__ method BaseClass.__init__(self,**_KwargVariablesDict) def mimic_run(self): #brian first self.brian() #parent method BaseClass.run(self) #debug self.debug('We start running in brian') #run with the brian method self.BrianedNetworkVariable.run( self.RunningTimeFloat*self.BrianingTimeDimensionVariable ) #debug self.debug('We stop running in brian') def do_brian(self): #network first self.network( **{ 'RecruitingConcludeConditionVariable':[ ( '__class__.__mro__', operator.contains,Populater.PopulaterClass ) ] } ) """ #populate map( lambda __NetworkedDeriveConnecter: __NetworkedDeriveConnecter.populate(), self.NetworkedDeriveConnectersList ) """ #set the different times self.BrianedStepTimeFloatsList=list( set( SYS.flat( map( lambda __BrianingDerivePopulater: SYS.unzip( __BrianingDerivePopulater.MoniteringStateTuplesList, [2] ) if len( __BrianingDerivePopulater.MoniteringStateTuplesList )>0 else [], self.NetworkedDeriveConnectersList ) ) ) ) #debug ''' self.debug(('self.',self,['BrianedStepTimeFloatsList'])) ''' #import import brian #Check if self.BrianingTimeDimensionVariable==None: self.BrianingTimeDimensionVariable=brian.ms #init self.BrianedNetworkVariable=brian.MagicNetwork() #set the clocks self.BrianedSimulationClock=brian.Clock( dt=self.SimulatingStepTimeFloat*self.BrianingTimeDimensionVariable ) self.BrianedClocksDict=dict( map( lambda __BrianedStepTimeFloat: ( str(__BrianedStepTimeFloat), brian.Clock( dt=__BrianedStepTimeFloat*self.BrianingTimeDimensionVariable ) ), self.BrianedStepTimeFloatsList ) ,**{ str( self.SimulatingStepTimeFloat ):self.BrianedSimulationClock } ) #debug self.debug(('self.',self,['BrianedClocksDict'])) #set clock to the neuron groups self.BrianedNeuronGroupsList=map( lambda __BrianingDerivePopulater: __BrianingDerivePopulater.__setitem__( 'NeuronGroup', brian.NeuronGroup( __BrianingDerivePopulater.PopulatingUnitsInt, __BrianingDerivePopulater.PopulatingEquationStr, clock=self.BrianedClocksDict[str(self.SimulatingStepTimeFloat)] ) ).NeuronGroup, self.NetworkedDeriveConnectersList ) #set the clocks and state monitors self.BrianedStateMonitorsList=SYS.flat( map( lambda __BrianingDerivePopulater: map( lambda __MoniteringStateTuple: __BrianingDerivePopulater.__setitem__( str(__MoniteringStateTuple)+'StateMonitor', getattr( brian, 'StateMonitor' )( __BrianingDerivePopulater.NeuronGroup, __MoniteringStateTuple[0], record=__MoniteringStateTuple[1], clock=self.BrianedClocksDict[str(__MoniteringStateTuple[2])] ) ).SettingValueVariable, __BrianingDerivePopulater.MoniteringStateTuplesList ), self.NetworkedDeriveConnectersList ) ) #set the spike monitors self.BrianedSpikeMonitorsList=SYS.flat( map( lambda __BrianingDerivePopulater: map( lambda __MoniteringSpikeTuple: __BrianingDerivePopulater.__setitem__( str(__MoniteringSpikeTuple)+'SpikeMonitor', getattr( brian, 'SpikeMonitor' )( __BrianingDerivePopulater.NeuronGroup, ) ).SettingValueVariable, __BrianingDerivePopulater.MoniteringSpikeTuplesList ), self.NetworkedDeriveConnectersList ) ) #set the post synapses self.BrianedSpikeMonitorsList=SYS.flat( map( lambda __BrianingDerivePopulater: map( lambda __MoniteringSpikeTuple: __BrianingDerivePopulater.__setitem__( str(__MoniteringSpikeTuple)+'SpikeMonitor', getattr( brian, 'SpikeMonitor' )( __BrianingDerivePopulater.NeuronGroup, ) ).SettingValueVariable, __BrianingDerivePopulater.MoniteringSpikeTuplesList ), self.NetworkedDeriveConnectersList ) ) #debug ''' self.debug(('self.',self,['NetworkedConnectionTuplesList'])) ''' ''' #set connections self.BrianedConnectionsList=map( lambda __ConnectionTuple: map( lambda __ListedVariable: __ConnectionTuple[0].__setitem__( str( ( __ConnectionTuple[0].NodeKeyStr, __ListedVariable.NodeKeyStr ) )+'Connection', brian.Connection( __ConnectionTuple[0].NeuronGroup, __ListedVariable.NeuronGroup ) ).SettingValueVariable, __ConnectionTuple[1][0] )+map( lambda __ListedVariable: __ListedVariable.__setitem__( str( ( __ListedVariable.NodeKeyStr, __ConnectionTuple[0].NodeKeyStr ) )+'Connection', brian.Connection( __ListedVariable.NeuronGroup, __ConnectionTuple[0].NeuronGroup ) ).SettingValueVariable, __ConnectionTuple[1][1] ), self.NetworkedConnectionTuplesList ) ''' """ #debug ''' self.debug(('self.',self,['BrianedNeuronGroupsList'])) ''' #alias BrianedNetworkVariable=self.BrianedNetworkVariable #add map( lambda __BrianedVariable: BrianedNetworkVariable.add(__BrianedVariable), self.BrianedNeuronGroupsList+self.BrianedConnectionsList+self.BrianedMonitorsList ) #Check if self.BrianingPrintRunIsBool: #debug self.debug(('self.',self,[ 'BrianedSimulationClock' ])) #define @brian.network_operation( self.BrianedSimulationClock ) def printControl(): #Print Time print( "time is "+str( self.BrianedSimulationClock.t*self.BrianingTimeDimensionVariable ) ) ''' #Print NeuronGroup print( "variables are"+str( self.BrianedNeuronGroupsList[0] ) ) ''' self.BrianedNetworkVariable.add(printControl); """ #</DefineClass>
Ledoux/ShareYourSystem
Pythonlogy/draft/Simulaters/Brianer/draft/__init__ copy.py
Python
mit
7,536
[ "Brian", "NEURON" ]
e90b4457231e4845d73718ed545b80b1b5b0fe6bbe799591fc3934acb2983fcf
import unittest import numpy as np from spglib import get_symmetry from vasp import read_vasp_from_strings Al222 = """Al 1.0 8.0786564361761641 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.0786564361761641 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.0786564361761641 32 Direct 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.0000000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.5000000000000000 0.0000000000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.2500000000000000 0.2500000000000000 0.5000000000000000 0.2500000000000000 0.2500000000000000 0.0000000000000000 0.7500000000000000 0.2500000000000000 0.5000000000000000 0.7500000000000000 0.2500000000000000 0.0000000000000000 0.2500000000000000 0.7500000000000000 0.5000000000000000 0.2500000000000000 0.7500000000000000 0.0000000000000000 0.7500000000000000 0.7500000000000000 0.5000000000000000 0.7500000000000000 0.7500000000000000 0.2500000000000000 0.0000000000000000 0.2500000000000000 0.7500000000000000 0.0000000000000000 0.2500000000000000 0.2500000000000000 0.5000000000000000 0.2500000000000000 0.7500000000000000 0.5000000000000000 0.2500000000000000 0.2500000000000000 0.0000000000000000 0.7500000000000000 0.7500000000000000 0.0000000000000000 0.7500000000000000 0.2500000000000000 0.5000000000000000 0.7500000000000000 0.7500000000000000 0.5000000000000000 0.7500000000000000 0.2500000000000000 0.2500000000000000 0.0000000000000000 0.7500000000000000 0.2500000000000000 0.0000000000000000 0.2500000000000000 0.7500000000000000 0.0000000000000000 0.7500000000000000 0.7500000000000000 0.0000000000000000 0.2500000000000000 0.2500000000000000 0.5000000000000000 0.7500000000000000 0.2500000000000000 0.5000000000000000 0.2500000000000000 0.7500000000000000 0.5000000000000000 0.7500000000000000 0.7500000000000000 0.5000000000000000""" sym_ops_str = """ 1 0 0 0 1 0 0 0 1 0.0000000 0.0000000 0.0000000 -1 0 0 0 -1 0 0 0 -1 0.0000000 0.0000000 0.0000000 0 0 -1 0 1 0 1 0 0 0.0000000 0.0000000 0.0000000 0 0 1 0 -1 0 -1 0 0 0.0000000 0.0000000 0.0000000 -1 0 0 0 1 0 0 0 -1 0.0000000 0.0000000 0.0000000 1 0 0 0 -1 0 0 0 1 0.0000000 0.0000000 0.0000000 0 0 1 0 1 0 -1 0 0 0.0000000 0.0000000 0.0000000 0 0 -1 0 -1 0 1 0 0 0.0000000 0.0000000 0.0000000 1 0 0 0 -1 0 0 0 -1 0.0000000 0.0000000 0.0000000 -1 0 0 0 1 0 0 0 1 0.0000000 0.0000000 0.0000000 0 0 -1 0 -1 0 -1 0 0 0.0000000 0.0000000 0.0000000 0 0 1 0 1 0 1 0 0 0.0000000 0.0000000 0.0000000 -1 0 0 0 -1 0 0 0 1 0.0000000 0.0000000 0.0000000 1 0 0 0 1 0 0 0 -1 0.0000000 0.0000000 0.0000000 0 0 1 0 -1 0 1 0 0 0.0000000 0.0000000 0.0000000 0 0 -1 0 1 0 -1 0 0 0.0000000 0.0000000 0.0000000 0 1 0 0 0 1 1 0 0 0.0000000 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0.2500000 0 -1 0 1 0 0 0 0 -1 0.7500000 0.5000000 0.2500000 0 -1 0 0 0 -1 1 0 0 0.7500000 0.5000000 0.2500000 0 1 0 0 0 1 -1 0 0 0.7500000 0.5000000 0.2500000 0 -1 0 -1 0 0 0 0 -1 0.7500000 0.5000000 0.2500000 0 1 0 1 0 0 0 0 1 0.7500000 0.5000000 0.2500000 0 -1 0 0 0 1 -1 0 0 0.7500000 0.5000000 0.2500000 0 1 0 0 0 -1 1 0 0 0.7500000 0.5000000 0.2500000 0 -1 0 1 0 0 0 0 1 0.7500000 0.5000000 0.2500000 0 1 0 -1 0 0 0 0 -1 0.7500000 0.5000000 0.2500000 0 0 1 1 0 0 0 1 0 0.7500000 0.5000000 0.2500000 0 0 -1 -1 0 0 0 -1 0 0.7500000 0.5000000 0.2500000 1 0 0 0 0 -1 0 1 0 0.7500000 0.5000000 0.2500000 -1 0 0 0 0 1 0 -1 0 0.7500000 0.5000000 0.2500000 0 0 -1 -1 0 0 0 1 0 0.7500000 0.5000000 0.2500000 0 0 1 1 0 0 0 -1 0 0.7500000 0.5000000 0.2500000 -1 0 0 0 0 1 0 1 0 0.7500000 0.5000000 0.2500000 1 0 0 0 0 -1 0 -1 0 0.7500000 0.5000000 0.2500000 0 0 -1 1 0 0 0 -1 0 0.7500000 0.5000000 0.2500000 0 0 1 -1 0 0 0 1 0 0.7500000 0.5000000 0.2500000 -1 0 0 0 0 -1 0 -1 0 0.7500000 0.5000000 0.2500000 1 0 0 0 0 1 0 1 0 0.7500000 0.5000000 0.2500000 0 0 1 -1 0 0 0 -1 0 0.7500000 0.5000000 0.2500000 0 0 -1 1 0 0 0 1 0 0.7500000 0.5000000 0.2500000 1 0 0 0 0 1 0 -1 0 0.7500000 0.5000000 0.2500000 -1 0 0 0 0 -1 0 1 0 0.7500000 0.5000000 0.2500000""" class TestPureTrans(unittest.TestCase): """This is a test for new implentation of search_pure_translations in symmetry.c (ee97ad17) againt a previous version. The order of symmetry oprations found by this new implementation may be different from that obtaiend by the older version but the set must be the same in rotations and very close in translations. """ def setUp(self): cell = read_vasp_from_strings(Al222) self._sym_ops = get_symmetry(cell) rot = [] trans = [] for i, line in enumerate(sym_ops_str.split('\n')): arr = line.split() rot += [int(x) for x in arr[:9]] trans += [float(x) for x in arr[9:]] self._rot_ref = np.reshape(rot, (-1, 3, 3)) self._trans_ref = np.reshape(trans, (-1, 3)) def tearDown(self): pass def test_pure_trans(self): nums = [] for i, (r, t) in enumerate(zip(self._sym_ops['rotations'], self._sym_ops['translations'])): for j, (rr, tr) in enumerate(zip(self._rot_ref, self._trans_ref)): if (r == rr).all() and (np.abs(t - tr) < 1e-5).all(): nums.append(j) break np.testing.assert_array_equal(np.sort(nums), np.arange(len(self._rot_ref))) if __name__ == '__main__': suite = unittest.TestLoader().loadTestsFromTestCase(TestPureTrans) unittest.TextTestRunner(verbosity=2).run(suite) # unittest.main()
jochym/spglib
python/test/test_pure_trans.py
Python
bsd-3-clause
105,250
[ "VASP" ]
cc00c9ed817f7a1ac6b05895df9df03bee3964d6e298bfa10c28eb3ea17561be
#!/usr/bin/env python #register files to LFN; #if files are not under /cefs; copy to /cefs/dirac/user/{first-char}/{user-name}/jsub/{mother-dir}/ (don't append full path because of max depth limit of LFN) #LFN = /{vo}/user/{first-char}/{user-name}/ + full_path import os from DIRAC import S_OK, S_ERROR, gLogger, exit from DIRAC.Core.Base import Script Script.setUsageMessage('Register files to DFC') Script.parseCommandLine(ignoreErrors=False) from DIRAC.Core.Utilities.Adler import fileAdler from DIRAC.Core.Utilities.File import makeGuid from DIRAC.DataManagementSystem.Client.DataManager import DataManager from DIRAC.Core.Security.ProxyInfo import getProxyInfo from DIRAC.ConfigurationSystem.Client.Helpers.Registry import getVOForGroup from DIRAC.Resources.Catalog.FileCatalogClient import FileCatalogClient fcc = FileCatalogClient('DataManagement/FileCatalog') files = Script.getPositionalArgs() _bufferSize = 100 _se = 'IHEP-STORM' overwrite=False def main(): dm = DataManager() fileTupleBuffer = [] res = getProxyInfo( False, False ) if not res['OK']: gLogger.error( "Failed to get client proxy information.", res['Message'] ) DIRAC.exit( 2 ) proxyInfo = res['Value'] if proxyInfo['secondsLeft'] == 0: gLogger.error( "Proxy expired" ) DIRAC.exit( 2 ) username = proxyInfo['username'] vo = '' if 'group' in proxyInfo: vo = getVOForGroup( proxyInfo['group'] ) counter = 0 for f in files: counter += 1 local_f=f if not f.startswith('/cefs'): # gLogger.error('File must be under "/cefs"') # continue #if the file to reg is not under /cefs, use put and register folder_name=os.path.basename(os.path.dirname(f)) # lfn = '/cepc/user/%s/%s/jsub/'%(username[0],username) + folder_name + '/' + os.path.basename(f) lfn = '/cepc/user/%s/%s/jsub/'%(username[0],username) + folder_name + '/' + os.path.basename(f) # dirname = os.path.dirname(local_f) # os.system('mkdir -p %s'%(dirname)) # os.system('cp %s %s' %(f,local_f)) do_put_and_register=True else: lfn = '/cepc/lustre-ro' + os.path.abspath(f) do_put_and_register=False result = fcc.isFile(lfn) if result['OK'] and lfn in result['Value']['Successful'] and result['Value']['Successful'][lfn]: continue size = os.path.getsize(f) adler32 = fileAdler(f) guid = makeGuid() fileTuple = (lfn, local_f, size, _se, guid, adler32) fileTupleBuffer.append(fileTuple) gLogger.debug('Register to lfn: %s' % lfn) gLogger.debug('fileTuple: %s' % (fileTuple,)) if len(fileTupleBuffer) >= _bufferSize: if do_put_and_register: result = dm.putAndRegister(lfn, local_f, _se, guid, overwrite=overwrite) else: result = dm.registerFile(fileTupleBuffer) print('register result', result) # if not result['OK']: # gLogger.error('Register file failed') # return 1 del fileTupleBuffer[:] gLogger.debug('%s files registered' % counter) if fileTupleBuffer: if do_put_and_register: result = dm.putAndRegister(lfn, local_f, _se, guid, overwrite=overwrite) else: result = dm.registerFile(fileTupleBuffer) print('register result', result) # if not result['OK']: # gLogger.error('Register file failed') # return 1 del fileTupleBuffer[:] gLogger.info('Totally %s files registered' % counter) return 0 if __name__ == '__main__': exit(main())
jsubpy/jsub
jsub/scripts/dirac-register.py
Python
mit
3,758
[ "DIRAC" ]
92a9565e2d3eec45e1e1f837b12959073068089f1ca2c1e44e9ac454548cdb99
import numpy as np from keras.models import Sequential from keras.layers import Dense from keras.layers import LSTM from keras.layers import Activation from keras.layers import Masking from keras.optimizers import RMSprop from keras import backend as k from sklearn.preprocessing import normalize """ Discrete log-likelihood for Weibull hazard function on censored survival data y_true is a (samples, 2) tensor containing time-to-event (y), and an event indicator (u) ab_pred is a (samples, 2) tensor containing predicted Weibull alpha (a) and beta (b) parameters For math, see https://ragulpr.github.io/assets/draft_master_thesis_martinsson_egil_wtte_rnn_2016.pdf (Page 35) """ def weibull_loglik_discrete(y_true, ab_pred, name=None): y_ = y_true[:, 0] u_ = y_true[:, 1] a_ = ab_pred[:, 0] b_ = ab_pred[:, 1] hazard0 = k.pow((y_ + 1e-35) / a_, b_) hazard1 = k.pow((y_ + 1) / a_, b_) return -1 * k.mean(u_ * k.log(k.exp(hazard1 - hazard0) - 1.0) - hazard1) """ Not used for this model, but included in case somebody needs it For math, see https://ragulpr.github.io/assets/draft_master_thesis_martinsson_egil_wtte_rnn_2016.pdf (Page 35) """ def weibull_loglik_continuous(y_true, ab_pred, name=None): y_ = y_true[:, 0] u_ = y_true[:, 1] a_ = ab_pred[:, 0] b_ = ab_pred[:, 1] ya = (y_ + 1e-35) / a_ return -1 * k.mean(u_ * (k.log(b_) + b_ * k.log(ya)) - k.pow(ya, b_)) """ Custom Keras activation function, outputs alpha neuron using exponentiation and beta using softplus """ def activate(ab): a = k.exp(ab[:, 0]) b = k.softplus(ab[:, 1]) a = k.reshape(a, (k.shape(a)[0], 1)) b = k.reshape(b, (k.shape(b)[0], 1)) return k.concatenate((a, b), axis=1) """ Load and parse engine data files into: - an (engine/day, observed history, sensor readings) x tensor, where observed history is 100 days, zero-padded for days that don't have a full 100 days of observed history (e.g., first observed day for an engine) - an (engine/day, 2) tensor containing time-to-event and 1 (since all engines failed) There are probably MUCH better ways of doing this, but I don't use Numpy that much, and the data parsing isn't the point of this demo anyway. """ def load_file(name): with open(name, 'r') as file: return np.loadtxt(file, delimiter=',') np.set_printoptions(suppress=True, threshold=10000) train = load_file('train.csv') test_x = load_file('test_x.csv') test_y = load_file('test_y.csv') # Combine the X values to normalize them, then split them back out all_x = np.concatenate((train[:, 2:26], test_x[:, 2:26])) all_x = normalize(all_x, axis=0) train[:, 2:26] = all_x[0:train.shape[0], :] test_x[:, 2:26] = all_x[train.shape[0]:, :] # Make engine numbers and days zero-indexed, for everybody's sanity train[:, 0:2] -= 1 test_x[:, 0:2] -= 1 # Configurable observation look-back period for each engine/day max_time = 100 def build_data(engine, time, x, max_time, is_test): # y[0] will be days remaining, y[1] will be event indicator, always 1 for this data out_y = np.empty((0, 2), dtype=np.float32) # A full history of sensor readings to date for each x out_x = np.empty((0, max_time, 24), dtype=np.float32) for i in range(100): print("Engine: " + str(i)) # When did the engine fail? (Last day + 1 for train data, irrelevant for test.) max_engine_time = int(np.max(time[engine == i])) + 1 if is_test: start = max_engine_time - 1 else: start = 0 this_x = np.empty((0, max_time, 24), dtype=np.float32) for j in range(start, max_engine_time): engine_x = x[engine == i] out_y = np.append(out_y, np.array((max_engine_time - j, 1), ndmin=2), axis=0) xtemp = np.zeros((1, max_time, 24)) xtemp[:, max_time-min(j, 99)-1:max_time, :] = engine_x[max(0, j-max_time+1):j+1, :] this_x = np.concatenate((this_x, xtemp)) out_x = np.concatenate((out_x, this_x)) return out_x, out_y train_x, train_y = build_data(train[:, 0], train[:, 1], train[:, 2:26], max_time, False) test_x = build_data(test_x[:, 0], test_x[:, 1], test_x[:, 2:26], max_time, True)[0] train_u = np.zeros((100, 1), dtype=np.float32) train_u += 1 test_y = np.append(np.reshape(test_y, (100, 1)), train_u, axis=1) """ Here's the rest of the meat of the demo... actually fitting and training the model. We'll also make some test predictions so we can evaluate model performance. """ # Start building our model model = Sequential() # Mask parts of the lookback period that are all zeros (i.e., unobserved) so they don't skew the model model.add(Masking(mask_value=0., input_shape=(max_time, 24))) # LSTM is just a common type of RNN. You could also try anything else (e.g., GRU). model.add(LSTM(20, input_dim=24)) # We need 2 neurons to output Alpha and Beta parameters for our Weibull distribution model.add(Dense(2)) # Apply the custom activation function mentioned above model.add(Activation(activate)) # Use the discrete log-likelihood for Weibull survival data as our loss function model.compile(loss=weibull_loglik_discrete, optimizer=RMSprop(lr=.001)) # Fit! model.fit(train_x, train_y, nb_epoch=250, batch_size=2000, verbose=2, validation_data=(test_x, test_y)) # Make some predictions and put them alongside the real TTE and event indicator values test_predict = model.predict(test_x) test_predict = np.resize(test_predict, (100, 2)) test_result = np.concatenate((test_y, test_predict), axis=1) # TTE, Event Indicator, Alpha, Beta print(test_result)
daynebatten/keras-wtte-rnn
wtte-rnn.py
Python
mit
5,661
[ "NEURON" ]
f432f2bb7968fc206f6e47021f0cd226778f5123609a498b22de8ff70d8dffd7
from .agents import * import utils as u class AgentXTypeTwoClass(Agent): def __init__(self, x=2, y=2): Agent.__init__(self) ## # Personalize the identifier of this class. # Will be used instead of the class name # in neighbours info self.name = 'AgentXTypeTwo' # The possible actions of the agent self.actions = { 0: "GoNorth", 1: "GoWest", 2: "GoSouth", 3: "GoEast", 4: "NoOp" } # THe list of walls bumped self.walls = [] # The list of the visited position self.visited_floor = [] # The search tree self.search_tree = [((0, 0), 4)] # The position visited by an adversary self.visited_floor_adv = [] # Current action self.current_action = 4 # Current position self.position = (0, 0) def get_coord(action): """ Retrieve the normal coordinates and the backtracked one Args: - action (int): The action to make Return: - (tuple): The new position """ if action == 0: # GoNorth return self.position[0], self.position[1] + 1 elif action == 1: # GoWest return self.position[0] - 1, self.position[1] elif action == 2: # GoSouth return self.position[0], self.position[1] - 1 elif action == 3: # GoEast return self.position[0] + 1, self.position[1] def distance_from_other_agents(neighbors): """ Calculate the distance from other agents and return the list with the preferred action to make Args: neighbors (list): The complete list of the agent Return: (list): A list of tuple with a structure like [(distance, [action, ...]), ...] """ distances = [] for (agent_id, agent_type), pos in neighbors: if self.id != agent_id: dis_from_other_agent = u.distance(self.position, (self.position[0] + pos[0], self.position[1] + pos[1])) actions = [] if pos[0] < 0: actions.append(1) # GoWest elif pos[0] > 0: actions.append(3) # GoEast if pos[1] < 0: actions.append(2) # GoSouth elif pos[1] > 0: actions.append(0) # GoNorth actions.append(random.randint(0, 3)) distances.append((dis_from_other_agent, actions)) return list(sorted(distances, key=lambda elm: elm[0])) def define_action(neighbors): """ Retrieve the action to make. In first time the agent try to take open a new graph (or tree) branch, if this is not possible then it enter a previously visited branch Args: neighbors (list): The list of the neighbors Return: (string): the action to make """ def decide(action): """ Control if the action is possible Args: action (int): The action to undertake Return: (string) The action to make (None) If is not possible """ coord = get_coord(action) if coord not in self.walls and coord not in self.visited_floor \ and coord not in self.visited_floor_adv: # New position self.position = coord # New action self.current_action = action # Save in the history self.visited_floor.insert(0, self.position) self.search_tree.insert(0, (self.position, action)) return self.actions[action] else: return None dis_other_agents = distance_from_other_agents(neighbors) for dis, actions in dis_other_agents: # Firstly try the actions calculated with heuristic for i in actions: action = decide(i) if action: return action # In this second stage, the agent try to take one of the four action (if it's possible) for i in range(0, 4): action = decide(i) if action: return action ## # ==================================================== # Backtracking when there aren't action to make # ==================================================== if not self.search_tree: return 'NoOp' # Retrieve the position and action (coord_x, coord_y), action = self.search_tree[0] # Calculate the backtrack action to make action = (action + 2) % 4 # Remove the first element of search tree self.search_tree.pop(0) # Backtrack position self.position = get_coord(action) # Backtrack action self.current_action = action return self.actions[action] def retrieve_action(neighbors): """ Retrieve an action to make Args: neighbors (array): The list of the neighbors Return: (string): The action to make """ if neighbors: return define_action(neighbors) else: return 'NoOp' def make_action(status, bump, neighbors): """ Select the action to execute Params: status (string): 'Dirty' or 'Clean' bump (string): 'Bump' or 'None' neighbors (list of tuples): [ ( (agent_id, agent_type), (r_x, r_y) ), ..., ... ] Returns: (string): one of these commands: - 'Suck' - 'GoNorth' - 'GoSouth' - 'GoWest' - 'GoEast' - 'NoOp' or 'Noop' """ # If the search tree is empty, then the agent have finished the visit if not self.search_tree: return 'NoOp' # If the position is dirty, then suck if status == 'Dirty': return 'Suck' # Bumped the wall if bump == 'Bump': # Extract the position from the search tree because it can't accessed anymore if self.search_tree: self.search_tree.pop(0) self.walls.append(self.position) self.position = get_coord((self.current_action + 2) % 4) # If the agent have bumped the wall or the position is empty, then retrieve the action to make return retrieve_action(neighbors) def program(status, bump, neighbors): """Main function of the Agent. Params: status (string): 'Dirty' or 'Clean' bump (string): 'Bump' or 'None' neighbors (list of tuples): [ ( (agent_id, agent_type), (r_x, r_y) ), ..., ... ] Returns: (string): one of these commands: - 'Suck' - 'GoNorth' - 'GoSouth' - 'GoWest' - 'GoEast' - 'NoOp' or 'Noop' """ # Save all the position visited by an other agent as personal visiting for (agent_id, agent_type), pos in neighbors: if agent_id != self.id: self.visited_floor_adv.append((self.position[0] + pos[0], self.position[1] + pos[1])) return make_action(status, bump, neighbors) self.program = program
DMIunipg/AI-Project-VacuumEnvironment
agent_dir/AgentXTypeTwo.py
Python
apache-2.0
8,697
[ "VisIt" ]
b55fe66ea137497f377fa5213880d7a7fc7718990374358716699eea9d98bc25
# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- # vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 fileencoding=utf-8 # # MDAnalysis --- http://www.mdanalysis.org # Copyright (c) 2006-2016 The MDAnalysis Development Team and contributors # (see the file AUTHORS for the full list of names) # # Released under the GNU Public Licence, v2 or any higher version # # Please cite your use of MDAnalysis in published work: # # R. J. Gowers, M. Linke, J. Barnoud, T. J. E. Reddy, M. N. Melo, S. L. Seyler, # D. L. Dotson, J. Domanski, S. Buchoux, I. M. Kenney, and O. Beckstein. # MDAnalysis: A Python package for the rapid analysis of molecular dynamics # simulations. In S. Benthall and S. Rostrup editors, Proceedings of the 15th # Python in Science Conference, pages 102-109, Austin, TX, 2016. SciPy. # # N. Michaud-Agrawal, E. J. Denning, T. B. Woolf, and O. Beckstein. # MDAnalysis: A Toolkit for the Analysis of Molecular Dynamics Simulations. # J. Comput. Chem. 32 (2011), 2319--2327, doi:10.1002/jcc.21787 # from __future__ import absolute_import import numpy as np from MDAnalysisTests import datafiles from MDAnalysisTests.datafiles import (PDB_small, PDB, PDB_full, LAMMPSdata, LAMMPSdata2, LAMMPSdcd2, LAMMPSdata_mini, PSF_TRICLINIC, DCD_TRICLINIC, PSF_NAMD_TRICLINIC, DCD_NAMD_TRICLINIC) class RefAdKSmall(object): """Mixin class to provide comparison numbers. Based on small PDB with AdK (:data:`PDB_small`). .. Note:: All distances must be in ANGSTROEM as this is the MDAnalysis default unit. All readers must return Angstroem by default. """ filename = datafiles.PDB_small ref_coordinates = { # G11:CA, copied frm adk_open.pdb 'A10CA': np.array([-1.198, 7.937, 22.654]), } ref_distances = {'endtoend': 11.016959} ref_E151HA2_index = 2314 ref_n_atoms = 3341 ref_charmm_totalcharge = -4.0 ref_charmm_Hcharges = [0.33] + 203 * [0.31] ref_charmm_ArgCAcharges = 13 * [0.07] ref_charmm_ProNcharges = 10 * [-0.29] ref_unitcell = np.array([80.017, 80.017, 80.017, 60., 60., 90.], dtype=np.float32) ref_volume = 0.0 class RefAdK(object): """Mixin class to provide comparison numbers. Based on PDB/GRO with AdK in water + Na+ (:data:`PDB`). .. Note:: All distances must be in ANGSTROEM as this is the MDAnalysis default unit. All readers must return Angstroem by default. """ filename = datafiles.PDB ref_coordinates = { # Angstroem as MDAnalysis unit!! 'A10CA': np.array([62.97600174, 62.08800125, 20.2329998]), } ref_distances = {'endtoend': 9.3513174} ref_E151HA2_index = 2314 ref_n_atoms = 47681 ref_Na_sel_size = 4 # CRYST1 80.017 80.017 80.017 60.00 60.00 90.00 ref_unitcell = np.array([80.017, 80.017, 80.017, 60., 60., 90.], dtype=np.float32) ref_volume = 362270.0 # computed with Gromacs class Ref2r9r(object): """Mixin class to provide comparison numbers. Based on S6 helices of chimeric Kv channel .. Note:: All distances must be in ANGSTROEM as this is the MDAnalysis default unit. All readers must return Angstroem by default. """ ref_n_atoms = 1284 ref_sum_centre_of_geometry = -98.24146 ref_n_frames = 10 class Ref4e43(object): """Mixin class for a clean Protein Databank PDB file""" filename = datafiles.PDB_full header = 'HYDROLASE 11-MAR-12 4E43' title = ['HIV PROTEASE (PR) DIMER WITH ACETATE IN EXO SITE AND PEPTIDE ' 'IN ACTIVE', '2 SITE'] compnd = ['MOL_ID: 1;', '2 MOLECULE: PROTEASE;', '3 CHAIN: A, B;', '4 ENGINEERED: YES;', '5 MUTATION: YES;', '6 MOL_ID: 2;', '7 MOLECULE: RANDOM PEPTIDE;', '8 CHAIN: C;', '9 ENGINEERED: YES;', '10 OTHER_DETAILS: UNKNOWN IMPURITY', ] num_remarks = 333 # only first 5 remarks for comparison nmax_remarks = 5 remarks = [ '2', '2 RESOLUTION. 1.54 ANGSTROMS.', '3', '3 REFINEMENT.', '3 PROGRAM : REFMAC 5.5.0110', ] class RefACHE(object): """Mixin class to provide comparison numbers. ACHE peptide # COM check in VMD:: set p [atomselect top "not water"] set total {0 0 0}; for {set i 0} {$i < 11} {incr i} { $p frame $i; set total [vecadd $total [measure center $p]]} puts [vecsum $total] # 472.2592159509659 """ ref_n_atoms = 252 ref_proteinatoms = ref_n_atoms ref_sum_centre_of_geometry = 472.2592159509659 # 430.44807815551758 ref_n_frames = 11 ref_periodic = False class RefCappedAla(object): """Mixin class to provide comparison numbers. Capped Ala in water # COM check in VMD (load trajectory as *AMBER with periodic box*!):: set p [atomselect top "not water"] set total {0 0 0}; for {set i 0} {$i < 11} {incr i} { $p frame $i; set total [vecadd $total [measure center $p]]} puts [vecsum $total] # 686.276834487915 """ ref_n_atoms = 5071 ref_proteinatoms = 22 ref_sum_centre_of_geometry = 686.276834487915 ref_n_frames = 11 ref_periodic = True class RefVGV(object): """Mixin class to provide comparison numbers. Computed from bala.trj:: w = MDAnalysis.Universe(PRMncdf, TRJncdf) ref_n_atoms = len(w.atoms) ref_proteinatoms = len(w.select_atoms("protein")) ref_sum_centre_of_geometry = np.sum([protein.center_of_geometry() for ts in w.trajectory]) """ topology = datafiles.PRMncdf filename = datafiles.NCDF ref_n_atoms = 2661 ref_proteinatoms = 50 ref_sum_centre_of_geometry = 1552.9125 ref_n_frames = 30 ref_periodic = True class RefTZ2(object): """Reference values for the cpptraj testcase tz2.truncoct.nc Used under the GPL v3. """ topology = datafiles.PRM7 filename = datafiles.NCDFtruncoct ref_n_atoms = 5827 ref_proteinatoms = 217 ref_sum_centre_of_geometry = -68.575745 ref_n_frames = 10 ref_periodic = True class RefTRZ(object): # ref_coordinates = {} # ref_distances = {'endtoend': } ref_n_atoms = 8184 ref_dimensions = np.array([55.422830581665039, 55.422830581665039, 55.422830581665039, 90., 90., 90.], dtype=np.float32) ref_volume = 170241.762765 ref_n_frames = 6 ref_coordinates = np.array([72.3163681, -130.31130981, 19.97969055], dtype=np.float32) ref_velocities = np.array([[14.83297443, 18.02611542, 6.07733774]], dtype=np.float32) ref_delta = 0.001 ref_time = 0.01 ref_title = ('ABCDEFGHIJKLMNOPQRSTUVWXYZ12345678901234' 'ABCDEFGHIJKLMNOPQRSTUVWXYZ12345678901234') class RefLAMMPSData(object): filename = LAMMPSdata n_atoms = 18364 pos_atom1 = np.array([11.89985657, 48.4455719, 19.09719849], dtype=np.float32) vel_atom1 = np.array([-0.005667593, 0.00791380978, -0.00300779533], dtype=np.float32) dimensions = np.array([55.42282867, 55.42282867, 55.42282867, 90., 90., 90. ], dtype=np.float32) class RefLAMMPSDataDCD(object): format = "LAMMPS" topology = LAMMPSdata2 trajectory = LAMMPSdcd2 n_atoms = 12421 n_frames = 5 dt = 0.5 # ps per frame mean_dimensions = np.array( [ 50.66186142, 47.18824387, 52.33762741, 90. , 90. , 90. ], dtype=np.float32) class RefLAMMPSDataMini(object): filename = LAMMPSdata_mini n_atoms = 1 pos_atom1 = np.array([11.89985657, 48.4455719, 19.09719849], dtype=np.float32) vel_atom1 = np.array([-0.005667593, 0.00791380978, -0.00300779533], dtype=np.float32) dimensions = np.array([60., 50., 30., 90., 90., 90.], dtype=np.float32) class RefCHARMMtriclinicDCD(object): topology = PSF_TRICLINIC trajectory = DCD_TRICLINIC # time(ps) A B C alpha beta gamma (length in Angstrome, angles in degrees) # dcd starts at t = 1ps ref_dimensions = np.array([ [1., 35.44604, 35.06156, 34.1585, 91.32802, 61.73521, 44.40703], [2., 34.65957, 34.22689, 33.09897, 90.56206, 61.79192, 44.14549], [3., 34.52772, 34.66422, 33.53881, 90.55859, 63.11228, 40.14044], [4., 34.43749, 33.38432, 34.02133, 88.82457, 64.98057, 36.77397], [5., 33.73129, 32.47752, 34.18961, 89.88102, 65.89032, 36.10921], [6., 33.78703, 31.90317, 34.98833, 90.03092, 66.12877, 35.07141], [7., 33.24708, 31.18271, 34.9654, 93.11122, 68.17743, 35.73643], [8., 32.92599, 30.31393, 34.99197, 93.89051, 69.3799, 33.48945], [9., 32.15295, 30.43056, 34.96157, 96.01416, 71.50115, 32.56111], [10., 31.99748, 30.21518, 35.24292, 95.85821, 71.08429, 31.85939] ]) class RefNAMDtriclinicDCD(object): topology = PSF_NAMD_TRICLINIC trajectory = DCD_NAMD_TRICLINIC # vmd topology trajectory # molinfo 0 get {a b c alpha beta gamma} # time(ps) A B C alpha beta gamma (length in Angstrome, angles in degrees) ref_dimensions = np.array([ [1., 38.426594, 38.393101, 44.759800, 90.000000, 90.000000, 60.028915], ])
kain88-de/mdanalysis
testsuite/MDAnalysisTests/coordinates/reference.py
Python
gpl-2.0
9,750
[ "Amber", "Gromacs", "LAMMPS", "MDAnalysis", "VMD" ]
8c8fcb56b298ee3fa1c39a7d6cd1416fa9ac72933e9da5df3fa11976ae7bb061
#!/usr/bin/python # -*- coding: utf-8 -*- # # --- BEGIN_HEADER --- # # pubvgridprojects - [insert a few words of module description on this line] # Copyright (C) 2003-2009 The MiG Project lead by Brian Vinter # # This file is part of MiG. # # MiG is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation; either version 2 of the License, or # (at your option) any later version. # # MiG is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # # You should have received a copy of the GNU General Public License # along with this program; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. # # -- END_HEADER --- # import cgi import cgitb cgitb.enable() from shared.functionality.pubvgridprojs import main from shared.cgiscriptstub import run_cgi_script_possibly_with_cert run_cgi_script_possibly_with_cert(main)
heromod/migrid
mig/cgi-sid/pubvgridprojs.py
Python
gpl-2.0
1,155
[ "Brian" ]
f4ac2e62a79e7d8ca26de19f4d2772d9c12fec7049f769e144c5735cb9f283b3
# -*- coding: utf-8 -*- # TODO: Port to pytest # PEP8 asserts from copy import deepcopy import httplib as http import time import mock import pytest from nose.tools import * # noqa from tests.base import OsfTestCase, fake from osf_tests.factories import ( UserFactory, NodeFactory, ProjectFactory, AuthUserFactory ) from addons.wiki.tests.factories import NodeWikiFactory from website.exceptions import NodeStateError from addons.wiki import settings from addons.wiki import views from addons.wiki.exceptions import InvalidVersionError from addons.wiki.models import NodeWikiPage, render_content from addons.wiki.utils import ( get_sharejs_uuid, generate_private_uuid, share_db, delete_share_doc, migrate_uuid, format_wiki_version, serialize_wiki_settings, ) from framework.auth import Auth from framework.mongo.utils import to_mongo_key from .config import EXAMPLE_DOCS, EXAMPLE_OPS pytestmark = pytest.mark.django_db # forward slashes are not allowed, typically they would be replaced with spaces SPECIAL_CHARACTERS_ALL = u'`~!@#$%^*()-=_+ []{}\|/?.df,;:''"' SPECIAL_CHARACTERS_ALLOWED = u'`~!@#$%^*()-=_+ []{}\|?.df,;:''"' class TestWikiViews(OsfTestCase): def setUp(self): super(TestWikiViews, self).setUp() self.user = AuthUserFactory() self.project = ProjectFactory(is_public=True, creator=self.user) self.consolidate_auth = Auth(user=self.project.creator) def test_wiki_url_get_returns_200(self): url = self.project.web_url_for('project_wiki_view', wname='home') res = self.app.get(url) assert_equal(res.status_code, 200) def test_wiki_url_404_with_no_write_permission(self): # and not public url = self.project.web_url_for('project_wiki_view', wname='somerandomid') res = self.app.get(url, auth=self.user.auth) assert_equal(res.status_code, 200) res = self.app.get(url, expect_errors=True) assert_equal(res.status_code, 404) @mock.patch('addons.wiki.utils.broadcast_to_sharejs') def test_wiki_deleted_404_with_no_write_permission(self, mock_sharejs): self.project.update_node_wiki('funpage', 'Version 1', Auth(self.user)) self.project.save() url = self.project.web_url_for('project_wiki_view', wname='funpage') res = self.app.get(url) assert_equal(res.status_code, 200) delete_url = self.project.api_url_for('project_wiki_delete', wname='funpage') self.app.delete(delete_url, auth=self.user.auth) res = self.app.get(url, expect_errors=True) assert_equal(res.status_code, 404) def test_wiki_url_with_path_get_returns_200(self): self.project.update_node_wiki('funpage', 'Version 1', Auth(self.user)) self.project.update_node_wiki('funpage', 'Version 2', Auth(self.user)) self.project.save() url = self.project.web_url_for( 'project_wiki_view', wname='funpage', ) + '?view&compare=1&edit' res = self.app.get(url, auth=self.user.auth) assert_equal(res.status_code, 200) def test_wiki_url_with_edit_get_returns_403_with_no_write_permission(self): self.project.update_node_wiki('funpage', 'Version 1', Auth(self.user)) self.project.update_node_wiki('funpage', 'Version 2', Auth(self.user)) self.project.save() url = self.project.web_url_for( 'project_wiki_view', wname='funpage', compare=1, ) res = self.app.get(url) assert_equal(res.status_code, 200) url = self.project.web_url_for( 'project_wiki_view', wname='funpage', ) + '?edit' res = self.app.get(url, expect_errors=True) assert_equal(res.status_code, 403) # Check publicly editable wiki = self.project.get_addon('wiki') wiki.set_editing(permissions=True, auth=self.consolidate_auth, log=True) res = self.app.get(url, auth=AuthUserFactory().auth, expect_errors=False) assert_equal(res.status_code, 200) # Check publicly editable but not logged in res = self.app.get(url, expect_errors=True) assert_equal(res.status_code, 401) def test_wiki_url_for_pointer_returns_200(self): # TODO: explain how this tests a pointer project = ProjectFactory(is_public=True) self.project.add_pointer(project, Auth(self.project.creator), save=True) url = self.project.web_url_for('project_wiki_view', wname='home') res = self.app.get(url) assert_equal(res.status_code, 200) @pytest.mark.skip('#TODO: Fix or mock mongodb for sharejs') def test_wiki_draft_returns_200(self): url = self.project.api_url_for('wiki_page_draft', wname='somerandomid') res = self.app.get(url, auth=self.user.auth) assert_equal(res.status_code, 200) def test_wiki_content_returns_200(self): url = self.project.api_url_for('wiki_page_content', wname='somerandomid') res = self.app.get(url, auth=self.user.auth) assert_equal(res.status_code, 200) @mock.patch('addons.wiki.models.NodeWikiPage.rendered_before_update', new_callable=mock.PropertyMock) def test_wiki_content_rendered_before_update(self, mock_rendered_before_update): content = 'Some content' self.project.update_node_wiki('somerandomid', content, Auth(self.user)) self.project.save() mock_rendered_before_update.return_value = True url = self.project.api_url_for('wiki_page_content', wname='somerandomid') res = self.app.get(url, auth=self.user.auth) assert_true(res.json['rendered_before_update']) mock_rendered_before_update.return_value = False res = self.app.get(url, auth=self.user.auth) assert_false(res.json['rendered_before_update']) def test_wiki_url_for_component_returns_200(self): component = NodeFactory(parent=self.project, is_public=True) url = component.web_url_for('project_wiki_view', wname='home') res = self.app.get(url) assert_equal(res.status_code, 200) def test_project_wiki_edit_post(self): self.project.update_node_wiki( 'home', content='old content', auth=Auth(self.project.creator) ) url = self.project.web_url_for('project_wiki_edit_post', wname='home') res = self.app.post(url, {'content': 'new content'}, auth=self.user.auth).follow() assert_equal(res.status_code, 200) self.project.reload() # page was updated with new content new_wiki = self.project.get_wiki_page('home') assert_equal(new_wiki.content, 'new content') def test_project_wiki_edit_post_with_new_wname_and_no_content(self): # note: forward slashes not allowed in page_name page_name = fake.catch_phrase().replace('/', ' ') old_wiki_page_count = NodeWikiPage.find().count() url = self.project.web_url_for('project_wiki_edit_post', wname=page_name) # User submits to edit form with no content res = self.app.post(url, {'content': ''}, auth=self.user.auth).follow() assert_equal(res.status_code, 200) new_wiki_page_count = NodeWikiPage.find().count() # A new wiki page was created in the db assert_equal(new_wiki_page_count, old_wiki_page_count + 1) # Node now has the new wiki page associated with it self.project.reload() new_page = self.project.get_wiki_page(page_name) assert_is_not_none(new_page) def test_project_wiki_edit_post_with_new_wname_and_content(self): # note: forward slashes not allowed in page_name page_name = fake.catch_phrase().replace('/', ' ') page_content = fake.bs() old_wiki_page_count = NodeWikiPage.find().count() url = self.project.web_url_for('project_wiki_edit_post', wname=page_name) # User submits to edit form with no content res = self.app.post(url, {'content': page_content}, auth=self.user.auth).follow() assert_equal(res.status_code, 200) new_wiki_page_count = NodeWikiPage.find().count() # A new wiki page was created in the db assert_equal(new_wiki_page_count, old_wiki_page_count + 1) # Node now has the new wiki page associated with it self.project.reload() new_page = self.project.get_wiki_page(page_name) assert_is_not_none(new_page) # content was set assert_equal(new_page.content, page_content) def test_project_wiki_edit_post_with_non_ascii_title(self): # regression test for https://github.com/CenterForOpenScience/openscienceframework.org/issues/1040 # wname doesn't exist in the db, so it will be created new_wname = u'øˆ∆´ƒøßå√ß' url = self.project.web_url_for('project_wiki_edit_post', wname=new_wname) res = self.app.post(url, {'content': 'new content'}, auth=self.user.auth).follow() assert_equal(res.status_code, 200) self.project.reload() wiki = self.project.get_wiki_page(new_wname) assert_equal(wiki.page_name, new_wname) # updating content should return correct url as well. res = self.app.post(url, {'content': 'updated content'}, auth=self.user.auth).follow() assert_equal(res.status_code, 200) def test_project_wiki_edit_post_with_special_characters(self): new_wname = 'title: ' + SPECIAL_CHARACTERS_ALLOWED new_wiki_content = 'content: ' + SPECIAL_CHARACTERS_ALL url = self.project.web_url_for('project_wiki_edit_post', wname=new_wname) res = self.app.post(url, {'content': new_wiki_content}, auth=self.user.auth).follow() assert_equal(res.status_code, 200) self.project.reload() wiki = self.project.get_wiki_page(new_wname) assert_equal(wiki.page_name, new_wname) assert_equal(wiki.content, new_wiki_content) assert_equal(res.status_code, 200) def test_wiki_edit_get_home(self): url = self.project.web_url_for('project_wiki_view', wname='home') res = self.app.get(url, auth=self.user.auth) assert_equal(res.status_code, 200) def test_project_wiki_view_scope(self): self.project.update_node_wiki('home', 'Version 1', Auth(self.user)) self.project.update_node_wiki('home', 'Version 2', Auth(self.user)) self.project.save() url = self.project.web_url_for('project_wiki_view', wname='home', view=2) res = self.app.get(url, auth=self.user.auth) assert_equal(res.status_code, 200) url = self.project.web_url_for('project_wiki_view', wname='home', view=3) res = self.app.get(url, auth=self.user.auth, expect_errors=True) assert_equal(res.status_code, 400) url = self.project.web_url_for('project_wiki_view', wname='home', view=0) res = self.app.get(url, auth=self.user.auth, expect_errors=True) assert_equal(res.status_code, 400) def test_project_wiki_compare_returns_200(self): self.project.update_node_wiki('home', 'updated content', Auth(self.user)) self.project.save() url = self.project.web_url_for('project_wiki_view', wname='home') + '?compare' res = self.app.get(url, auth=self.user.auth) assert_equal(res.status_code, 200) def test_project_wiki_compare_scope(self): self.project.update_node_wiki('home', 'Version 1', Auth(self.user)) self.project.update_node_wiki('home', 'Version 2', Auth(self.user)) self.project.save() url = self.project.web_url_for('project_wiki_view', wname='home', compare=2) res = self.app.get(url, auth=self.user.auth) assert_equal(res.status_code, 200) url = self.project.web_url_for('project_wiki_view', wname='home', compare=3) res = self.app.get(url, auth=self.user.auth, expect_errors=True) assert_equal(res.status_code, 400) url = self.project.web_url_for('project_wiki_view', wname='home', compare=0) res = self.app.get(url, auth=self.user.auth, expect_errors=True) assert_equal(res.status_code, 400) def test_wiki_page_creation_strips_whitespace(self): # Regression test for: # https://github.com/CenterForOpenScience/openscienceframework.org/issues/1080 # wname has a trailing space url = self.project.web_url_for('project_wiki_view', wname='cupcake ') res = self.app.post(url, {'content': 'blah'}, auth=self.user.auth).follow() assert_equal(res.status_code, 200) self.project.reload() wiki = self.project.get_wiki_page('cupcake') assert_is_not_none(wiki) def test_wiki_validate_name(self): url = self.project.api_url_for('project_wiki_validate_name', wname='Capslock') res = self.app.get(url, auth=self.user.auth) assert_equal(res.status_code, 200) def test_wiki_validate_name_creates_blank_page(self): url = self.project.api_url_for('project_wiki_validate_name', wname='newpage', auth=self.consolidate_auth) self.app.get(url, auth=self.user.auth) self.project.reload() assert_in('newpage', self.project.wiki_pages_current) def test_wiki_validate_name_collision_doesnt_clear(self): self.project.update_node_wiki('oldpage', 'some text', self.consolidate_auth) url = self.project.api_url_for('project_wiki_validate_name', wname='oldpage', auth=self.consolidate_auth) res = self.app.get(url, auth=self.user.auth, expect_errors=True) assert_equal(res.status_code, 409) url = self.project.api_url_for('wiki_page_content', wname='oldpage', auth=self.consolidate_auth) res = self.app.get(url, auth=self.user.auth) assert_equal(res.json['wiki_content'], 'some text') def test_wiki_validate_name_cannot_create_home(self): url = self.project.api_url_for('project_wiki_validate_name', wname='home') res = self.app.get(url, auth=self.user.auth, expect_errors=True) assert_equal(res.status_code, 409) def test_project_wiki_validate_name_mixed_casing(self): url = self.project.api_url_for('project_wiki_validate_name', wname='CaPsLoCk') res = self.app.get(url, auth=self.user.auth) assert_equal(res.status_code, 200) assert_not_in('capslock', self.project.wiki_pages_current) self.project.update_node_wiki('CaPsLoCk', 'hello', self.consolidate_auth) assert_in('capslock', self.project.wiki_pages_current) def test_project_wiki_validate_name_diplay_correct_capitalization(self): url = self.project.api_url_for('project_wiki_validate_name', wname='CaPsLoCk') res = self.app.get(url, auth=self.user.auth) assert_equal(res.status_code, 200) assert_in('CaPsLoCk', res) def test_project_wiki_validate_name_conflict_different_casing(self): url = self.project.api_url_for('project_wiki_validate_name', wname='CAPSLOCK') res = self.app.get(url, auth=self.user.auth) assert_equal(res.status_code, 200) self.project.update_node_wiki('CaPsLoCk', 'hello', self.consolidate_auth) assert_in('capslock', self.project.wiki_pages_current) url = self.project.api_url_for('project_wiki_validate_name', wname='capslock') res = self.app.get(url, auth=self.user.auth, expect_errors=True) assert_equal(res.status_code, 409) def test_project_dashboard_shows_no_wiki_content_text(self): # Regression test for: # https://github.com/CenterForOpenScience/openscienceframework.org/issues/1104 project = ProjectFactory(creator=self.user) url = project.web_url_for('view_project') res = self.app.get(url, auth=self.user.auth) assert_in('No wiki content', res) def test_project_dashboard_wiki_wname_get_shows_non_ascii_characters(self): # Regression test for: # https://github.com/CenterForOpenScience/openscienceframework.org/issues/1104 text = u'你好' self.project.update_node_wiki('home', text, Auth(self.user)) # can view wiki preview from project dashboard url = self.project.web_url_for('view_project') res = self.app.get(url, auth=self.user.auth) assert_in(text, res) def test_project_wiki_home_api_route(self): url = self.project.api_url_for('project_wiki_home') res = self.app.get(url, auth=self.user.auth) assert_equals(res.status_code, 302) # TODO: should this route exist? it redirects you to the web_url_for, not api_url_for. # page_url = self.project.api_url_for('project_wiki_view', wname='home') # assert_in(page_url, res.location) def test_project_wiki_home_web_route(self): page_url = self.project.web_url_for('project_wiki_view', wname='home', _guid=True) url = self.project.web_url_for('project_wiki_home') res = self.app.get(url, auth=self.user.auth) assert_equals(res.status_code, 302) assert_in(page_url, res.location) def test_wiki_id_url_get_returns_302_and_resolves(self): name = 'page by id' self.project.update_node_wiki(name, 'some content', Auth(self.project.creator)) page = self.project.get_wiki_page(name) page_url = self.project.web_url_for('project_wiki_view', wname=page.page_name, _guid=True) url = self.project.web_url_for('project_wiki_id_page', wid=page._primary_key, _guid=True) res = self.app.get(url) assert_equal(res.status_code, 302) assert_in(page_url, res.location) res = res.follow() assert_equal(res.status_code, 200) assert_in(page_url, res.request.url) def test_wiki_id_url_get_returns_404(self): url = self.project.web_url_for('project_wiki_id_page', wid='12345', _guid=True) res = self.app.get(url, expect_errors=True) assert_equal(res.status_code, 404) def test_home_is_capitalized_in_web_view(self): url = self.project.web_url_for('project_wiki_home', wid='home', _guid=True) res = self.app.get(url, auth=self.user.auth).follow(auth=self.user.auth) page_name_elem = res.html.find('span', {'id': 'pageName'}) assert_in('Home', page_name_elem.text) def test_wiki_widget_no_content(self): url = self.project.api_url_for('wiki_widget', wid='home') res = self.app.get(url, auth=self.user.auth) assert_is_none(res.json['wiki_content']) def test_wiki_widget_short_content_no_cutoff(self): short_content = 'a' * 150 self.project.update_node_wiki('home', short_content, Auth(self.user)) url = self.project.api_url_for('wiki_widget', wid='home') res = self.app.get(url, auth=self.user.auth) assert_in(short_content, res.json['wiki_content']) assert_not_in('...', res.json['wiki_content']) assert_false(res.json['more']) def test_wiki_widget_long_content_cutoff(self): long_content = 'a' * 600 self.project.update_node_wiki('home', long_content, Auth(self.user)) url = self.project.api_url_for('wiki_widget', wid='home') res = self.app.get(url, auth=self.user.auth) assert_less(len(res.json['wiki_content']), 520) # wiggle room for closing tags assert_in('...', res.json['wiki_content']) assert_true(res.json['more']) def test_wiki_widget_with_multiple_short_pages_has_more(self): project = ProjectFactory(is_public=True, creator=self.user) short_content = 'a' * 150 project.update_node_wiki('home', short_content, Auth(self.user)) project.update_node_wiki('andanotherone', short_content, Auth(self.user)) url = project.api_url_for('wiki_widget', wid='home') res = self.app.get(url, auth=self.user.auth) assert_true(res.json['more']) @mock.patch('addons.wiki.models.NodeWikiPage.rendered_before_update', new_callable=mock.PropertyMock) def test_wiki_widget_rendered_before_update(self, mock_rendered_before_update): # New pages use js renderer mock_rendered_before_update.return_value = False self.project.update_node_wiki('home', 'updated content', Auth(self.user)) url = self.project.api_url_for('wiki_widget', wid='home') res = self.app.get(url, auth=self.user.auth) assert_false(res.json['rendered_before_update']) # Old pages use a different version of js render mock_rendered_before_update.return_value = True res = self.app.get(url, auth=self.user.auth) assert_true(res.json['rendered_before_update']) def test_read_only_users_cannot_view_edit_pane(self): url = self.project.web_url_for('project_wiki_view', wname='home') # No write permissions res = self.app.get(url) assert_equal(res.status_code, 200) assert_not_in('data-osf-panel="Edit"', res.text) # Write permissions res = self.app.get(url, auth=self.user.auth) assert_equal(res.status_code, 200) assert_in('data-osf-panel="Edit"', res.text) # Publicly editable wiki = self.project.get_addon('wiki') wiki.set_editing(permissions=True, auth=self.consolidate_auth, log=True) res = self.app.get(url, auth=AuthUserFactory().auth) assert_equal(res.status_code, 200) assert_in('data-osf-panel="Edit"', res.text) # Publicly editable but not logged in res = self.app.get(url) assert_equal(res.status_code, 200) assert_not_in('data-osf-panel="Edit"', res.text) class TestViewHelpers(OsfTestCase): def setUp(self): super(TestViewHelpers, self).setUp() self.project = ProjectFactory() self.wname = 'New page' self.project.update_node_wiki(self.wname, 'some content', Auth(self.project.creator)) def test_get_wiki_web_urls(self): urls = views._get_wiki_web_urls(self.project, self.wname) assert_equal(urls['base'], self.project.web_url_for('project_wiki_home', _guid=True)) assert_equal(urls['edit'], self.project.web_url_for('project_wiki_view', wname=self.wname, _guid=True)) assert_equal(urls['home'], self.project.web_url_for('project_wiki_home', _guid=True)) assert_equal(urls['page'], self.project.web_url_for('project_wiki_view', wname=self.wname, _guid=True)) def test_get_wiki_api_urls(self): urls = views._get_wiki_api_urls(self.project, self.wname) assert_equal(urls['base'], self.project.api_url_for('project_wiki_home')) assert_equal(urls['delete'], self.project.api_url_for('project_wiki_delete', wname=self.wname)) assert_equal(urls['rename'], self.project.api_url_for('project_wiki_rename', wname=self.wname)) assert_equal(urls['content'], self.project.api_url_for('wiki_page_content', wname=self.wname)) assert_equal(urls['settings'], self.project.api_url_for('edit_wiki_settings')) class TestWikiDelete(OsfTestCase): def setUp(self): super(TestWikiDelete, self).setUp() creator = AuthUserFactory() self.project = ProjectFactory(is_public=True, creator=creator) self.consolidate_auth = Auth(user=self.project.creator) self.auth = creator.auth self.project.update_node_wiki('Elephants', 'Hello Elephants', self.consolidate_auth) self.project.update_node_wiki('Lions', 'Hello Lions', self.consolidate_auth) self.elephant_wiki = self.project.get_wiki_page('Elephants') self.lion_wiki = self.project.get_wiki_page('Lions') @mock.patch('addons.wiki.utils.broadcast_to_sharejs') def test_project_wiki_delete(self, mock_shrejs): assert_in('elephants', self.project.wiki_pages_current) url = self.project.api_url_for( 'project_wiki_delete', wname='elephants' ) self.app.delete( url, auth=self.auth ) self.project.reload() assert_not_in('elephants', self.project.wiki_pages_current) @mock.patch('addons.wiki.utils.broadcast_to_sharejs') def test_project_wiki_delete_w_valid_special_characters(self, mock_sharejs): # TODO: Need to understand why calling update_node_wiki with failure causes transaction rollback issue later # with assert_raises(NameInvalidError): # self.project.update_node_wiki(SPECIAL_CHARACTERS_ALL, 'Hello Special Characters', self.consolidate_auth) self.project.update_node_wiki(SPECIAL_CHARACTERS_ALLOWED, 'Hello Special Characters', self.consolidate_auth) self.special_characters_wiki = self.project.get_wiki_page(SPECIAL_CHARACTERS_ALLOWED) assert_in(to_mongo_key(SPECIAL_CHARACTERS_ALLOWED), self.project.wiki_pages_current) url = self.project.api_url_for( 'project_wiki_delete', wname=SPECIAL_CHARACTERS_ALLOWED ) self.app.delete( url, auth=self.auth ) self.project.reload() assert_not_in(to_mongo_key(SPECIAL_CHARACTERS_ALLOWED), self.project.wiki_pages_current) @mock.patch('addons.wiki.utils.broadcast_to_sharejs') def test_wiki_versions_do_not_reappear_after_delete(self, mock_sharejs): # Creates a wiki page self.project.update_node_wiki('Hippos', 'Hello hippos', self.consolidate_auth) # Edits it two times assert_equal(len(self.project.wiki_pages_versions['hippos']), 1) self.project.update_node_wiki('Hippos', 'Hello hippopotamus', self.consolidate_auth) assert_equal(len(self.project.wiki_pages_versions['hippos']), 2) # Deletes the wiki page self.project.delete_node_wiki('Hippos', self.consolidate_auth) assert_true('hippos' not in self.project.wiki_pages_versions) # Creates new wiki with same name self.project.update_node_wiki('Hippos', 'Hello again hippos', self.consolidate_auth) assert_equal(len(self.project.wiki_pages_versions['hippos']), 1) self.project.update_node_wiki('Hippos', 'Hello again hippopotamus', self.consolidate_auth) assert_equal(len(self.project.wiki_pages_versions['hippos']), 2) class TestWikiRename(OsfTestCase): def setUp(self): super(TestWikiRename, self).setUp() creator = AuthUserFactory() self.project = ProjectFactory(is_public=True, creator=creator) self.consolidate_auth = Auth(user=self.project.creator) self.auth = creator.auth self.project.update_node_wiki('home', 'Hello world', self.consolidate_auth) self.page_name = 'page2' self.project.update_node_wiki(self.page_name, 'content', self.consolidate_auth) self.project.save() self.page = self.project.get_wiki_page(self.page_name) self.wiki = self.project.get_wiki_page('home') self.url = self.project.api_url_for( 'project_wiki_rename', wname=self.page_name, ) @mock.patch('addons.wiki.utils.broadcast_to_sharejs') def test_rename_wiki_page_valid(self, mock_sharejs, new_name=u'away'): self.app.put_json( self.url, {'value': new_name}, auth=self.auth ) self.project.reload() old_wiki = self.project.get_wiki_page(self.page_name) assert_false(old_wiki) new_wiki = self.project.get_wiki_page(new_name) assert_true(new_wiki) assert_equal(new_wiki._primary_key, self.page._primary_key) assert_equal(new_wiki.content, self.page.content) assert_equal(new_wiki.version, self.page.version) def test_rename_wiki_page_invalid(self, new_name=u'invalid/name'): res = self.app.put_json( self.url, {'value': new_name}, auth=self.auth, expect_errors=True, ) assert_equal(http.BAD_REQUEST, res.status_code) assert_equal(res.json['message_short'], 'Invalid name') assert_equal(res.json['message_long'], 'Page name cannot contain forward slashes.') self.project.reload() old_wiki = self.project.get_wiki_page(self.page_name) assert_true(old_wiki) def test_rename_wiki_page_duplicate(self): self.project.update_node_wiki('away', 'Hello world', self.consolidate_auth) new_name = 'away' res = self.app.put_json( self.url, {'value': new_name}, auth=self.auth, expect_errors=True, ) assert_equal(res.status_code, 409) def test_rename_wiki_name_not_found(self): url = self.project.api_url_for('project_wiki_rename', wname='not_found_page_name') res = self.app.put_json(url, {'value': 'new name'}, auth=self.auth, expect_errors=True) assert_equal(res.status_code, 404) def test_cannot_rename_wiki_page_to_home(self): user = AuthUserFactory() # A fresh project where the 'home' wiki page has no content project = ProjectFactory(creator=user) project.update_node_wiki('Hello', 'hello world', Auth(user=user)) url = project.api_url_for('project_wiki_rename', wname=to_mongo_key('Hello')) res = self.app.put_json(url, {'value': 'home'}, auth=user.auth, expect_errors=True) assert_equal(res.status_code, 409) def test_rename_wiki_name_with_value_missing(self): # value is missing res = self.app.put_json(self.url, {}, auth=self.auth, expect_errors=True) assert_equal(res.status_code, 400) def test_rename_wiki_page_duplicate_different_casing(self): # attempt to rename 'page2' from setup to different case of 'away'. old_name = 'away' new_name = 'AwAy' self.project.update_node_wiki(old_name, 'Hello world', self.consolidate_auth) res = self.app.put_json( self.url, {'value': new_name}, auth=self.auth, expect_errors=True ) assert_equal(res.status_code, 409) @mock.patch('addons.wiki.utils.broadcast_to_sharejs') def test_rename_wiki_page_same_name_different_casing(self, mock_sharejs): old_name = 'away' new_name = 'AWAY' self.project.update_node_wiki(old_name, 'Hello world', self.consolidate_auth) url = self.project.api_url_for('project_wiki_rename', wname=old_name) res = self.app.put_json( url, {'value': new_name}, auth=self.auth, expect_errors=False ) assert_equal(res.status_code, 200) def test_cannot_rename_home_page(self): url = self.project.api_url_for('project_wiki_rename', wname='home') res = self.app.put_json(url, {'value': 'homelol'}, auth=self.auth, expect_errors=True) assert_equal(res.status_code, 400) @mock.patch('addons.wiki.utils.broadcast_to_sharejs') def test_can_rename_to_a_deleted_page(self, mock_sharejs): self.project.delete_node_wiki(self.page_name, self.consolidate_auth) self.project.save() # Creates a new page self.project.update_node_wiki('page3', 'moarcontent', self.consolidate_auth) self.project.save() # Renames the wiki to the deleted page url = self.project.api_url_for('project_wiki_rename', wname='page3') res = self.app.put_json(url, {'value': self.page_name}, auth=self.auth) assert_equal(res.status_code, 200) def test_rename_wiki_page_with_valid_html(self): # script is not an issue since data is sanitized via bleach or mako before display. self.test_rename_wiki_page_valid(new_name=u'<html>hello<html>') def test_rename_wiki_page_with_invalid_html(self): # script is not an issue since data is sanitized via bleach or mako before display. # with that said routes still do not accept forward slashes self.test_rename_wiki_page_invalid(new_name=u'<html>hello</html>') def test_rename_wiki_page_with_non_ascii_title(self): self.test_rename_wiki_page_valid(new_name=u'øˆ∆´ƒøßå√ß') def test_rename_wiki_page_with_valid_special_character_title(self): self.test_rename_wiki_page_valid(new_name=SPECIAL_CHARACTERS_ALLOWED) def test_rename_wiki_page_with_invalid_special_character_title(self): self.test_rename_wiki_page_invalid(new_name=SPECIAL_CHARACTERS_ALL) class TestWikiLinks(OsfTestCase): def test_links(self): user = AuthUserFactory() project = ProjectFactory(creator=user) wiki = NodeWikiFactory( content='[[wiki2]]', user=user, node=project, ) assert_in( '/{}/wiki/wiki2/'.format(project._id), wiki.html(project), ) # Regression test for https://sentry.osf.io/osf/production/group/310/ def test_bad_links(self): content = u'<span></span><iframe src="http://httpbin.org/"></iframe>' node = ProjectFactory() wiki = NodeWikiFactory(content=content, node=node) expected = render_content(content, node) assert_equal(expected, wiki.html(node)) class TestWikiUuid(OsfTestCase): def setUp(self): super(TestWikiUuid, self).setUp() self.user = AuthUserFactory() self.project = ProjectFactory(is_public=True, creator=self.user) self.wname = 'foo.bar' self.wkey = to_mongo_key(self.wname) def test_uuid_generated_once(self): assert_is_none(self.project.wiki_private_uuids.get(self.wkey)) url = self.project.web_url_for('project_wiki_view', wname=self.wname) res = self.app.get(url, auth=self.user.auth) assert_equal(res.status_code, 200) self.project.reload() private_uuid = self.project.wiki_private_uuids.get(self.wkey) assert_true(private_uuid) assert_not_in(private_uuid, res.body) assert_in(get_sharejs_uuid(self.project, self.wname), res.body) # Revisit page; uuid has not changed res = self.app.get(url, auth=self.user.auth) assert_equal(res.status_code, 200) self.project.reload() assert_equal(private_uuid, self.project.wiki_private_uuids.get(self.wkey)) def test_uuid_not_visible_without_write_permission(self): self.project.update_node_wiki(self.wname, 'some content', Auth(self.user)) self.project.save() assert_is_none(self.project.wiki_private_uuids.get(self.wkey)) url = self.project.web_url_for('project_wiki_view', wname=self.wname) res = self.app.get(url, auth=self.user.auth) assert_equal(res.status_code, 200) self.project.reload() private_uuid = self.project.wiki_private_uuids.get(self.wkey) assert_true(private_uuid) assert_not_in(private_uuid, res.body) assert_in(get_sharejs_uuid(self.project, self.wname), res.body) # Users without write permission should not be able to access res = self.app.get(url) assert_equal(res.status_code, 200) assert_not_in(get_sharejs_uuid(self.project, self.wname), res.body) def test_uuid_not_generated_without_write_permission(self): self.project.update_node_wiki(self.wname, 'some content', Auth(self.user)) self.project.save() assert_is_none(self.project.wiki_private_uuids.get(self.wkey)) url = self.project.web_url_for('project_wiki_view', wname=self.wname) res = self.app.get(url) assert_equal(res.status_code, 200) self.project.reload() private_uuid = self.project.wiki_private_uuids.get(self.wkey) assert_is_none(private_uuid) def test_uuids_differ_between_pages(self): wname1 = 'foo.bar' url1 = self.project.web_url_for('project_wiki_view', wname=wname1) res1 = self.app.get(url1, auth=self.user.auth) assert_equal(res1.status_code, 200) wname2 = 'bar.baz' url2 = self.project.web_url_for('project_wiki_view', wname=wname2) res2 = self.app.get(url2, auth=self.user.auth) assert_equal(res2.status_code, 200) self.project.reload() uuid1 = get_sharejs_uuid(self.project, wname1) uuid2 = get_sharejs_uuid(self.project, wname2) assert_not_equal(uuid1, uuid2) assert_in(uuid1, res1) assert_in(uuid2, res2) assert_not_in(uuid1, res2) assert_not_in(uuid2, res1) def test_uuids_differ_between_forks(self): url = self.project.web_url_for('project_wiki_view', wname=self.wname) project_res = self.app.get(url, auth=self.user.auth) assert_equal(project_res.status_code, 200) self.project.reload() fork = self.project.fork_node(Auth(self.user)) assert_true(fork.is_fork_of(self.project)) fork_url = fork.web_url_for('project_wiki_view', wname=self.wname) fork_res = self.app.get(fork_url, auth=self.user.auth) assert_equal(fork_res.status_code, 200) fork.reload() # uuids are not copied over to forks assert_not_equal( self.project.wiki_private_uuids.get(self.wkey), fork.wiki_private_uuids.get(self.wkey) ) project_uuid = get_sharejs_uuid(self.project, self.wname) fork_uuid = get_sharejs_uuid(fork, self.wname) assert_not_equal(project_uuid, fork_uuid) assert_in(project_uuid, project_res) assert_in(fork_uuid, fork_res) assert_not_in(project_uuid, fork_res) assert_not_in(fork_uuid, project_res) @pytest.mark.skip('#TODO: Fix or mock mongodb for sharejs') @mock.patch('addons.wiki.utils.broadcast_to_sharejs') def test_migration_does_not_affect_forks(self, mock_sharejs): original_uuid = generate_private_uuid(self.project, self.wname) self.project.update_node_wiki(self.wname, 'Hello world', Auth(self.user)) fork = self.project.fork_node(Auth(self.user)) assert_equal(fork.wiki_private_uuids.get(self.wkey), None) migrate_uuid(self.project, self.wname) assert_not_equal(original_uuid, self.project.wiki_private_uuids.get(self.wkey)) assert_equal(fork.wiki_private_uuids.get(self.wkey), None) @mock.patch('addons.wiki.utils.broadcast_to_sharejs') def test_uuid_persists_after_delete(self, mock_sharejs): assert_is_none(self.project.wiki_private_uuids.get(self.wkey)) # Create wiki page self.project.update_node_wiki(self.wname, 'Hello world', Auth(self.user)) # Visit wiki edit page edit_url = self.project.web_url_for('project_wiki_view', wname=self.wname) res = self.app.get(edit_url, auth=self.user.auth) assert_equal(res.status_code, 200) self.project.reload() original_private_uuid = self.project.wiki_private_uuids.get(self.wkey) original_sharejs_uuid = get_sharejs_uuid(self.project, self.wname) # Delete wiki delete_url = self.project.api_url_for('project_wiki_delete', wname=self.wname) res = self.app.delete(delete_url, auth=self.user.auth) assert_equal(res.status_code, 200) self.project.reload() assert_equal(original_private_uuid, self.project.wiki_private_uuids.get(self.wkey)) # Revisit wiki edit page res = self.app.get(edit_url, auth=self.user.auth) assert_equal(res.status_code, 200) self.project.reload() assert_equal(original_private_uuid, self.project.wiki_private_uuids.get(self.wkey)) assert_in(original_sharejs_uuid, res.body) @mock.patch('addons.wiki.utils.broadcast_to_sharejs') def test_uuid_persists_after_rename(self, mock_sharejs): new_wname = 'bar.baz' new_wkey = to_mongo_key(new_wname) assert_is_none(self.project.wiki_private_uuids.get(self.wkey)) assert_is_none(self.project.wiki_private_uuids.get(new_wkey)) # Create wiki page self.project.update_node_wiki(self.wname, 'Hello world', Auth(self.user)) wiki_page = self.project.get_wiki_page(self.wname) # Visit wiki edit page original_edit_url = self.project.web_url_for('project_wiki_view', wname=self.wname) res = self.app.get(original_edit_url, auth=self.user.auth) assert_equal(res.status_code, 200) self.project.reload() original_private_uuid = self.project.wiki_private_uuids.get(self.wkey) original_sharejs_uuid = get_sharejs_uuid(self.project, self.wname) # Rename wiki rename_url = self.project.api_url_for('project_wiki_rename', wname=self.wname) res = self.app.put_json( rename_url, {'value': new_wname, 'pk': wiki_page._id}, auth=self.user.auth, ) assert_equal(res.status_code, 200) self.project.reload() assert_is_none(self.project.wiki_private_uuids.get(self.wkey)) assert_equal(original_private_uuid, self.project.wiki_private_uuids.get(new_wkey)) # Revisit original wiki edit page res = self.app.get(original_edit_url, auth=self.user.auth) assert_equal(res.status_code, 200) self.project.reload() assert_not_equal(original_private_uuid, self.project.wiki_private_uuids.get(self.wkey)) assert_not_in(original_sharejs_uuid, res.body) @pytest.mark.skip('#TODO: Fix or mock mongodb for sharejs') class TestWikiShareJSMongo(OsfTestCase): @classmethod def setUpClass(cls): super(TestWikiShareJSMongo, cls).setUpClass() cls._original_sharejs_db_name = settings.SHAREJS_DB_NAME settings.SHAREJS_DB_NAME = 'sharejs_test' def setUp(self): super(TestWikiShareJSMongo, self).setUp() self.user = AuthUserFactory() self.project = ProjectFactory(is_public=True, creator=self.user) self.wname = 'foo.bar' self.wkey = to_mongo_key(self.wname) self.private_uuid = generate_private_uuid(self.project, self.wname) self.sharejs_uuid = get_sharejs_uuid(self.project, self.wname) # Create wiki page self.project.update_node_wiki(self.wname, 'Hello world', Auth(self.user)) self.wiki_page = self.project.get_wiki_page(self.wname) # Insert mongo data for current project/wiki self.db = share_db() example_uuid = EXAMPLE_DOCS[0]['_id'] self.example_docs = deepcopy(EXAMPLE_DOCS) self.example_docs[0]['_id'] = self.sharejs_uuid self.db.docs.insert(self.example_docs) self.example_ops = deepcopy(EXAMPLE_OPS) for item in self.example_ops: item['_id'] = item['_id'].replace(example_uuid, self.sharejs_uuid) item['name'] = item['name'].replace(example_uuid, self.sharejs_uuid) self.db.docs_ops.insert(self.example_ops) @mock.patch('addons.wiki.utils.broadcast_to_sharejs') def test_migrate_uuid(self, mock_sharejs): migrate_uuid(self.project, self.wname) assert_is_none(self.db.docs.find_one({'_id': self.sharejs_uuid})) assert_is_none(self.db.docs_ops.find_one({'name': self.sharejs_uuid})) new_sharejs_uuid = get_sharejs_uuid(self.project, self.wname) assert_equal( EXAMPLE_DOCS[0]['_data'], self.db.docs.find_one({'_id': new_sharejs_uuid})['_data'] ) assert_equal( len([item for item in self.example_ops if item['name'] == self.sharejs_uuid]), len([item for item in self.db.docs_ops.find({'name': new_sharejs_uuid})]) ) @mock.patch('addons.wiki.utils.broadcast_to_sharejs') def test_migrate_uuid_no_mongo(self, mock_sharejs): # Case where no edits have been made to the wiki wname = 'bar.baz' wkey = to_mongo_key(wname) share_uuid = generate_private_uuid(self.project, wname) sharejs_uuid = get_sharejs_uuid(self.project, wname) self.project.update_node_wiki(wname, 'Hello world', Auth(self.user)) migrate_uuid(self.project, wname) assert_not_equal(share_uuid, self.project.wiki_private_uuids.get(wkey)) assert_is_none(self.db.docs.find_one({'_id': sharejs_uuid})) assert_is_none(self.db.docs_ops.find_one({'name': sharejs_uuid})) @mock.patch('addons.wiki.utils.broadcast_to_sharejs') def test_migrate_uuid_updates_node(self, mock_sharejs): migrate_uuid(self.project, self.wname) assert_not_equal(self.private_uuid, self.project.wiki_private_uuids[self.wkey]) @mock.patch('addons.wiki.utils.broadcast_to_sharejs') def test_manage_contributors_updates_uuid(self, mock_sharejs): user = UserFactory() self.project.add_contributor( contributor=user, permissions=['read', 'write', 'admin'], auth=Auth(user=self.user), ) self.project.save() assert_equal(self.private_uuid, self.project.wiki_private_uuids[self.wkey]) # Removing admin permission does nothing self.project.manage_contributors( user_dicts=[ {'id': user._id, 'permission': 'write', 'visible': True}, {'id': self.user._id, 'permission': 'admin', 'visible': True}, ], auth=Auth(user=self.user), save=True, ) assert_equal(self.private_uuid, self.project.wiki_private_uuids[self.wkey]) # Removing write permission migrates uuid self.project.manage_contributors( user_dicts=[ {'id': user._id, 'permission': 'read', 'visible': True}, {'id': self.user._id, 'permission': 'admin', 'visible': True}, ], auth=Auth(user=self.user), save=True, ) assert_not_equal(self.private_uuid, self.project.wiki_private_uuids[self.wkey]) @mock.patch('addons.wiki.utils.broadcast_to_sharejs') def test_delete_share_doc(self, mock_sharejs): delete_share_doc(self.project, self.wname) assert_is_none(self.db.docs.find_one({'_id': self.sharejs_uuid})) assert_is_none(self.db.docs_ops.find_one({'name': self.sharejs_uuid})) @mock.patch('addons.wiki.utils.broadcast_to_sharejs') def test_delete_share_doc_updates_node(self, mock_sharejs): assert_equal(self.private_uuid, self.project.wiki_private_uuids[self.wkey]) delete_share_doc(self.project, self.wname) assert_not_in(self.wkey, self.project.wiki_private_uuids) def test_get_draft(self): # draft is current with latest wiki save current_content = self.wiki_page.get_draft(self.project) assert_equals(current_content, self.wiki_page.content) # modify the sharejs wiki page contents and ensure we # return the draft contents new_content = 'I am a teapot' new_time = int(time.time() * 1000) + 10000 new_version = self.example_docs[0]['_v'] + 1 self.db.docs.update( {'_id': self.sharejs_uuid}, {'$set': { '_v': new_version, '_m.mtime': new_time, '_data': new_content }} ) current_content = self.wiki_page.get_draft(self.project) assert_equals(current_content, new_content) def tearDown(self): super(TestWikiShareJSMongo, self).tearDown() self.db.drop_collection('docs') self.db.drop_collection('docs_ops') @classmethod def tearDownClass(cls): share_db().connection.drop_database(settings.SHAREJS_DB_NAME) settings.SHARE_DATABASE_NAME = cls._original_sharejs_db_name class TestWikiUtils(OsfTestCase): def setUp(self): super(TestWikiUtils, self).setUp() self.project = ProjectFactory() def test_get_sharejs_uuid(self): wname = 'foo.bar' wname2 = 'bar.baz' private_uuid = generate_private_uuid(self.project, wname) sharejs_uuid = get_sharejs_uuid(self.project, wname) # Provides consistent results assert_equal(sharejs_uuid, get_sharejs_uuid(self.project, wname)) # Provides obfuscation assert_not_in(wname, sharejs_uuid) assert_not_in(sharejs_uuid, wname) assert_not_in(private_uuid, sharejs_uuid) assert_not_in(sharejs_uuid, private_uuid) # Differs based on share uuid provided assert_not_equal(sharejs_uuid, get_sharejs_uuid(self.project, wname2)) # Differs across projects and forks project = ProjectFactory() assert_not_equal(sharejs_uuid, get_sharejs_uuid(project, wname)) fork = self.project.fork_node(Auth(self.project.creator)) assert_not_equal(sharejs_uuid, get_sharejs_uuid(fork, wname)) def test_generate_share_uuid(self): wname = 'bar.baz' wkey = to_mongo_key(wname) assert_is_none(self.project.wiki_private_uuids.get(wkey)) share_uuid = generate_private_uuid(self.project, wname) self.project.reload() assert_equal(self.project.wiki_private_uuids[wkey], share_uuid) new_uuid = generate_private_uuid(self.project, wname) self.project.reload() assert_not_equal(share_uuid, new_uuid) assert_equal(self.project.wiki_private_uuids[wkey], new_uuid) def test_format_wiki_version(self): assert_is_none(format_wiki_version(None, 5, False)) assert_is_none(format_wiki_version('', 5, False)) assert_equal(format_wiki_version('3', 5, False), 3) assert_equal(format_wiki_version('4', 5, False), 'previous') assert_equal(format_wiki_version('5', 5, False), 'current') assert_equal(format_wiki_version('previous', 5, False), 'previous') assert_equal(format_wiki_version('current', 5, False), 'current') assert_equal(format_wiki_version('preview', 5, True), 'preview') assert_equal(format_wiki_version('current', 0, False), 'current') assert_equal(format_wiki_version('preview', 0, True), 'preview') with assert_raises(InvalidVersionError): format_wiki_version('1', 0, False) with assert_raises(InvalidVersionError): format_wiki_version('previous', 0, False) with assert_raises(InvalidVersionError): format_wiki_version('6', 5, False) with assert_raises(InvalidVersionError): format_wiki_version('0', 5, False) with assert_raises(InvalidVersionError): format_wiki_version('preview', 5, False) with assert_raises(InvalidVersionError): format_wiki_version('nonsense', 5, True) class TestPublicWiki(OsfTestCase): def setUp(self): super(TestPublicWiki, self).setUp() self.project = ProjectFactory() self.consolidate_auth = Auth(user=self.project.creator) self.user = AuthUserFactory() def test_addon_on_children(self): parent = ProjectFactory() node = NodeFactory(parent=parent, category='project') sub_component = NodeFactory(parent=node) parent.delete_addon('wiki', self.consolidate_auth) node.delete_addon('wiki', self.consolidate_auth) sub_component.delete_addon('wiki', self.consolidate_auth) NodeFactory(parent=node) has_addon_on_child_node =\ node.has_addon_on_children('wiki') assert_true(has_addon_on_child_node) def test_check_user_has_addon_excludes_deleted_components(self): parent = ProjectFactory() parent.delete_addon('wiki', self.consolidate_auth) node = NodeFactory(parent=parent, category='project') node.delete_addon('wiki', self.consolidate_auth) sub_component = NodeFactory(parent=node) sub_component.is_deleted = True sub_component.save() has_addon_on_child_node =\ node.has_addon_on_children('wiki') assert_false(has_addon_on_child_node) def test_set_editing(self): parent = ProjectFactory() node = NodeFactory(parent=parent, category='project', is_public=True) wiki = node.get_addon('wiki') # Set as publicly editable wiki.set_editing(permissions=True, auth=self.consolidate_auth, log=True) assert_true(wiki.is_publicly_editable) assert_equal(node.logs.latest().action, 'made_wiki_public') # Try to set public when the wiki is already public with assert_raises(NodeStateError): wiki.set_editing(permissions=True, auth=self.consolidate_auth, log=False) # Turn off public editing wiki.set_editing(permissions=False, auth=self.consolidate_auth, log=True) assert_false(wiki.is_publicly_editable) assert_equal(node.logs.latest().action, 'made_wiki_private') node = NodeFactory(parent=parent, category='project') wiki = node.get_addon('wiki') # Try to set to private wiki already private with assert_raises(NodeStateError): wiki.set_editing(permissions=False, auth=self.consolidate_auth, log=False) # Try to set public when the project is private with assert_raises(NodeStateError): wiki.set_editing(permissions=True, auth=self.consolidate_auth, log=False) def test_serialize_wiki_settings(self): node = NodeFactory(parent=self.project, creator=self.user, is_public=True) node.get_addon('wiki').set_editing( permissions=True, auth=self.consolidate_auth, log=True) data = serialize_wiki_settings(self.user, [node]) expected = [{ 'node': { 'id': node._id, 'title': node.title, 'url': node.url, }, 'children': [ { 'select': { 'title': 'permission', 'permission': 'public' }, } ], 'kind': 'folder', 'nodeType': 'component', 'category': 'hypothesis', 'permissions': {'view': True} }] assert_equal(data, expected) def test_serialize_wiki_settings(self): node = NodeFactory(parent=self.project, creator=self.user, is_public=True) node.get_addon('wiki').set_editing( permissions=True, auth=self.consolidate_auth, log=True) node.add_pointer(self.project, Auth(self.user)) node.save() data = serialize_wiki_settings(self.user, [node]) expected = [{ 'node': { 'id': node._id, 'title': node.title, 'url': node.url, }, 'children': [ { 'select': { 'title': 'permission', 'permission': 'public' }, } ], 'kind': 'folder', 'nodeType': 'component', 'category': 'hypothesis', 'permissions': {'view': True} }] assert_equal(data, expected) def test_serialize_wiki_settings_no_wiki(self): node = NodeFactory(parent=self.project, creator=self.user) node.delete_addon('wiki', self.consolidate_auth) data = serialize_wiki_settings(self.user, [node]) expected = [] assert_equal(data, expected) class TestWikiMenu(OsfTestCase): def setUp(self): super(TestWikiMenu, self).setUp() self.user = UserFactory() self.project = ProjectFactory(creator=self.user, is_public=True) self.component = NodeFactory(creator=self.user, parent=self.project, is_public=True) self.consolidate_auth = Auth(user=self.project.creator) self.non_contributor = UserFactory() def test_format_home_wiki_page_no_content(self): data = views.format_home_wiki_page(self.project) expected = { 'page': { 'url': self.project.web_url_for('project_wiki_home'), 'name': 'Home', 'id': 'None', } } assert_equal(data, expected) def test_format_project_wiki_pages_contributor(self): self.project.update_node_wiki('home', 'content here', self.consolidate_auth) self.project.update_node_wiki('zoo', 'koala', self.consolidate_auth) home_page = self.project.get_wiki_page(name='home') zoo_page = self.project.get_wiki_page(name='zoo') data = views.format_project_wiki_pages(self.project, self.consolidate_auth) expected = [ { 'page': { 'url': self.project.web_url_for('project_wiki_view', wname='home', _guid=True), 'name': 'Home', 'id': home_page._primary_key, } }, { 'page': { 'url': self.project.web_url_for('project_wiki_view', wname='zoo', _guid=True), 'name': 'zoo', 'id': zoo_page._primary_key, } } ] assert_equal(data, expected) def test_format_project_wiki_pages_no_content_non_contributor(self): self.project.update_node_wiki('home', 'content here', self.consolidate_auth) self.project.update_node_wiki('zoo', '', self.consolidate_auth) home_page = self.project.get_wiki_page(name='home') data = views.format_project_wiki_pages(self.project, auth=Auth(self.non_contributor)) expected = [ { 'page': { 'url': self.project.web_url_for('project_wiki_view', wname='home', _guid=True), 'name': 'Home', 'id': home_page._primary_key, } } ] assert_equal(data, expected) def test_format_component_wiki_pages_contributor(self): self.component.update_node_wiki('home', 'home content', self.consolidate_auth) self.component.update_node_wiki('zoo', 'koala', self.consolidate_auth) zoo_page = self.component.get_wiki_page(name='zoo') expected = [ { 'page': { 'name': self.component.title, 'url': self.component.web_url_for('project_wiki_view', wname='home', _guid=True), }, 'children': [ { 'page': { 'url': self.component.web_url_for('project_wiki_view', wname='home', _guid=True), 'name': 'Home', 'id': self.component._primary_key, } }, { 'page': { 'url': self.component.web_url_for('project_wiki_view', wname='zoo', _guid=True), 'name': 'zoo', 'id': zoo_page._primary_key, }, } ], 'kind': 'component', 'category': self.component.category, 'pointer': False, } ] data = views.format_component_wiki_pages(node=self.project, auth=self.consolidate_auth) assert_equal(data, expected) def test_format_component_wiki_pages_no_content_non_contributor(self): data = views.format_component_wiki_pages(node=self.project, auth=Auth(self.non_contributor)) expected = [] assert_equal(data, expected) def test_project_wiki_grid_data(self): self.project.update_node_wiki('home', 'project content', self.consolidate_auth) self.component.update_node_wiki('home', 'component content', self.consolidate_auth) data = views.project_wiki_grid_data(auth=self.consolidate_auth, wname='home', node=self.project) expected = [ { 'title': 'Project Wiki Pages', 'kind': 'folder', 'type': 'heading', 'children': views.format_project_wiki_pages(node=self.project, auth=self.consolidate_auth), }, { 'title': 'Component Wiki Pages', 'kind': 'folder', 'type': 'heading', 'children': views.format_component_wiki_pages(node=self.project, auth=self.consolidate_auth) } ] assert_equal(data, expected)
monikagrabowska/osf.io
addons/wiki/tests/test_wiki.py
Python
apache-2.0
60,428
[ "VisIt" ]
a2f09e1091de497bebe1284b8d95c4611cb3fb1ecc8f426cbff7b2339f82b4c5
""" This is used to test the ElasticSearchDB module. It is used to discover all possible changes of Elasticsearch api. If you modify the test data, you have to update the test cases... """ import unittest import sys import datetime import time from DIRAC import gLogger from DIRAC.Core.Utilities.ElasticSearchDB import ElasticSearchDB from DIRAC.Core.Utilities.ElasticSearchDB import generateFullIndexName elHost = 'localhost' elPort = 9200 class ElasticTestCase(unittest.TestCase): """ Test of ElasticSearchDB class, using local instance """ def __init__(self, *args, **kwargs): super(ElasticTestCase, self).__init__(*args, **kwargs) self.data = [{"Color": "red", "quantity": 1, "Product": "a", "timestamp": "2015-02-09 09:00:00.0"}, {"Color": "red", "quantity": 1, "Product": "b", "timestamp": "2015-02-09 16:15:00.0"}, {"Color": "red", "quantity": 1, "Product": "b", "timestamp": "2015-02-09 16:30:00.0"}, {"Color": "red", "quantity": 1, "Product": "a", "timestamp": "2015-02-09 09:00:00.0"}, {"Color": "red", "quantity": 1, "Product": "a", "timestamp": "2015-02-09 09:15:00.0"}, {"Color": "red", "quantity": 2, "Product": "b", "timestamp": "2015-02-09 16:15:00.0"}, {"Color": "red", "quantity": 1, "Product": "a", "timestamp": "2015-02-09 09:15:00.0"}, {"Color": "red", "quantity": 2, "Product": "b", "timestamp": "2015-02-09 16:15:00.0"}, {"Color": "red", "quantity": 1, "Product": "a", "timestamp": "2015-02-09 09:15:00.0"}, {"Color": "red", "quantity": 2, "Product": "b", "timestamp": "2015-02-09 16:15:00.0"}] self.moreData = [{"Color": "red", "quantity": 1, "Product": "a", "timestamp": "2015-02-09 09:00:00.0"}, {"Color": "red", "quantity": 1, "Product": "b", "timestamp": "2015-02-09 09:15:00.0"}, {"Color": "red", "quantity": 1, "Product": "c", "timestamp": "2015-02-09 09:30:00.0"}, {"Color": "red", "quantity": 1, "Product": "d", "timestamp": "2015-02-09 10:00:00.0"}, {"Color": "red", "quantity": 1, "Product": "e", "timestamp": "2015-02-09 10:15:00.0"}, {"Color": "red", "quantity": 1, "Product": "f", "timestamp": "2015-02-09 10:30:00.0"}, {"Color": "red", "quantity": 1, "Product": "g", "timestamp": "2015-02-09 10:45:00.0"}, {"Color": "red", "quantity": 1, "Product": "h", "timestamp": "2015-02-09 11:00:00.0"}, {"Color": "red", "quantity": 1, "Product": "i", "timestamp": "2015-02-09 11:15:00.0"}, {"Color": "red", "quantity": 1, "Product": "l", "timestamp": "2015-02-09 11:30:00.0"}] self.index_name = '' self.maxDiff = None def setUp(self): gLogger.setLevel('DEBUG') self.elasticSearchDB = ElasticSearchDB(host=elHost, port=elPort, useSSL=False) def tearDown(self): pass class ElasticBulkCreateChain(ElasticTestCase): """ Chain for creating indices """ def test_bulkindex(self): """ bulk_index test """ result = self.elasticSearchDB.bulk_index('integrationtest', 'test', self.data) self.assertTrue(result['OK']) self.assertEqual(result['Value'], 10) time.sleep(5) indices = self.elasticSearchDB.getIndexes() self.assertEqual(type(indices), list) for index in indices: res = self.elasticSearchDB.deleteIndex(index) self.assertTrue(res['OK']) def test_bulkindexMonthly(self): """ bulk_index test (month) """ result = self.elasticSearchDB.bulk_index(indexprefix='integrationtestmontly', doc_type='test', data=self.data, period='month') self.assertTrue(result['OK']) self.assertEqual(result['Value'], 10) time.sleep(5) indices = self.elasticSearchDB.getIndexes() self.assertEqual(type(indices), list) for index in indices: res = self.elasticSearchDB.deleteIndex(index) self.assertTrue(res['OK']) class ElasticCreateChain(ElasticTestCase): """ 2 simple tests on index creation and deletion """ def tearDown(self): self.elasticSearchDB.deleteIndex(self.index_name) def test_index(self): """ create index test """ result = self.elasticSearchDB.createIndex('integrationtest', {}) self.assertTrue(result['OK']) self.index_name = result['Value'] for i in self.data: result = self.elasticSearchDB.index(self.index_name, 'test', i) self.assertTrue(result['OK']) def test_wrongdataindex(self): """ create index test (wrong insertion) """ result = self.elasticSearchDB.createIndex('dsh63tsdgad', {}) self.assertTrue(result['OK']) index_name = result['Value'] result = self.elasticSearchDB.index(index_name, 'test', {"Color": "red", "quantity": 1, "Product": "a", "timestamp": 1458226213}) self.assertTrue(result['OK']) result = self.elasticSearchDB.index(index_name, 'test', {"Color": "red", "quantity": 1, "Product": "a", "timestamp": "2015-02-09T16:15:00Z"}) self.assertFalse(result['OK']) self.assertTrue(result['Message']) result = self.elasticSearchDB.deleteIndex(index_name) self.assertTrue(result['OK']) class ElasticDeleteChain(ElasticTestCase): """ deletion tests """ def test_deleteNonExistingIndex(self): """ delete non-existing index """ result = self.elasticSearchDB.deleteIndex('dsdssuu') self.assertFalse(result['OK']) self.assertTrue(result['Message']) class ElasticTestChain(ElasticTestCase): """ various tests chained """ def setUp(self): self.elasticSearchDB = ElasticSearchDB(host=elHost, port=elPort, useSSL=False) result = generateFullIndexName('integrationtest') self.assertTrue(len(result) > len('integrationtest')) self.index_name = result result = self.elasticSearchDB.index(self.index_name, 'test', {"Color": "red", "quantity": 1, "Product": "a", "timestamp": 1458226213}) self.assertTrue(result['OK']) def tearDown(self): self.elasticSearchDB.deleteIndex(self.index_name) def test_getIndexes(self): """ test fail if no indices are present """ self.elasticSearchDB.deleteIndex(self.index_name) result = self.elasticSearchDB.getIndexes() self.assertFalse(result) # it will be empty at this point def test_getDocTypes(self): """ test get document types """ result = self.elasticSearchDB.getDocTypes(self.index_name) self.assertTrue(result) self.assertEqual(result['Value']['test']['properties'].keys(), [u'Color', u'timestamp', u'Product', u'quantity']) def test_exists(self): result = self.elasticSearchDB.exists(self.index_name) self.assertTrue(result) def test_generateFullIndexName(self): indexName = 'test' today = datetime.datetime.today().strftime("%Y-%m-%d") expected = "%s-%s" % (indexName, today) result = generateFullIndexName(indexName) self.assertEqual(result, expected) def test_generateFullIndexName2(self): indexName = 'test' month = datetime.datetime.today().strftime("%Y-%m") expected = "%s-%s" % (indexName, month) result = generateFullIndexName(indexName, 'month') self.assertEqual(result, expected) def test_getUniqueValue(self): result = self.elasticSearchDB.getUniqueValue(self.index_name, 'quantity') self.assertTrue(result['OK']) self.assertTrue(result['OK']) # this, and the next (Product) are not run because (possibly only for ES 6+): # # 'Fielddata is disabled on text fields by default. # # Set fielddata=true on [Color] in order to load fielddata in memory by uninverting the inverted index. # # Note that this can however use significant memory. Alternatively use a keyword field instead.' # result = self.elasticSearchDB.getUniqueValue(self.index_name, 'Color', ) # self.assertTrue(result['OK']) # self.assertEqual(result['Value'], []) # result = self.elasticSearchDB.getUniqueValue(self.index_name, 'Product') # self.assertTrue(result['OK']) # self.assertEqual(result['Value'], []) def test_querySimple(self): """ simple query test """ self.elasticSearchDB.deleteIndex(self.index_name) # inserting 10 entries for i in self.moreData: result = self.elasticSearchDB.index(self.index_name, 'test', i) self.assertTrue(result['OK']) time.sleep(10) # giving ES some time for indexing # this query returns everything, so we are expecting 10 hits body = { 'query': { 'match_all': {} } } result = self.elasticSearchDB.query(self.index_name, body) self.assertTrue(result['OK']) self.assertTrue(isinstance(result['Value'], dict)) self.assertEqual(len(result['Value']['hits']['hits']), 10) # this query returns nothing body = { 'query': { 'match_none': {} } } result = self.elasticSearchDB.query(self.index_name, body) self.assertTrue(result['OK']) self.assertTrue(isinstance(result['Value'], dict)) self.assertEqual(result['Value']['hits']['hits'], []) # this is a wrong query body = { 'pippo': { 'bool': { 'must': [], 'filter': [] } } } result = self.elasticSearchDB.query(self.index_name, body) self.assertFalse(result['OK']) # this query should also return everything body = { 'query': { 'bool': { 'must': [], 'filter': [] } } } result = self.elasticSearchDB.query(self.index_name, body) self.assertTrue(result['OK']) self.assertTrue(isinstance(result['Value'], dict)) self.assertEqual(len(result['Value']['hits']['hits']), 10) # def test_query(self): # body = {"size": 0, # {"query": {"query_string": {"query": "*"}}, # "filter": {"bool": # {"must": [{"range": # {"timestamp": # {"gte": 1423399451544, # "lte": 1423631917911 # } # } # }], # "must_not": [] # } # } # } # }, # "aggs": { # "3": { # "date_histogram": { # "field": "timestamp", # "interval": "3600000ms", # "min_doc_count": 1, # "extended_bounds": { # "min": 1423399451544, # "max": 1423631917911 # } # }, # "aggs": { # "4": { # "terms": { # "field": "Product", # "size": 0, # "order": { # "1": "desc" # } # }, # "aggs": { # "1": { # "sum": { # "field": "quantity" # } # } # } # } # } # } # } # } # result = self.elasticSearchDB.query(self.index_name, body) # self.assertEqual(result['aggregations'], # {u'3': {u'buckets': [{u'4': {u'buckets': [{u'1': {u'value': 5.0}, # u'key': u'a', # u'doc_count': 5}], # u'sum_other_doc_count': 0, # u'doc_count_error_upper_bound': 0}, # u'key': 1423468800000, # u'doc_count': 5}, # {u'4': {u'buckets': [{u'1': {u'value': 8.0}, # u'key': u'b', # u'doc_count': 5}], # u'sum_other_doc_count': 0, # u'doc_count_error_upper_bound': 0}, # u'key': 1423494000000, # u'doc_count': 5}]}}) # FIXME: "filtered" is discontinued since ES 5.0 # def test_queryMontly(self): # body = {"size": 0, # "query": {"filtered": {"query": {"query_string": {"query": "*"}}, # "filter": {"bool": {"must": [{"range": { # "timestamp": { # "gte": 1423399451544, # "lte": 1423631917911 # } # } # }], # "must_not": [] # } # } # } # }, # "aggs": { # "3": { # "date_histogram": { # "field": "timestamp", # "interval": "3600000ms", # "min_doc_count": 1, # "extended_bounds": { # "min": 1423399451544, # "max": 1423631917911 # } # }, # "aggs": { # "4": { # "terms": { # "field": "Product", # "size": 0, # "order": { # "1": "desc" # } # }, # "aggs": { # "1": { # "sum": { # "field": "quantity" # } # } # } # } # } # } # } # } # result = self.elasticSearchDB.query('integrationtestmontly*', body) # self.assertEqual(result['aggregations'], # {u'3': {u'buckets': [{u'4': {u'buckets': [{u'1': {u'value': 5.0}, # u'key': u'a', # u'doc_count': 5}], # u'sum_other_doc_count': 0, # u'doc_count_error_upper_bound': 0}, # u'key': 1423468800000, # u'doc_count': 5}, # {u'4': {u'buckets': [{u'1': {u'value': 8.0}, # u'key': u'b', # u'doc_count': 5}], # u'sum_other_doc_count': 0, # u'doc_count_error_upper_bound': 0}, # u'key': 1423494000000, # u'doc_count': 5}]}}) def test_Search(self): self.elasticSearchDB.deleteIndex(self.index_name) # inserting 10 entries for i in self.moreData: result = self.elasticSearchDB.index(self.index_name, 'test', i) self.assertTrue(result['OK']) time.sleep(10) # giving ES some time for indexing s = self.elasticSearchDB._Search(self.index_name) result = s.execute() self.assertEqual(len(result.hits), 10) self.assertEqual(dir(result.hits[0]), [u'Color', u'Product', 'meta', u'quantity', u'timestamp']) q = self.elasticSearchDB._Q('range', timestamp={'lte': 1423501337292, 'gte': 1423497057518}) s = self.elasticSearchDB._Search(self.index_name) s = s.filter('bool', must=q) query = s.to_dict() self.assertEqual(query, {'query': {'bool': {'filter': [ {'bool': {'must': [{'range': {'timestamp': {'gte': 1423497057518, 'lte': 1423501337292}}}]}}]}}}) result = s.execute() self.assertEqual(len(result.hits), 0) q = self.elasticSearchDB._Q('range', timestamp={'lte': 1423631917911, 'gte': 1423399451544}) s = self.elasticSearchDB._Search(self.index_name) s = s.filter('bool', must=q) query = s.to_dict() self.assertEqual(query, {'query': {'bool': {'filter': [ {'bool': {'must': [{'range': {'timestamp': {'gte': 1423399451544, 'lte': 1423631917911}}}]}}]}}}) result = s.execute() self.assertEqual(len(result.hits), 0) # q = [ # self.elasticSearchDB._Q( # 'range', # timestamp={ # 'lte': 1423631917911, # 'gte': 1423399451544}), # self.elasticSearchDB._Q( # 'match', # Product='a')] # s = self.elasticSearchDB._Search(self.index_name) # s = s.filter('bool', must=q) # query = s.to_dict() # self.assertEqual(query, {'query': {'bool': {'filter': [{'bool': { # 'must': [{'range': {'timestamp': {'gte': 1423399451544, 'lte': 1423631917911}}}, # {'match': {'Product': 'a'}}]}}]}}}) # result = s.execute() # self.assertEqual(len(result.hits), 5) # self.assertEqual(result.hits[0].Product, 'a') # self.assertEqual(result.hits[4].Product, 'a') # def test_A1(self): # q = [self.elasticSearchDB._Q('range', timestamp={'lte': 1423631917911, 'gte': 1423399451544})] # s = self.elasticSearchDB._Search(self.index_name) # s = s.filter('bool', must=q) # a1 = self.elasticSearchDB._A('terms', field='Product', size=0) # s.aggs.bucket('2', a1) # query = s.to_dict() # self.assertEqual(query, {'query': {'bool': {'filter': [{'bool': {'must': [{'range': {'timestamp': { # 'gte': 1423399451544, 'lte': 1423631917911}}}]}}]}}, # 'aggs': {'2': {'terms': {'field': 'Product', 'size': 0}}}}) # result = s.execute() # self.assertEqual(result.aggregations['2'].buckets, [ # {u'key': u'a', u'doc_count': 5}, {u'key': u'b', u'doc_count': 5}]) # def test_A2(self): # q = [self.elasticSearchDB._Q('range', timestamp={'lte': 1423631917911, 'gte': 1423399451544})] # s = self.elasticSearchDB._Search(self.index_name) # s = s.filter('bool', must=q) # a1 = self.elasticSearchDB._A('terms', field='Product', size=0) # a1.metric('total_quantity', 'sum', field='quantity') # s.aggs.bucket('2', a1) # query = s.to_dict() # self.assertEqual( # query, { # 'query': { # 'bool': { # 'filter': [ # { # 'bool': { # 'must': [ # { # 'range': { # 'timestamp': { # 'gte': 1423399451544, 'lte': 1423631917911}}}]}}]}}, 'aggs': { # '2': { # 'terms': { # 'field': 'Product', 'size': 0}, 'aggs': { # 'total_quantity': { # 'sum': { # 'field': 'quantity'}}}}}}) # result = s.execute() # self.assertEqual(result.aggregations['2'].buckets, # [{u'total_quantity': {u'value': 5.0}, u'key': u'a', u'doc_count': 5}, { # u'total_quantity': {u'value': 8.0}, u'key': u'b', u'doc_count': 5}]) # def test_piplineaggregation(self): # q = [self.elasticSearchDB._Q('range', timestamp={'lte': 1423631917911, 'gte': 1423399451544})] # s = self.elasticSearchDB._Search(self.index_name) # s = s.filter('bool', must=q) # a1 = self.elasticSearchDB._A('terms', field='Product', size=0) # a2 = self.elasticSearchDB._A('terms', field='timestamp') # a2.metric('total_quantity', 'sum', field='quantity') # a1.bucket( # 'end_data', # 'date_histogram', # field='timestamp', # interval='3600000ms').metric( # 'tt', # a2).pipeline( # 'avg_buckets', # 'avg_bucket', # buckets_path='tt>total_quantity', # gap_policy='insert_zeros') # s.aggs.bucket('2', a1) # query = s.to_dict() # self.assertEqual( # query, { # 'query': { # 'bool': { # 'filter': [ # { # 'bool': { # 'must': [ # { # 'range': { # 'timestamp': { # 'gte': 1423399451544, 'lte': 1423631917911}}}]}}]}}, 'aggs': { # '2': { # 'terms': { # 'field': 'Product', 'size': 0}, 'aggs': { # 'end_data': { # 'date_histogram': { # 'field': 'timestamp', 'interval': '3600000ms'}, 'aggs': { # 'tt': { # 'terms': { # 'field': 'timestamp'}, 'aggs': { # 'total_quantity': { # 'sum': { # 'field': 'quantity'}}}}, 'avg_buckets': { # 'avg_bucket': { # 'buckets_path': 'tt>total_quantity', 'gap_policy': 'insert_zeros'}}}}}}}}) # result = s.execute() # self.assertEqual(len(result.aggregations['2'].buckets), 2) # self.assertEqual(result.aggregations['2'].buckets[0].key, u'a') # self.assertEqual(result.aggregations['2'].buckets[1].key, u'b') # self.assertEqual(result.aggregations['2'].buckets[0]['end_data'].buckets[0].avg_buckets, {u'value': 2.5}) # self.assertEqual(result.aggregations['2'].buckets[1]['end_data'].buckets[0].avg_buckets, {u'value': 4}) if __name__ == '__main__': testSuite = unittest.defaultTestLoader.loadTestsFromTestCase(ElasticTestCase) testSuite.addTest(unittest.defaultTestLoader.loadTestsFromTestCase(ElasticCreateChain)) testSuite.addTest(unittest.defaultTestLoader.loadTestsFromTestCase(ElasticBulkCreateChain)) testSuite.addTest(unittest.defaultTestLoader.loadTestsFromTestCase(ElasticTestChain)) testSuite.addTest(unittest.defaultTestLoader.loadTestsFromTestCase(ElasticDeleteChain)) testResult = unittest.TextTestRunner(verbosity=2).run(testSuite) sys.exit(not testResult.wasSuccessful())
andresailer/DIRAC
tests/Integration/Core/Test_ElasticsearchDB.py
Python
gpl-3.0
24,576
[ "DIRAC" ]
74718920b2f6f4920e02759a69b83e8bb237f331493685d2e6dd0fcd3f58a145
from numpy import (logical_and, asarray, pi, zeros_like, piecewise, array, arctan2, tan, zeros, arange, floor) from numpy.core.umath import (sqrt, exp, greater, less, cos, add, sin, less_equal, greater_equal) # From splinemodule.c from .spline import cspline2d, sepfir2d from scipy.special import comb, gamma __all__ = ['spline_filter', 'bspline', 'gauss_spline', 'cubic', 'quadratic', 'cspline1d', 'qspline1d', 'cspline1d_eval', 'qspline1d_eval'] def factorial(n): return gamma(n + 1) def spline_filter(Iin, lmbda=5.0): """Smoothing spline (cubic) filtering of a rank-2 array. Filter an input data set, `Iin`, using a (cubic) smoothing spline of fall-off `lmbda`. """ intype = Iin.dtype.char hcol = array([1.0, 4.0, 1.0], 'f') / 6.0 if intype in ['F', 'D']: Iin = Iin.astype('F') ckr = cspline2d(Iin.real, lmbda) cki = cspline2d(Iin.imag, lmbda) outr = sepfir2d(ckr, hcol, hcol) outi = sepfir2d(cki, hcol, hcol) out = (outr + 1j * outi).astype(intype) elif intype in ['f', 'd']: ckr = cspline2d(Iin, lmbda) out = sepfir2d(ckr, hcol, hcol) out = out.astype(intype) else: raise TypeError("Invalid data type for Iin") return out _splinefunc_cache = {} def _bspline_piecefunctions(order): """Returns the function defined over the left-side pieces for a bspline of a given order. The 0th piece is the first one less than 0. The last piece is a function identical to 0 (returned as the constant 0). (There are order//2 + 2 total pieces). Also returns the condition functions that when evaluated return boolean arrays for use with `numpy.piecewise`. """ try: return _splinefunc_cache[order] except KeyError: pass def condfuncgen(num, val1, val2): if num == 0: return lambda x: logical_and(less_equal(x, val1), greater_equal(x, val2)) elif num == 2: return lambda x: less_equal(x, val2) else: return lambda x: logical_and(less(x, val1), greater_equal(x, val2)) last = order // 2 + 2 if order % 2: startbound = -1.0 else: startbound = -0.5 condfuncs = [condfuncgen(0, 0, startbound)] bound = startbound for num in range(1, last - 1): condfuncs.append(condfuncgen(1, bound, bound - 1)) bound = bound - 1 condfuncs.append(condfuncgen(2, 0, -(order + 1) / 2.0)) # final value of bound is used in piecefuncgen below # the functions to evaluate are taken from the left-hand side # in the general expression derived from the central difference # operator (because they involve fewer terms). fval = factorial(order) def piecefuncgen(num): Mk = order // 2 - num if (Mk < 0): return 0 # final function is 0 coeffs = [(1 - 2 * (k % 2)) * float(comb(order + 1, k, exact=1)) / fval for k in range(Mk + 1)] shifts = [-bound - k for k in range(Mk + 1)] def thefunc(x): res = 0.0 for k in range(Mk + 1): res += coeffs[k] * (x + shifts[k]) ** order return res return thefunc funclist = [piecefuncgen(k) for k in range(last)] _splinefunc_cache[order] = (funclist, condfuncs) return funclist, condfuncs def bspline(x, n): """B-spline basis function of order n. Notes ----- Uses numpy.piecewise and automatic function-generator. """ ax = -abs(asarray(x)) # number of pieces on the left-side is (n+1)/2 funclist, condfuncs = _bspline_piecefunctions(n) condlist = [func(ax) for func in condfuncs] return piecewise(ax, condlist, funclist) def gauss_spline(x, n): """Gaussian approximation to B-spline basis function of order n. Parameters ---------- n : int The order of the spline. Must be nonnegative, i.e., n >= 0 References ---------- .. [1] Bouma H., Vilanova A., Bescos J.O., ter Haar Romeny B.M., Gerritsen F.A. (2007) Fast and Accurate Gaussian Derivatives Based on B-Splines. In: Sgallari F., Murli A., Paragios N. (eds) Scale Space and Variational Methods in Computer Vision. SSVM 2007. Lecture Notes in Computer Science, vol 4485. Springer, Berlin, Heidelberg """ signsq = (n + 1) / 12.0 return 1 / sqrt(2 * pi * signsq) * exp(-x ** 2 / 2 / signsq) def cubic(x): """A cubic B-spline. This is a special case of `bspline`, and equivalent to ``bspline(x, 3)``. """ ax = abs(asarray(x)) res = zeros_like(ax) cond1 = less(ax, 1) if cond1.any(): ax1 = ax[cond1] res[cond1] = 2.0 / 3 - 1.0 / 2 * ax1 ** 2 * (2 - ax1) cond2 = ~cond1 & less(ax, 2) if cond2.any(): ax2 = ax[cond2] res[cond2] = 1.0 / 6 * (2 - ax2) ** 3 return res def quadratic(x): """A quadratic B-spline. This is a special case of `bspline`, and equivalent to ``bspline(x, 2)``. """ ax = abs(asarray(x)) res = zeros_like(ax) cond1 = less(ax, 0.5) if cond1.any(): ax1 = ax[cond1] res[cond1] = 0.75 - ax1 ** 2 cond2 = ~cond1 & less(ax, 1.5) if cond2.any(): ax2 = ax[cond2] res[cond2] = (ax2 - 1.5) ** 2 / 2.0 return res def _coeff_smooth(lam): xi = 1 - 96 * lam + 24 * lam * sqrt(3 + 144 * lam) omeg = arctan2(sqrt(144 * lam - 1), sqrt(xi)) rho = (24 * lam - 1 - sqrt(xi)) / (24 * lam) rho = rho * sqrt((48 * lam + 24 * lam * sqrt(3 + 144 * lam)) / xi) return rho, omeg def _hc(k, cs, rho, omega): return (cs / sin(omega) * (rho ** k) * sin(omega * (k + 1)) * greater(k, -1)) def _hs(k, cs, rho, omega): c0 = (cs * cs * (1 + rho * rho) / (1 - rho * rho) / (1 - 2 * rho * rho * cos(2 * omega) + rho ** 4)) gamma = (1 - rho * rho) / (1 + rho * rho) / tan(omega) ak = abs(k) return c0 * rho ** ak * (cos(omega * ak) + gamma * sin(omega * ak)) def _cubic_smooth_coeff(signal, lamb): rho, omega = _coeff_smooth(lamb) cs = 1 - 2 * rho * cos(omega) + rho * rho K = len(signal) yp = zeros((K,), signal.dtype.char) k = arange(K) yp[0] = (_hc(0, cs, rho, omega) * signal[0] + add.reduce(_hc(k + 1, cs, rho, omega) * signal)) yp[1] = (_hc(0, cs, rho, omega) * signal[0] + _hc(1, cs, rho, omega) * signal[1] + add.reduce(_hc(k + 2, cs, rho, omega) * signal)) for n in range(2, K): yp[n] = (cs * signal[n] + 2 * rho * cos(omega) * yp[n - 1] - rho * rho * yp[n - 2]) y = zeros((K,), signal.dtype.char) y[K - 1] = add.reduce((_hs(k, cs, rho, omega) + _hs(k + 1, cs, rho, omega)) * signal[::-1]) y[K - 2] = add.reduce((_hs(k - 1, cs, rho, omega) + _hs(k + 2, cs, rho, omega)) * signal[::-1]) for n in range(K - 3, -1, -1): y[n] = (cs * yp[n] + 2 * rho * cos(omega) * y[n + 1] - rho * rho * y[n + 2]) return y def _cubic_coeff(signal): zi = -2 + sqrt(3) K = len(signal) yplus = zeros((K,), signal.dtype.char) powers = zi ** arange(K) yplus[0] = signal[0] + zi * add.reduce(powers * signal) for k in range(1, K): yplus[k] = signal[k] + zi * yplus[k - 1] output = zeros((K,), signal.dtype) output[K - 1] = zi / (zi - 1) * yplus[K - 1] for k in range(K - 2, -1, -1): output[k] = zi * (output[k + 1] - yplus[k]) return output * 6.0 def _quadratic_coeff(signal): zi = -3 + 2 * sqrt(2.0) K = len(signal) yplus = zeros((K,), signal.dtype.char) powers = zi ** arange(K) yplus[0] = signal[0] + zi * add.reduce(powers * signal) for k in range(1, K): yplus[k] = signal[k] + zi * yplus[k - 1] output = zeros((K,), signal.dtype.char) output[K - 1] = zi / (zi - 1) * yplus[K - 1] for k in range(K - 2, -1, -1): output[k] = zi * (output[k + 1] - yplus[k]) return output * 8.0 def cspline1d(signal, lamb=0.0): """ Compute cubic spline coefficients for rank-1 array. Find the cubic spline coefficients for a 1-D signal assuming mirror-symmetric boundary conditions. To obtain the signal back from the spline representation mirror-symmetric-convolve these coefficients with a length 3 FIR window [1.0, 4.0, 1.0]/ 6.0 . Parameters ---------- signal : ndarray A rank-1 array representing samples of a signal. lamb : float, optional Smoothing coefficient, default is 0.0. Returns ------- c : ndarray Cubic spline coefficients. """ if lamb != 0.0: return _cubic_smooth_coeff(signal, lamb) else: return _cubic_coeff(signal) def qspline1d(signal, lamb=0.0): """Compute quadratic spline coefficients for rank-1 array. Find the quadratic spline coefficients for a 1-D signal assuming mirror-symmetric boundary conditions. To obtain the signal back from the spline representation mirror-symmetric-convolve these coefficients with a length 3 FIR window [1.0, 6.0, 1.0]/ 8.0 . Parameters ---------- signal : ndarray A rank-1 array representing samples of a signal. lamb : float, optional Smoothing coefficient (must be zero for now). Returns ------- c : ndarray Cubic spline coefficients. """ if lamb != 0.0: raise ValueError("Smoothing quadratic splines not supported yet.") else: return _quadratic_coeff(signal) def cspline1d_eval(cj, newx, dx=1.0, x0=0): """Evaluate a spline at the new set of points. `dx` is the old sample-spacing while `x0` was the old origin. In other-words the old-sample points (knot-points) for which the `cj` represent spline coefficients were at equally-spaced points of: oldx = x0 + j*dx j=0...N-1, with N=len(cj) Edges are handled using mirror-symmetric boundary conditions. """ newx = (asarray(newx) - x0) / float(dx) res = zeros_like(newx, dtype=cj.dtype) if res.size == 0: return res N = len(cj) cond1 = newx < 0 cond2 = newx > (N - 1) cond3 = ~(cond1 | cond2) # handle general mirror-symmetry res[cond1] = cspline1d_eval(cj, -newx[cond1]) res[cond2] = cspline1d_eval(cj, 2 * (N - 1) - newx[cond2]) newx = newx[cond3] if newx.size == 0: return res result = zeros_like(newx, dtype=cj.dtype) jlower = floor(newx - 2).astype(int) + 1 for i in range(4): thisj = jlower + i indj = thisj.clip(0, N - 1) # handle edge cases result += cj[indj] * cubic(newx - thisj) res[cond3] = result return res def qspline1d_eval(cj, newx, dx=1.0, x0=0): """Evaluate a quadratic spline at the new set of points. `dx` is the old sample-spacing while `x0` was the old origin. In other-words the old-sample points (knot-points) for which the `cj` represent spline coefficients were at equally-spaced points of:: oldx = x0 + j*dx j=0...N-1, with N=len(cj) Edges are handled using mirror-symmetric boundary conditions. """ newx = (asarray(newx) - x0) / dx res = zeros_like(newx) if res.size == 0: return res N = len(cj) cond1 = newx < 0 cond2 = newx > (N - 1) cond3 = ~(cond1 | cond2) # handle general mirror-symmetry res[cond1] = qspline1d_eval(cj, -newx[cond1]) res[cond2] = qspline1d_eval(cj, 2 * (N - 1) - newx[cond2]) newx = newx[cond3] if newx.size == 0: return res result = zeros_like(newx) jlower = floor(newx - 1.5).astype(int) + 1 for i in range(3): thisj = jlower + i indj = thisj.clip(0, N - 1) # handle edge cases result += cj[indj] * quadratic(newx - thisj) res[cond3] = result return res
aeklant/scipy
scipy/signal/bsplines.py
Python
bsd-3-clause
12,007
[ "Gaussian" ]
de05aa2589356a8f8f74555a521d681838b49466b7290b512ca98a8df018ca51
# -*- coding: utf-8 -*- # vi:si:et:sw=4:sts=4:ts=4 ## ## Copyright (C) 2008 Async Open Source <http://www.async.com.br> ## All rights reserved ## ## This program is free software; you can redistribute it and/or modify ## it under the terms of the GNU Lesser General Public License as published by ## the Free Software Foundation; either version 2 of the License, or ## (at your option) any later version. ## ## This program is distributed in the hope that it will be useful, ## but WITHOUT ANY WARRANTY; without even the implied warranty of ## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the ## GNU Lesser General Public License for more details. ## ## You should have received a copy of the GNU Lesser General Public License ## along with this program; if not, write to the Free Software ## Foundation, Inc., or visit: http://www.gnu.org/. ## ## Author(s): Stoq Team <stoq-devel@async.com.br> ## """ Purchase quote wizard definition """ import datetime from decimal import Decimal import gtk from kiwi.currency import currency from kiwi.datatypes import ValidationError from kiwi.python import Settable from kiwi.ui.objectlist import Column from stoqlib.api import api from stoqlib.domain.payment.group import PaymentGroup from stoqlib.domain.person import Branch from stoqlib.domain.purchase import (PurchaseOrder, PurchaseItem, QuoteGroup, Quotation) from stoqlib.domain.sellable import Sellable from stoqlib.domain.views import QuotationView from stoqlib.gui.base.dialogs import run_dialog from stoqlib.gui.base.lists import SimpleListDialog from stoqlib.gui.base.wizards import (WizardEditorStep, BaseWizard, BaseWizardStep) from stoqlib.gui.dialogs.quotedialog import QuoteFillingDialog from stoqlib.gui.editors.purchaseeditor import PurchaseQuoteItemEditor from stoqlib.gui.search.searchcolumns import IdentifierColumn from stoqlib.gui.search.searchfilters import DateSearchFilter from stoqlib.gui.search.searchslave import SearchSlave from stoqlib.gui.utils.printing import print_report from stoqlib.gui.wizards.purchasewizard import (PurchaseItemStep, PurchaseWizard) from stoqlib.lib.dateutils import localtoday from stoqlib.lib.message import info, yesno from stoqlib.lib.parameters import sysparam from stoqlib.lib.translation import stoqlib_gettext from stoqlib.lib.formatters import format_quantity, get_formatted_cost from stoqlib.reporting.purchase import PurchaseQuoteReport _ = stoqlib_gettext # # Wizard Steps # class StartQuoteStep(WizardEditorStep): gladefile = 'StartQuoteStep' model_type = PurchaseOrder proxy_widgets = ['open_date', 'quote_deadline', 'branch_combo', 'notes'] def __init__(self, wizard, previous, store, model): WizardEditorStep.__init__(self, store, wizard, model, previous) def _setup_widgets(self): quote_group = str(self.wizard.quote_group.identifier) self.quote_group.set_text(quote_group) branches = Branch.get_active_branches(self.store) self.branch_combo.prefill(api.for_person_combo(branches)) sync_mode = api.sysparam.get_bool('SYNCHRONIZED_MODE') self.branch_combo.set_sensitive(not sync_mode) self.notes.set_accepts_tab(False) def post_init(self): self.register_validate_function(self.wizard.refresh_next) self.force_validation() def next_step(self): return QuoteItemStep(self.wizard, self, self.store, self.model) # # BaseEditorSlave # def setup_proxies(self): self._setup_widgets() self.add_proxy(self.model, StartQuoteStep.proxy_widgets) # # Kiwi Callbacks # def on_quote_deadline__validate(self, widget, date): if date < localtoday().date(): return ValidationError(_(u"The quote deadline date must be set to " "today or a future date")) class QuoteItemStep(PurchaseItemStep): item_editor = PurchaseQuoteItemEditor def get_sellable_view_query(self): query = Sellable.get_unblocked_sellables_query(self.store) return self.sellable_view, query def setup_slaves(self): PurchaseItemStep.setup_slaves(self) self.cost_label.hide() self.cost.hide() def get_order_item(self, sellable, cost, quantity, batch=None): assert batch is None item = self.model.add_item(sellable, quantity) # since we are quoting products, it should not have # predefined cost. It should be filled later, when the # supplier reply our quoting request. item.cost = currency(0) return item def get_columns(self): return [ Column('sellable.description', title=_('Description'), data_type=str, expand=True, searchable=True), Column('quantity', title=_('Quantity'), data_type=float, width=90, format_func=format_quantity), Column('sellable.unit_description', title=_('Unit'), data_type=str, width=70), ] def _setup_summary(self): # disables summary label for the quoting list self.summary = False # # WizardStep # def validate(self, value): PurchaseItemStep.validate(self, value) can_quote = not self.model.get_items().is_empty() self.wizard.refresh_next(value and can_quote) def post_init(self): PurchaseItemStep.post_init(self) if not self.has_next_step(): self.wizard.enable_finish() def has_next_step(self): # if we are editing a quote, this is the first and last step return not self.wizard.edit def next_step(self): return QuoteSupplierStep(self.wizard, self, self.store, self.model) class QuoteSupplierStep(WizardEditorStep): gladefile = 'QuoteSupplierStep' model_type = PurchaseOrder # Class attribute so we can test it easier product_columns = [ Column('description', title=_(u'Product'), data_type=str, expand=True)] def __init__(self, wizard, previous, store, model): WizardEditorStep.__init__(self, store, wizard, model, previous) self._setup_widgets() def _setup_widgets(self): self.quoting_list.set_columns(self._get_columns()) self._populate_quoting_list() if not len(self.quoting_list) > 0: info(_(u'No supplier have been found for any of the selected ' 'items.\nThis quote will be cancelled.')) self.wizard.finish() def _get_columns(self): return [Column('selected', title=" ", data_type=bool, editable=True), Column('supplier.person.name', title=_('Supplier'), data_type=str, sorted=True, expand=True), Column('products_per_supplier', title=_('Supplied/Total'), data_type=str)] def _update_widgets(self): selected = self.quoting_list.get_selected() self.print_button.set_sensitive(selected is not None) self.view_products_button.set_sensitive(selected is not None) def _populate_quoting_list(self): # populate the quoting list by finding the suppliers based on the # products list quotes = {} total_items = 0 # O(n*n) for item in self.model.get_items(): total_items += 1 sellable = item.sellable product = sellable.product for supplier_info in product.suppliers: supplier = supplier_info.supplier if supplier is None: continue if supplier not in quotes.keys(): quotes[supplier] = [sellable] else: quotes[supplier].append(sellable) for supplier, items in quotes.items(): total_supplier_items = len(items) per_supplier = _(u"%s/%s") % (total_supplier_items, total_items) self.quoting_list.append(Settable(supplier=supplier, items=items, products_per_supplier=per_supplier, selected=True)) def _print_quote(self): selected = self.quoting_list.get_selected() self.model.supplier = selected.supplier print_report(PurchaseQuoteReport, self.model) def _generate_quote(self, selected): # we use our model as a template to create new quotes quote = self.model.clone() # we need to overwrite some values: quote.group = PaymentGroup(store=self.store) include_all = self.include_all_products.get_active() for item in self.model.get_items(): if item.sellable in selected.items or include_all: quote_item = item.clone() quote_item.order = quote quote.supplier = selected.supplier self.wizard.quote_group.add_item(quote) self.wizard.quote = quote self.store.commit() def _show_products(self): selected = self.quoting_list.get_selected() title = _(u'Products supplied by %s') % selected.supplier.person.name run_dialog(SimpleListDialog, self.wizard, self.product_columns, selected.items, title=title) def _show_missing_products(self): missing_products = set([i.sellable for i in self.model.get_items()]) for quote in self.quoting_list: if quote.selected: missing_products = missing_products.difference(quote.items) if len(missing_products) == 0: break run_dialog(SimpleListDialog, self.wizard, self.product_columns, missing_products, title=_(u'Missing Products')) def _update_wizard(self): # we need at least one supplier to finish this wizard can_finish = any([i.selected for i in self.quoting_list]) self.wizard.refresh_next(can_finish) # # WizardStep hooks # def validate_step(self): # I am using validate_step as a callback for the finish button for item in self.quoting_list: if item.selected: self._generate_quote(item) return True def has_next_step(self): return False def post_init(self): self.register_validate_function(self.wizard.refresh_next) self.force_validation() # # Kiwi Callbacks # def on_print_button__clicked(self, widget): self._print_quote() def on_missing_products_button__clicked(self, widget): self._show_missing_products() def on_view_products_button__clicked(self, widget): self._show_products() def on_quoting_list__selection_changed(self, widget, item): self._update_widgets() def on_quoting_list__cell_edited(self, widget, item, cell): self._update_wizard() def on_quoting_list__row_activated(self, widget, item): self._show_products() class QuoteGroupSelectionStep(BaseWizardStep): gladefile = 'QuoteGroupSelectionStep' def __init__(self, wizard, store): self._next_step = None BaseWizardStep.__init__(self, store, wizard) self._setup_slaves() def _setup_slaves(self): self.search = SearchSlave(self._get_columns(), restore_name=self.__class__.__name__, search_spec=QuotationView, store=self.store) self.attach_slave('search_group_holder', self.search) self.search.set_text_field_columns(['supplier_name', 'identifier_str']) filter = self.search.get_primary_filter() filter.set_label(_(u'Supplier:')) self.search.focus_search_entry() self.search.results.connect('selection-changed', self._on_searchlist__selection_changed) self.search.results.connect('row-activated', self._on_searchlist__row_activated) date_filter = DateSearchFilter(_('Date:')) self.search.add_filter(date_filter, columns=['open_date', 'deadline']) self.edit_button.set_sensitive(False) self.remove_button.set_sensitive(False) def _get_columns(self): return [IdentifierColumn('identifier', title=_("Quote #"), sorted=True), IdentifierColumn('group_identifier', title=_('Group #')), Column('supplier_name', title=_('Supplier'), data_type=str, width=300), Column('open_date', title=_('Open date'), data_type=datetime.date), Column('deadline', title=_('Deadline'), data_type=datetime.date)] def _can_purchase(self, item): return item.cost > currency(0) and item.quantity > Decimal(0) def _can_order(self, quotation): if quotation is None: return False for item in quotation.purchase.get_items(): if not self._can_purchase(item): return False return True def _update_view(self): selected = self.search.results.get_selected() has_selected = selected is not None self.edit_button.set_sensitive(has_selected) self.remove_button.set_sensitive(has_selected) self.wizard.refresh_next(self._can_order(selected)) def _run_quote_editor(self): store = api.new_store() selected = store.fetch(self.search.results.get_selected().purchase) retval = run_dialog(QuoteFillingDialog, self.wizard, selected, store) store.confirm(retval) store.close() self._update_view() def _remove_quote(self): q = self.search.results.get_selected().quotation msg = _('Are you sure you want to remove "%s" ?') % q.get_description() if not yesno(msg, gtk.RESPONSE_NO, _("Remove quote"), _("Don't remove")): return store = api.new_store() group = store.fetch(q.group) quote = store.fetch(q) group.remove_item(quote) # there is no reason to keep the group if there's no more quotes if group.get_items().count() == 0: store.remove(group) store.confirm(True) store.close() self.search.refresh() # # WizardStep hooks # def next_step(self): self.search.save_columns() selected = self.search.results.get_selected() if selected is None: return return QuoteGroupItemsSelectionStep(self.wizard, self.store, selected.group, self) # # Callbacks # def _on_searchlist__selection_changed(self, widget, item): self._update_view() def _on_searchlist__row_activated(self, widget, item): self._run_quote_editor() def on_edit_button__clicked(self, widget): self._run_quote_editor() def on_remove_button__clicked(self, widget): self._remove_quote() class QuoteGroupItemsSelectionStep(BaseWizardStep): gladefile = 'QuoteGroupItemsSelectionStep' def __init__(self, wizard, store, group, previous=None): self._group = group self._next_step = None BaseWizardStep.__init__(self, store, wizard, previous) self._setup_widgets() def _setup_widgets(self): self.quoted_items.connect( 'selection-changed', self._on_quoted_items__selection_changed) self.quoted_items.set_columns(self._get_columns()) # populate the list for quote in self._group.get_items(): for purchase_item in quote.purchase.get_items(): if not self._can_purchase(purchase_item): continue sellable = purchase_item.sellable ordered_qty = \ PurchaseItem.get_ordered_quantity(self.store, sellable) self.quoted_items.append(Settable( selected=True, order=quote.purchase, item=purchase_item, description=sellable.get_description(), supplier=quote.purchase.supplier_name, quantity=purchase_item.quantity, ordered_quantity=ordered_qty, cost=purchase_item.cost)) def _get_columns(self): return [Column('selected', title=" ", data_type=bool, editable=True), Column('description', title=_('Description'), data_type=str, expand=True, sorted=True), Column('supplier', title=_('Supplier'), data_type=str, expand=True), Column('quantity', title=_(u'Quantity'), data_type=Decimal), Column('ordered_quantity', title=_(u'Ordered'), data_type=Decimal), Column('cost', title=_(u'Cost'), data_type=currency, format_func=get_formatted_cost)] def _update_widgets(self): if not self.quoted_items: has_selected = False else: has_selected = any([q.selected for q in self.quoted_items]) self.create_order_button.set_sensitive(has_selected) def _can_purchase(self, purchaseitem): return (purchaseitem.cost > currency(0) and purchaseitem.quantity > Decimal(0)) def _select_quotes(self, value): for item in self.quoted_items: item.selected = bool(value) self.quoted_items.refresh() self._update_widgets() def _cancel_group(self): msg = _("This will cancel the group and related quotes. " "Are you sure?") if not yesno(msg, gtk.RESPONSE_NO, _("Cancel group"), _("Don't Cancel")): return store = api.new_store() group = store.fetch(self._group) group.cancel() store.remove(group) store.confirm(True) store.close() self.wizard.finish() def _get_purchase_from_quote(self, quote, store): quote_purchase = quote.purchase real_order = quote_purchase.clone() has_selected_items = False # add selected items for quoted_item in self.quoted_items: order = store.fetch(quoted_item.order) if order is quote_purchase and quoted_item.selected: purchase_item = store.fetch(quoted_item.item).clone() purchase_item.order = real_order has_selected_items = True # override some cloned data real_order.group = PaymentGroup(store=store) real_order.open_date = localtoday().date() real_order.quote_deadline = None real_order.status = PurchaseOrder.ORDER_PENDING if has_selected_items: return real_order else: store.remove(real_order) def _close_quotes(self, quotes): if not quotes: return if not yesno(_('Should we close the quotes used to compose the ' 'purchase order ?'), gtk.RESPONSE_NO, _("Close quotes"), _("Don't close")): return store = api.new_store() for q in quotes: quotation = store.fetch(q) quotation.close() store.remove(quotation) group = store.fetch(self._group) if group.get_items().is_empty(): store.remove(group) store.confirm(True) store.close() self.wizard.finish() def _create_orders(self): store = api.new_store() group = store.fetch(self._group) quotes = [] for quote in group.get_items(): purchase = self._get_purchase_from_quote(quote, store) if not purchase: continue retval = run_dialog(PurchaseWizard, self.wizard, store, purchase) store.confirm(retval) # keep track of the quotes that might be closed if retval: quotes.append(quote) store.close() self._close_quotes(quotes) # # WizardStep # def post_init(self): self.wizard.enable_finish() self.wizard.next_button.set_label(gtk.STOCK_CLOSE) def has_next_step(self): return False # # Callbacks # def _on_quoted_items__selection_changed(self, widget, item): self._update_widgets() def on_select_all_button__clicked(self, widget): self._select_quotes(True) def on_unselect_all_button__clicked(self, widget): self._select_quotes(False) def on_cancel_group_button__clicked(self, widget): self._cancel_group() def on_create_order_button__clicked(self, widget): self._create_orders() # # Main wizards # class QuotePurchaseWizard(BaseWizard): size = (775, 400) def __init__(self, store, model=None): title = self._get_title(model) self.edit = model is not None self.quote = None self.quote_group = self._get_or_create_quote_group(model, store) model = model or self._create_model(store) if model.status != PurchaseOrder.ORDER_QUOTING: raise ValueError('Invalid order status. It should ' 'be ORDER_QUOTING') first_step = StartQuoteStep(self, None, store, model) BaseWizard.__init__(self, store, first_step, model, title=title) def _get_title(self, model=None): if not model: return _('New Quote') return _('Edit Quote') def _create_model(self, store): supplier_id = sysparam.get_object_id('SUGGESTED_SUPPLIER') branch = api.get_current_branch(store) status = PurchaseOrder.ORDER_QUOTING group = PaymentGroup(store=store) return PurchaseOrder(supplier_id=supplier_id, branch=branch, status=status, expected_receival_date=None, responsible=api.get_current_user(store), group=group, store=store) def _get_or_create_quote_group(self, order, store): if order is not None: quotation = store.find(Quotation, purchase=order).one() return quotation.group else: return QuoteGroup(branch=api.get_current_branch(store), store=store) def _delete_model(self): if self.edit: return for item in self.model.get_items(): self.store.remove(item) self.store.remove(self.model) # # WizardStep hooks # def finish(self): self._delete_model() self.retval = self.quote self.close() class ReceiveQuoteWizard(BaseWizard): title = _("Receive Quote Wizard") size = (750, 450) def __init__(self, store): self.model = None first_step = QuoteGroupSelectionStep(self, store) BaseWizard.__init__(self, store, first_step, self.model) self.next_button.set_sensitive(False) # # WizardStep hooks # def finish(self): self.retval = self.model self.close()
tiagocardosos/stoq
stoqlib/gui/wizards/purchasequotewizard.py
Python
gpl-2.0
23,378
[ "VisIt" ]
20032670f0fe45bd7d55c8197431bce9f9bdf4a78f6464a622fdf3b91b3481b1
from scipy import sparse from klampt import vectorops import math import numpy as np from leastsq_bounds import leastsq_bounds from controller import BaseController from system_id import LinearSystemID from online_leastsq import OnlineLeastSquares def spdot(A, B): "The same as np.dot(A, B), except it works even if A or B or both might be sparse." if sparse.issparse(A) and sparse.issparse(B): return A * B elif sparse.issparse(A) and not sparse.issparse(B): return (A * B).view(type=B.__class__) elif not sparse.issparse(A) and sparse.issparse(B): return (B.T * A.T).T.view(type=A.__class__) else: return np.dot(A, B) class MotionModel(object): """Members inputs and outputs are labels for the input type u and the output type v""" def __init__(self,inputs="torque",outputs="accel"): self.inputs = inputs self.outputs = outputs def eval(self,q,dq,u): """Returns the output v = f(q,dq,u). For forward models, u=torque and v=ddq, and for inverse models u=ddq and v=torque. Inputs and outputs are assumed to be Numpy 1-D arrays.""" raise NotImplementedError() def linearization(self,q,dq): """Returns a model (A,b) such that the output is approximated by v = A*u+b. A can either be a Numpy 2D array or a Scipy sparse matrix.""" raise NotImplementedError() def getInverse(self): """Returns the inverted motion model for which evaluation produces the inputs u that would produce output v: u = f^-1(q,dq,v). """ return DefaultInverseMotionModel(self) class DefaultInverseMotionModel(MotionModel): """Basic inverse motion model that uses a linear equation solve to evaluate the result.""" def __init__(self,forward): self.forward = forward MotionModel.__init__(self,forward.outputs,forward.inputs) def eval(self,q,dq,u): (A,b) = self.forward.linearization(q,dq) if sparse.issparse(A): try: return sparse.linalg.spsolve(A,u-b) except sparse.linalg.LinAlgError: return sparse.linalg.lsqr(A,u-b) else: try: return np.linalg.solve(A,u-b) except np.linalg.LinAlgError: return np.linalg.lstsq(A,u-b)[0] def linearization(self,q,dq): (A,b) = self.forward.linearization(q,dq) if sparse.issparse(A): Ainv = sparse.linalg.inv(A) else: try: Ainv = np.linalg.inv(A) except np.linalg.LinAlgError: Ainv = np.linalg.pinv(A) return (Ainv,-spdot(Ainv,b)) class NaiveMotionModel(MotionModel): """An identity motion model that sets v = u""" def __init__(self,inputs='torque',outputs='accel'): MotionModel.__init__(self,inputs,outputs) def eval(self,q,dq,u): return u def linearization(self,q,dq): return (sparse.eye(len(dq),len(dq)),np.zeros((len(dq),))) def getInverse(): return NaiveMotionModel(self.outname,self.inname) class CompositeMotionModel(MotionModel): """Returns f(q,dq,g(q,dq,u))""" def __init__(self,f,g): self.f = f self.g = g MotionModel.__init__(self,self.g.inputs,self.f.outputs) def eval(self,q,dq,u): return self.f(q,dq,self.g(q,dq,u)) def linearization(self,q,dq): Af,bf = self.f.linearization(q,dq) Ag,bg = self.g.linearization(q,dq) return (spdot(Af,Ag),bf+spdot(Af,bg)) class IntegratorMotionModel(MotionModel): """A motion model that integrates the output of another motion model by dt""" def __init__(self,derivativeModel,dt): self.derivativeModel = derivativeModel self.dt = dt outname = "integrated_"+derivativeModel.outputs if derivativeModel.outputs=='accel': outname = 'velocity' elif derivativeModel.outputs=='velocity': outname = 'position' MotionModel.__init__(self,derivativeModel.inputs,outname) def eval(self,q,dq,u): if self.derivativeModel.outputs=='accel': return dq + self.derivativeModel.eval(q,dq,u)*dt elif self.derivativeModel.outputs=='velocity': return q + self.derivativeModel.eval(q,dq,u)*dt else: raise NotImplementedError() def linearization(self,q,dq,dt): (A,b) = self.derivativeModel.linearization(q,dq) if self.derivativeModel.outputs=='accel': return (A*dt,dq+b*dt) elif self.derivativeModel.outputs=='velocity': return (A*dt,q+b*dt) else: raise NotImplementedError() class FreeBaseRobotMotionModel(MotionModel): """A relatively naive motion model with a free base and some links in contact. The constraint equations are solved for in a least-squares sense. Assumes the first 6 dofs are the virtual links of the free base. Set the linksInContact member to a list of indices of the links in contact. If the constraintWeights member is set, it is assumed to be a list of 6*len(linksInContact) weights where each block of 6 consecutive numbers weights the translation and rotation components of the fixed-link constraint, respectively. (TODO: weights not done yet) """ def __init__(self,inname,outname,robot,linksInContact=[]): self.robot = robot self.linksInContact = linksInContact self.constraintWeights = None MotionModel.__init__(self,inname,outname) def eval(self,q,dq,u): if len(self.linksInContact)==0: return np.hstack((np.zeros(6),u[6:])) else: A,b = self.linearization(q,dq) return spdot(A,u)+b def linearization(self,q,dq): self.robot.setConfig(q) #free-dof constrained motion model: b = np.zeros(len(dq)) Aa = sparse.eye(len(dq)-6,len(dq)-6) Af = sparse.csr_matrix((len(dq),6)) if len(self.linksInContact)==0: Aaf = sparse.csr_matrix((6,len(dq)-6)) else: #solve for first 6 rows of A by keeping foot constraints fixed Jfs = [] Jas = [] for link in self.linksInContact: Jl = np.array(self.robot.getLink(link).getJacobian((0,0,0))) Jfs.append(Jl[:,0:6]) Jas.append(Jl[:,6:]) Jf = np.vstack(Jfs) Ja = np.vstack(Jas) #solve Jf * dqf + Ja * dqa = 0 in the least squares sense Jfinv = np.linalg.pinv(Jf) Aaf = -np.dot(Jfinv,Ja) #return matrix #[ |Aaf] #[Af |___] #[ |Aa ] #[ | ] return sparse.hstack([Af,sparse.vstack([Aaf,Aa])]),b class RobotDynamicsMotionModel(MotionModel): """The basic Langrangian motion model, suitable for fully actuated robots. B(q)*ddq + C(q,dq) + G(q) = u + fext. By default performs gravity calculation (fext = -G(q)) but can also take other forces and loads.""" def __init__(self,robotModel,gravity=(0,0,-9.8)): self.robotModel = robotModel self.gravity = gravity MotionModel.__init__(self) def externalForces(self,q,dq): """Subclasses can override this to generate other external forces besides gravity. Assumes the robot model is updated""" return -np.array(self.robotModel.getGravityForces(self.gravity)) def eval(self,q,dq,u): self.robotModel.setConfig(q.tolist()) self.robotModel.setVelocity(dq.tolist()) f = self.externalForces() return self.robotModel.accelFromTorques((u+f).tolist()) def linearization(self,q,dq): self.robotModel.setConfig(q.tolist()) self.robotModel.setVelocity(dq.tolist()) f = self.externalForces() C = np.array(self.robotModel.getCoriolisForces()) minv = np.array(self.robotModel.getMassMatrixInv()) return (minv,np.dot(minv,C-f)) def getInverse(self): return RobotInverseDynamicsMotionModel(self) class RobotInverseDynamicsMotionModel(MotionModel): def __init__(self,forward): self.forward = forward MotionModel.__init__(self,forward.outputs,forward.inputs) def eval(self,q,dq,ddq): robotModel = self.forward.robotModel robotModel.setConfig(q.tolist()) robotModel.setVelocity(dq.tolist()) f = self.forward.externalForces() return np.array(robotModel.torquesFromAccel(ddq.tolist()))-f def linearization(self,q,dq): robotModel = self.forward.robotModel robotModel.setConfig(q.tolist()) robotModel.setVelocity(dq.tolist()) f = self.forward.externalForces() C = np.array(robotModel.getCoriolisForces()) m = np.array(robotModel.getMassMatrix()) return (m,C-f) class AdaptiveMotionModel(MotionModel): """A motion model that performs adaptive estimation. By default it estimates each joint independently using a linear second order system: A[i]*(q[i],dq[i])+b[i]*(dqcmd[i])+c[i], i=1,...,n. """ def __init__(self,inname,outname): MotionModel.__init__(self,inname,outname) #TODO: other outputs besides velocity assert (outname == 'velocity') assert (inname == 'velocity') self.sysids = None def init(self,n,dt=0): self.sysids = [LinearSystemID(2,1) for i in xrange(n)] for i,s in enumerate(self.sysids): dt = 0 #default motion model: basic integrator of velocity cmds s.setModelPrior(np.array([[1,dt],[0,0]]),np.array([[0],[1]]),np.zeros(2),10) def eval(self,q,dq,u): if self.sysids == None: self.init(len(q)) outindex = 1 v = np.array([s.getOutput([qi,dqi],[ui])[outindex] for (s,qi,dqi,ui) in zip(self.sysids,q,dq,u)]) return v def linearization(self,q,dq): if self.sysids == None: self.init(len(q)) outindex = 1 A = sparse.lil_matrix((len(q),len(q))) b = np.zeros(len(q)) for i,s in enumerate(self.sysids): As,Bs,Cs = s.getModel() A[i,i] = Bs[outindex,0] b[i] = np.dot(As[outindex,:],[q[i],dq[i]])+Cs[outindex] return (A,b) def add(self,q,dq,u,qnext,dqnext): n= len(q) if self.sysids == None: self.init(n) for i in xrange(n): #TODO: add discount as a parameter? self.sysids[i].discount(0.1,'hyperbolic') self.sysids[i].add([q[i],dq[i]],[u[i]],[qnext[i],dqnext[i]]) return class GravityCompensationAdaptiveMotionModel(MotionModel): """A motion model that performs adaptive estimation with a gravity compensation term. It estimates each joint independently using a linear system dq[i] = c1[i]*dqcmd[i]+cg[i]*G[i] + c0[i], i=1,...,n. where dqcmd is the velocity command and G is the gravity torques """ def __init__(self,robot,inname,outname): MotionModel.__init__(self,inname,outname) #TODO: other outputs besides velocity assert (outname == 'velocity') assert (inname == 'velocity') self.robot = robot self.gravity = (0,0,-9.8) self.estimators = None def init(self,n,dt=0): self.estimators = [OnlineLeastSquares(4) for i in xrange(n)] for i,e in enumerate(self.estimators): #default motion model: dq = 0.8*dq + 0.2*dqcmd e.setPrior([0.8,0.3,0,0],1) def eval(self,q,dq,u): if self.estimators == None: self.init(len(q)) self.robot.setConfig(q) G = self.robot.getGravityForces(self.gravity) v = np.array([np.dot(e.x,[dqi,ui,Gi,1.0]) for (e,dqi,ui,Gi) in zip(self.esimators,dq,u,G)]) return v def linearization(self,q,dq): if self.estimators == None: self.init(len(q)) A = sparse.lil_matrix((len(q),len(q))) b = np.zeros(len(q)) self.robot.setConfig(q) G = self.robot.getGravityForces(self.gravity) for i,e in enumerate(self.estimators): cdq,cu,cG,c0 = e.x sdq,su,sG,s0 = e.solutionStandardErrors() A[i,i] = cu b[i] = cdq*dq[i]+cG*G[i]+c0 sA = su sb = math.sqrt((sdq*dq[i])**2+(sG*G[i])**2 + s0**2) if i==30: print "Linearization",A[i,i],b[i] print "Standard errors",sA,sb return (A,b) def add(self,q,dq,u,qnext,dqnext): n= len(q) if self.estimators == None: self.init(n) self.robot.setConfig(q) G = self.robot.getGravityForces(self.gravity) for i,e in enumerate(self.estimators): #TODO: add discount as a parameter? x = [dq[i],u[i],G[i],1.0] if i==30: print "Reading",x,dqnext[i] print "Old coeffs",i,e.x print "Old residual",np.dot(e.x,x)-dqnext[i] e.discount(0.1,'hyperbolic') e.add(x,dqnext[i]) if i==30: print "Coeffs",i,e.x print "Residual",np.dot(e.x,x)-dqnext[i] #print e.AtA #print e.AtAinv #print e.Atb return class FreeBaseAdaptiveMotionModel(AdaptiveMotionModel): """A motion model that performs adaptive estimation for a free-base robot. It estimates all joints independently, and estimates the effect of all joint velocities on the base velocity. """ def __init__(self,inname,outname,relevantDofs=None,robot=None): AdaptiveMotionModel.__init__(self,inname,outname) self.baseSysID = None self.relevantDofs = relevantDofs self.robot = None def init(self,n,dt=0): AdaptiveMotionModel.init(self,n,dt) #baseSysID takes base rotations, joint velocities, joint commands, and constant offset numJoints = len(self.relevantDofs) if self.relevantDofs != None else n-6 self.baseSysID = [OnlineLeastSquares(3+numJoints+numJoints+1) for i in xrange(6)] def getQDofs(self,q): return q[3:6] def getDqDofs(self,dq): if self.relevantDofs == None: return dq[6:] else: return [dq[i] for i in self.relevantDofs] def getUDofs(self,u): if self.relevantDofs == None: return u[6:] else: return [u[i] for i in self.relevantDofs] def eval(self,q,dq,u): v = AdaptiveMotionModel.eval(self,q,dq,u) n = len(q) xbase = np.hstack((self.getQDofs(q),self.getDqDofs(dq),self.getUDofs(u),[1.0])) for i in xrange(6): v[i] = self.baseSysID[i].x.dot(xbase) return v def linearization(self,q,dq): A,b = AdaptiveMotionModel.linearization(self,q,dq) #now fill in top right corner of A, first 6 rows of b n = len(q) numJoints = len(self.relevantDofs) if self.relevantDofs != None else n-6 for i in xrange(6): A[i,i]=0 coeffs = self.baseSysID[i].x #unpack qCoeffs = coeffs[:3] dqCoeffs = coeffs[3:3+numJoints] uCoeffs = coeffs[3+numJoints:3+numJoints+numJoints] constCoeff = coeffs[3+numJoints+numJoints] if self.relevantDofs == None: A[i,6:n] = uCoeffs else: for cd,d in zip(uCoeffs,self.relevantDofs): A[i,d] = cd b[i] = np.dot(dqCoeffs,self.getDqDofs(dq))+np.dot(qCoeffs,self.getQDofs(q))+constCoeff #print uCoeffs,b[i] return A,b def add(self,q,dq,u,qnext,dqnext): AdaptiveMotionModel.add(self,q,dq,u,qnext,dqnext) n = len(q) xbase = np.hstack((self.getQDofs(q),self.getDqDofs(dq),self.getUDofs(u),[1.0])) for i in xrange(6): if self.baseSysID[i].count > 10: self.baseSysID[i].discount(0.1,'hyperbolic') self.baseSysID[i].add(xbase,dq[i]) return def clamp(x,a,b): return a if x < a else (b if x > b else x) class BoundedMotionModel(MotionModel): """A Langrangian motion model for underactuated robots. Forward dynamics takes into account torque limits by capping inputs to their limits.""" def __init__(self,model,umin,umax): self.model = model self.umin,self.umax = umin,umax self.boundsweight = 100 MotionModel.__init__(self,model.inputs,model.outputs) def clampToLimits(self,x): """Returns a copy of x but clamped by the torque limits.""" res = type(x)([clamp(xi,tmini,tmaxi) for tmini,tmaxi,xi in zip(self.umin,self.umax,x)]) return res def inLimits(self,x): return all([tmini <= xi <= tmaxi for tmini,tmaxi,xi in zip(self.umin,self.umax,x)]) def eval(self,q,dq,u): return self.model.accel(q,dq,self.clampToLimits(u)) """ def inverseDynamics(self,q,dq,ddq): # min_u ||ddq - accel(u)||^2 s.t. umin <= u <= umax u0 = self.model.inverseDynamics(q,dq,ddq) if self.inLimits(u0): return u0 # least squares problem (A,b) = self.model.accelLinearization(q,dq) return leastsq_bounds(lambda(u):spdot(A,u)+b-ddq, u0, zip(self.umin,self.umax), Dfun=lambda(u):A,boundsweight=self.boundsweight) """ class ConstrainedMotionModel: """A Langrangian motion model for constrained / underactuated robots. Freedofs are constrained to have zero torque. Inverse dynamics are given by solving an equality-constrained least squares problem. """ def __init__(self,model,freeDofs): self.model = model self.freeDofs = freeDofs self.actuatedDofs = [i for i in range(model.robotModel.numLinks()) if i not in freeDofs] def constraintEquation(self,q,dq): """Returns (C,d) for constraint C*ddq = d""" raise NotImplementedError() def inverseDynamics(self,q,dq,ddq): # least squares problem min ||A*u+b-ddq||^2 s.t. u[freedofs] = 0, C*(A*u+b)=d (A,b) = self.model.accelLinearization(q,dq) (C,d) = self.constraintEquation(q,dq) Aactuated = np.vstack([A[:,i] for i in self.actuatedDofs]) # now least squares problem on actuated dofs is # min||Aa*ua+b-ddq||^2 s.t. C*(Aa*ua+b)=d Cinv = np.linalg.pinv(C) np.dot(Cinv,d) #fixed-feet motion model #If forces f are applied such that C(q)=0, we need J(q)dq'' = 0 #J q'' = J B^-1*(t+J^T*f-C-G) = 0 #J B^-1*J^T*f = - J B^-1*(t-C-G) #f = -(J B^-1*J^T)^-1 J B^-1*(t-C-G) #q'' = B^-1*(t-C-G-J^T*(J B^-1*J^T)^-1 J B^-1*(t-C-G)) # = (B^-1 - B^-1 J^T*(J B^-1*J^T)^-1 J B^-1)*(t-C-G) class DebugMotionModelController(BaseController): def __init__(self,model,robot=None,dofs=None): self.model = model self.robot = robot self.activeDofs = None assert (model.inputs=="velocity" and model.outputs=="velocity"),"Can only debug velocity models at the moment" self.dqpredlast = None def output_and_advance(self,**inputs): try: q = inputs['q'] dq = inputs['dq'] u = vectorops.div(vectorops.sub(inputs['qcmd'],q),inputs['dt']) except KeyError: print "Warning, cannot debug motion model, dq or dqcmd not in input" return None if self.dqpredlast != None: if self.activeDofs != None: dq = dq[:] for i in [i for i in range(len(q)) if i not in self.activeDofs]: dq[i] = self.dqpredlast[i] #compare motion model to dq print "Motion model error:",np.linalg.norm(self.dqpredlast - np.array(dq)) (v,i) = max(zip(np.abs(self.dqpredlast - np.array(dq)).tolist(),range(len(dq)))) print " Max error:",v,"at",i, if self.robot!=None: print self.robot.getLink(i).getName() else: print print " Command:",self.ulast[i],"Predicted:",self.dqpredlast[i],"Actual:",dq[i] print " pred:",self.Alast[i,i],"*u +",self.blast[i] #print " Predicted:",self.dqpredlast #print " Actual:",dq A,b = self.model.linearization(q,dq) self.dqpredlast = A.dot(u)+b self.ulast = u self.Alast,self.blast = A,b return None
stevekuznetsov/Klampt
Python/control/MotionModel.py
Python
bsd-3-clause
20,440
[ "BLAST" ]
a03cf577e908838b1917f5f2813b651ad3b8d800fa6d441b281787dabfab044f
# -*- coding: utf-8 -*- """ Created on Thu Jan 24 13:30:42 2013 $Id: transects.py 11076 2014-08-28 17:52:41Z heijer $ $Date: 2014-08-28 19:52:41 +0200 (Thu, 28 Aug 2014) $ $Author: heijer $ $Revision: 11076 $ $HeadURL: https://svn.oss.deltares.nl/repos/openearthtools/trunk/python/applications/jarkus_transects/jarkus/transects.py $ @author: heijer """ import logging logger = logging.getLogger(__name__) from netCDF4 import Dataset,num2date import numpy as np from numpy import asarray from scipy.interpolate import interp1d from threading import Lock # shapely is not thread safe, so implement a lock shapelock = Lock() class Transects: """ Wrapper for JARKUS transects """ def __init__(self, *args, **kwargs): """ instantiate the environment """ if 'url' in kwargs: self.url = kwargs.pop('url') else: self.url = 'http://opendap.tudelft.nl/thredds/dodsC/data2/deltares/rijkswaterstaat/jarkus/profiles/transect.nc' try: self.ds = Dataset(self.url) except OSError as e: err = ('%e. "%s" not found.' %(e,self.url)) logger.error(err) raise err self.dims = self.ds.dimensions # initiate filter self.filter = dict.fromkeys(self.dims.keys()) self.reset_filter() self.set_filter(**kwargs) def reset_filter(self, *args): """ remove filter for all dimensions (default) or for the specified dimensions only """ if args == (): args = self.dims.keys() for k in args: self.filter[k] = np.ones((self.dims[k].__len__(),)) == 1 def set_filter(self, **kwargs): """ set filter by one or more keyword arguments filters can be specified as boolean (shape must match the dimension's shape), as indices or as variable specification. """ for k,v in kwargs.items(): isdim = k in self.ds.dimensions.keys() isvar = k in self.ds.variables.keys() if (isinstance(v, bool) or isinstance(v, np.ndarray) and v.dtype == bool) and len(v) == len(self.dims[k]): self.filter[k] = np.logical_and(self.filter[k], v) elif isinstance(v, (int, np.integer)) and k in self.dims and np.all(np.abs(np.asarray(v)) < self.dims[k].__len__()): self.filter[k] = np.ones((self.dims[k].__len__(),)) == 0 self.filter[k][v] = True elif k == 'year': self.filter['time'] = self.year2idx(v) elif isvar and not isdim: dimname = self.ds.variables[k].dimensions[0] self.filter[dimname] = np.logical_and(self.filter[dimname], np.in1d(self.ds.variables[k][:], np.asarray(v))) def get_filter(self, key): """ returns filter for specified key """ return self.filter[key] def __exit__(self): """ close NetCDF file """ self.close() def close(self): """ close NetCDF file """ self.ds.close() def get_data(self, varname): """ returns data for specified variable and applies available filters """ return self.ds.variables[varname][[self.filter[k] for k in self.ds.variables[varname].dimensions]] def areaname2areacode(self, areaname): """ returns areaname for a specified areacode as input. \nToDo: include in another class of the same package "jarkus_transects", eventually. """ # areas according to RWS definition areas = {"Schiermonnikoog":2,"Ameland":3,"Terschelling":4,"Vlieland":5, "Texel":6,"Noord-Holland":7,"Rijnland":8,"Delfland":9, "Maasvlakte":10,"Voorne":11,"Goeree":12,"Schouwen":13, "Noord-Beveland":15,"Walcheren":16,"Zeeuws-Vlaanderen":17} if type(areaname) == np.str: return areas.get(areaname) if type(areaname) == list: return list(map(areas.get, areaname)) def time2year(self, t): """ convert time to year """ time = self.ds.variables['time'] if type(t) == np.int: return num2date(t, time.units).year else: return np.asarray([y.year for y in np.asarray(num2date(t, time.units))]) def year2idx(self, year): """ returns boolean index array to be applied to the time dimension """ #time = self.ds.variables['time'] #years = [y.year for y in num2date(time, time.units)] years = self.time2year(self.ds.variables['time'][:]) if not year: year = years idx = np.in1d(years, np.asarray(year)) return idx def cross_shore2xyRD(self, cs, transect_id, axis=None): """ returns RD coordinates (epsg 28992) for cross-shore coordinate(s) (wrt to RSP) """ cs = np.asarray(cs) transect_id = np.asarray(transect_id) aidx = np.in1d(self.ds.variables['id'], transect_id) cs_f = np.array((self.ds.variables['cross_shore'][0], self.ds.variables['cross_shore'][-1])) x_f = np.array((self.ds.variables['x'][aidx,0], self.ds.variables['x'][aidx,-1])) y_f = np.array((self.ds.variables['y'][aidx,0], self.ds.variables['y'][aidx,-1])) px = np.polyfit(cs_f, x_f, 1) py = np.polyfit(cs_f, y_f, 1) x = np.polyval(px, cs) y = np.polyval(py, cs) return x,y def initcc(self): """ initialize coordinate conversion """ if not hasattr(self, 'rd2latlon'): from osgeo.osr import SpatialReference, CoordinateTransformation # Define the Rijksdriehoek projection system (EPSG 28992) epsg28992 = SpatialReference() epsg28992.ImportFromEPSG(28992) # correct the towgs84 epsg28992.SetTOWGS84(565.237,50.0087,465.658,-0.406857,0.350733,-1.87035,4.0812) # Define the wgs84 system (EPSG 4326) epsg4326 = SpatialReference() epsg4326.ImportFromEPSG(4326) self.rd2latlon = CoordinateTransformation(epsg28992, epsg4326) #latlon2rd = CoordinateTransformation(epsg4326, epsg28992) # Check the transformation (in case of a missing towgs84) #latlonz = rd2latlon.TransformPoint(155000.0, 446000.0) #print latlonz # (5.387202946158022, 52.00237563479786, 43.6057764403522) def cross_shore2lonlat(self, cs, transect_id, axis=None): """ returns WGS84 (lat,lon) coordinates (epsg 4326) for cross-shore coordinate(s) (wrt to RSP) """ x,y = self.cross_shore2xyRD(cs, transect_id, axis=axis) self.initcc() xy = zip(x,y) lat,lon,_ = zip(*self.rd2latlon.TransformPoints(xy)) return lon,lat def MKL(self, x=None, z=None, lower=-1, upper=3): """ volume based instantaneous shoreline position (momentane kustlijn ligging; MKL) if x and z are provided, they should be 1D arrays. if not, x (cross-shore) and z (altitude) are obtained using the available filter settings """ if (upper-lower)<=0: # boundaries have to consistent (upper>lower) logger.warning('No MKL can be derived with inconsistent boundaries (lower=%g, upper=%g)'%(lower,upper)) return None from shapely.geometry import asShape import shapely.geometry if x is None and z is None: x = self.get_data('cross_shore') z = self.get_data('altitude') xMKL = np.ones(z.shape[:2]) * np.nan zMKL = np.ones(z.shape[:2]) * np.nan for it in np.arange(z.shape[0]): for il in np.arange(z.shape[1]): mask = z[it,il,].mask result = self.MKL(x=x[~mask], z=z[it,il,].data[~mask], lower=lower, upper=upper) if result: xMKL[it,il] = result['mkl'][0] zMKL[it,il] = result['mkl'][1] return xMKL,zMKL # try: # shapelock.acquire() if hasattr(z, 'mask'): logger.debug('only non-masked values are retained') x = x[z.mask] z = z.data[z.mask] if len(x) < 3: logger.debug('x vector has only %i elements where at least 2 are required', len(x)) return None # look up coordinates X = np.c_[x, z] # define an interpolation function f = interp1d(x, z, kind='linear',bounds_error=False, copy=True) # convert them to a shape # look up the bounds of the profile min_x = x.min() min_z = z.min() max_x = x.max() # we do not want any double points, cause that invalidates a polygon (SFS) # go down one extra, because we don't want to go backward through the same points coords = np.r_[X,[[max_x, min_z-1],[min_x, min_z-1], X[0,:]]] # poly_x = asShape(shapely.geometry.asPolygon(coords)) poly_x = shapely.geometry.Polygon(coords.astype('float')) assert poly_x.is_valid # look up the lower intersections with the lower and upper boundary # lower line_lower = asShape(shapely.geometry.asLineString([[min_x, lower], [max_x, lower]])) assert line_lower.is_valid intersects_lower = (line_lower.intersection(poly_x)) assert intersects_lower.is_valid # upper line_upper = asShape(shapely.geometry.asLineString([[min_x, upper], [max_x, upper]])) assert line_upper.is_valid intersects_upper = (line_upper.intersection(poly_x)) assert intersects_upper.is_valid if intersects_lower.is_empty or intersects_upper.is_empty: logger.debug('one or both boundaries does not intersect with profile') return None # by using the bounds, the number of intersections doesn't matter swb = intersects_lower.bounds[2] lwb = intersects_upper.bounds[2] # calculate mkl using maximum method boundary_box = shapely.geometry.asPolygon([[lwb,upper], [lwb, lower], [swb,lower], [swb, upper], [lwb,upper]]) mkl_volume = boundary_box.intersection(poly_x) if boundary_box.area+mkl_volume.area == 0: return None mkl_x = lwb + (swb-lwb)*(mkl_volume.area/(boundary_box.area+mkl_volume.area)) mkl_y = f(mkl_x) result = {} result['mkl'] = asarray([mkl_x, mkl_y]) result['lwb'] = asarray([lwb, upper]) result['swb'] = asarray([swb, lower]) result['mkl_volume'] = mkl_volume result['X'] = X # finally: # shapelock.release() return result def get_jrk(self): """ Convert current selection of data to .jrk string """ fmt = '%6i%6i3' years = self.time2year(self.get_data('time')) z = self.get_data('altitude') o = self.get_data('origin') aids = self.get_data('id') x = self.get_data('cross_shore') s = '' for ia,aid in enumerate(aids): for i,year in enumerate(years): zc = np.ma.masked_invalid(np.squeeze(z[i,ia,:])) idx = zc.mask == False nx = np.count_nonzero(idx) if nx == 0: continue zc = zc[idx]*100 xc = x[idx] data = list(zip(xc, zc)) if not nx%5 == 0: # fill incomplete rows with dummy values dummyvals = [(99999, 999999)] * (5-nx%5) data = data + dummyvals # create header line s = '%s%6i%6i%6i%6i%6i%6i%6i\n'%(s, (aid-aid%1e6)/1e6, year, aid%1e6, 0, 0, 0, nx) for j,d in enumerate(zip(data)): if d == (99999, 999999): fmt = '%6i%6i9' else: # add code 3 (interpolated) to all fmt = '%6i%6i3' # TODO: use actual code s = s + fmt%d[0] if (j+1)%5==0: s = '%s\n'%s else: s = '%s '%s return s
openearth/jarkus
jarkus/transects.py
Python
gpl-3.0
12,785
[ "NetCDF" ]
128ad1ac6f6962ec39d6e95d9dd72097108eac3a62bc5c168aed06a2aa377bf3
# # Copyright (C) 2008, Brian Tanner # # http://rl-glue-ext.googlecode.com/ # # Licensed under the Apache License, Version 2.0 (the "License" # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # import rlglued.rlglue as rlglue which_episode = 0 def run_episode(obj, step_limit): global which_episode terminal = obj.run_episode(step_limit) total_steps = obj.num_steps() total_reward = obj.reward_return() print "Episode " + str(which_episode) + "\t " + str(total_steps) + " steps \t" + str( total_reward) + " total reward\t " + str(terminal) + " natural end" which_episode += 1 # Main Program starts here rl_glue = rlglue.RLGlue() print "\n\nExperiment starting up!" task_spec = rl_glue.init() print "RL_init called, the environment sent task spec: " + task_spec print "\n\n----------Sending some sample messages----------" # Talk to the agent and environment a bit...*/ responseMessage = rl_glue.agent_message("what is your name?") print "Agent responded to \"what is your name?\" with: " + responseMessage responseMessage = rl_glue.agent_message("If at first you don't succeed; call it version 1.0") print "Agent responded to \"If at first you don't succeed; call it version 1.0 \" with: " + responseMessage + "\n" responseMessage = rl_glue.env_message("what is your name?") print "Environment responded to \"what is your name?\" with: " + responseMessage responseMessage = rl_glue.env_message("If at first you don't succeed; call it version 1.0") print "Environment responded to \"If at first you don't succeed; call it version 1.0 \" with: " + responseMessage print "\n\n----------Running a few episodes----------" run_episode(rl_glue, 100) run_episode(rl_glue, 100) run_episode(rl_glue, 100) run_episode(rl_glue, 100) run_episode(rl_glue, 100) run_episode(rl_glue, 1) # Remember that stepLimit of 0 means there is no limit at all!*/ run_episode(rl_glue, 0) rl_glue.cleanup() print "\n\n----------Stepping through an episode----------" # We could also start over and do another experiment */ task_spec = rl_glue.init() # We could run one step at a time instead of one episode at a time */ # Start the episode */ start_response = rl_glue.start() first_obs = start_response.o.intArray[0] first_act = start_response.a.intArray[0] print "First observation and action were: " + str(first_obs) + " and: " + str(first_act) # Run one step */ stepResponse = rl_glue.step() # Run until the episode ends*/ while stepResponse.terminal != 1: stepResponse = rl_glue.step() # if (stepResponse.terminal != 1) # Could optionally print state,action pairs */ # printf("(%d,%d) ",stepResponse.o.intArray[0],stepResponse.a.intArray[0])*/ print "\n\n----------Summary----------" totalSteps = rl_glue.num_steps() totalReward = rl_glue.reward_return() print "It ran for " + str(totalSteps) + " steps, total reward was: " + str(totalReward) rl_glue.cleanup()
evenmarbles/rlglued
examples/skeleton/skeletonexperiment.py
Python
bsd-3-clause
3,325
[ "Brian" ]
16547531c7b8dc8ae8674d9b74c3105bdaac7da53d7af839dfaca33ea58fe027
# # libtcod 1.5.2 python wrapper # Copyright (c) 2008,2009,2010 Jice & Mingos # All rights reserved. # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions are met: # * Redistributions of source code must retain the above copyright # notice, this list of conditions and the following disclaimer. # * Redistributions in binary form must reproduce the above copyright # notice, this list of conditions and the following disclaimer in the # documentation and/or other materials provided with the distribution. # * The name of Jice or Mingos may not be used to endorse or promote products # derived from this software without specific prior written permission. # # THIS SOFTWARE IS PROVIDED BY JICE AND MINGOS ``AS IS'' AND ANY # EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED # WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE # DISCLAIMED. IN NO EVENT SHALL JICE OR MINGOS BE LIABLE FOR ANY # DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES # (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; # LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND # ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT # (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS # SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. # import os import sys import ctypes import struct from ctypes import * if not hasattr(ctypes, "c_bool"): # for Python < 2.6 c_bool = c_uint8 try: #import NumPy if available import numpy numpy_available = True except ImportError: numpy_available = False LINUX=False MAC=False MINGW=False MSVC=False path=os.path.dirname(os.path.abspath(__file__)) if sys.platform.find('linux') != -1: _lib = ctypes.cdll[path + '/libtcod.so'] LINUX=True elif sys.platform.find('darwin') != -1: _lib = ctypes.cdll[path + '/libtcod.dylib'] MAC = True elif sys.platform.find('haiku') != -1: _lib = ctypes.cdll[path + '/libtcod.so'] HAIKU = True else: try: _lib = ctypes.cdll[path + '/libtcod-mingw.dll'] MINGW=True except WindowsError: _lib = ctypes.cdll[path + '/libtcod-VS.dll'] MSVC=True # On Windows, ctypes doesn't work well with function returning structs, # so we have to user the _wrapper functions instead _lib.TCOD_color_multiply = _lib.TCOD_color_multiply_wrapper _lib.TCOD_color_add = _lib.TCOD_color_add_wrapper _lib.TCOD_color_multiply_scalar = _lib.TCOD_color_multiply_scalar_wrapper _lib.TCOD_color_subtract = _lib.TCOD_color_subtract_wrapper _lib.TCOD_color_lerp = _lib.TCOD_color_lerp_wrapper _lib.TCOD_console_get_default_background = _lib.TCOD_console_get_default_background_wrapper _lib.TCOD_console_get_default_foreground = _lib.TCOD_console_get_default_foreground_wrapper _lib.TCOD_console_get_char_background = _lib.TCOD_console_get_char_background_wrapper _lib.TCOD_console_get_char_foreground = _lib.TCOD_console_get_char_foreground_wrapper _lib.TCOD_console_get_fading_color = _lib.TCOD_console_get_fading_color_wrapper _lib.TCOD_image_get_pixel = _lib.TCOD_image_get_pixel_wrapper _lib.TCOD_image_get_mipmap_pixel = _lib.TCOD_image_get_mipmap_pixel_wrapper _lib.TCOD_parser_get_color_property = _lib.TCOD_parser_get_color_property_wrapper HEXVERSION = 0x010502 STRVERSION = "1.5.2" TECHVERSION = 0x01050200 ############################ # color module ############################ class Color(Structure): _fields_ = [('r', c_uint8), ('g', c_uint8), ('b', c_uint8), ] def __eq__(self, c): return _lib.TCOD_color_equals(self, c) def __mul__(self, c): if isinstance(c,Color): return _lib.TCOD_color_multiply(self, c) else: return _lib.TCOD_color_multiply_scalar(self, c_float(c)) def __add__(self, c): return _lib.TCOD_color_add(self, c) def __sub__(self, c): return _lib.TCOD_color_subtract(self, c) def __repr__(self): return "Color(%d,%d,%d)" % (self.r, self.g, self.b) def __getitem__(self, i): if type(i) == str: return getattr(self, i) else: return getattr(self, "rgb"[i]) def __setitem__(self, i, c): if type(i) == str: setattr(self, i, c) else: setattr(self, "rgb"[i], c) def __iter__(self): yield self.r yield self.g yield self.b # Should be valid on any platform, check it! Has to be done after Color is defined. if MAC: from cprotos import setup_protos setup_protos(_lib) _lib.TCOD_color_equals.restype = c_bool _lib.TCOD_color_multiply.restype = Color _lib.TCOD_color_multiply_scalar.restype = Color _lib.TCOD_color_add.restype = Color _lib.TCOD_color_subtract.restype = Color # default colors # grey levels black=Color(0,0,0) darkest_grey=Color(31,31,31) darker_grey=Color(63,63,63) dark_grey=Color(95,95,95) grey=Color(127,127,127) light_grey=Color(159,159,159) lighter_grey=Color(191,191,191) lightest_grey=Color(223,223,223) darkest_gray=Color(31,31,31) darker_gray=Color(63,63,63) dark_gray=Color(95,95,95) gray=Color(127,127,127) light_gray=Color(159,159,159) lighter_gray=Color(191,191,191) lightest_gray=Color(223,223,223) white=Color(255,255,255) # sepia darkest_sepia=Color(31,24,15) darker_sepia=Color(63,50,31) dark_sepia=Color(94,75,47) sepia=Color(127,101,63) light_sepia=Color(158,134,100) lighter_sepia=Color(191,171,143) lightest_sepia=Color(222,211,195) #standard colors red=Color(255,0,0) flame=Color(255,63,0) orange=Color(255,127,0) amber=Color(255,191,0) yellow=Color(255,255,0) lime=Color(191,255,0) chartreuse=Color(127,255,0) green=Color(0,255,0) sea=Color(0,255,127) turquoise=Color(0,255,191) cyan=Color(0,255,255) sky=Color(0,191,255) azure=Color(0,127,255) blue=Color(0,0,255) han=Color(63,0,255) violet=Color(127,0,255) purple=Color(191,0,255) fuchsia=Color(255,0,255) magenta=Color(255,0,191) pink=Color(255,0,127) crimson=Color(255,0,63) # dark colors dark_red=Color(191,0,0) dark_flame=Color(191,47,0) dark_orange=Color(191,95,0) dark_amber=Color(191,143,0) dark_yellow=Color(191,191,0) dark_lime=Color(143,191,0) dark_chartreuse=Color(95,191,0) dark_green=Color(0,191,0) dark_sea=Color(0,191,95) dark_turquoise=Color(0,191,143) dark_cyan=Color(0,191,191) dark_sky=Color(0,143,191) dark_azure=Color(0,95,191) dark_blue=Color(0,0,191) dark_han=Color(47,0,191) dark_violet=Color(95,0,191) dark_purple=Color(143,0,191) dark_fuchsia=Color(191,0,191) dark_magenta=Color(191,0,143) dark_pink=Color(191,0,95) dark_crimson=Color(191,0,47) # darker colors darker_red=Color(127,0,0) darker_flame=Color(127,31,0) darker_orange=Color(127,63,0) darker_amber=Color(127,95,0) darker_yellow=Color(127,127,0) darker_lime=Color(95,127,0) darker_chartreuse=Color(63,127,0) darker_green=Color(0,127,0) darker_sea=Color(0,127,63) darker_turquoise=Color(0,127,95) darker_cyan=Color(0,127,127) darker_sky=Color(0,95,127) darker_azure=Color(0,63,127) darker_blue=Color(0,0,127) darker_han=Color(31,0,127) darker_violet=Color(63,0,127) darker_purple=Color(95,0,127) darker_fuchsia=Color(127,0,127) darker_magenta=Color(127,0,95) darker_pink=Color(127,0,63) darker_crimson=Color(127,0,31) # darkest colors darkest_red=Color(63,0,0) darkest_flame=Color(63,15,0) darkest_orange=Color(63,31,0) darkest_amber=Color(63,47,0) darkest_yellow=Color(63,63,0) darkest_lime=Color(47,63,0) darkest_chartreuse=Color(31,63,0) darkest_green=Color(0,63,0) darkest_sea=Color(0,63,31) darkest_turquoise=Color(0,63,47) darkest_cyan=Color(0,63,63) darkest_sky=Color(0,47,63) darkest_azure=Color(0,31,63) darkest_blue=Color(0,0,63) darkest_han=Color(15,0,63) darkest_violet=Color(31,0,63) darkest_purple=Color(47,0,63) darkest_fuchsia=Color(63,0,63) darkest_magenta=Color(63,0,47) darkest_pink=Color(63,0,31) darkest_crimson=Color(63,0,15) # light colors light_red=Color(255,114,114) light_flame=Color(255,149,114) light_orange=Color(255,184,114) light_amber=Color(255,219,114) light_yellow=Color(255,255,114) light_lime=Color(219,255,114) light_chartreuse=Color(184,255,114) light_green=Color(114,255,114) light_sea=Color(114,255,184) light_turquoise=Color(114,255,219) light_cyan=Color(114,255,255) light_sky=Color(114,219,255) light_azure=Color(114,184,255) light_blue=Color(114,114,255) light_han=Color(149,114,255) light_violet=Color(184,114,255) light_purple=Color(219,114,255) light_fuchsia=Color(255,114,255) light_magenta=Color(255,114,219) light_pink=Color(255,114,184) light_crimson=Color(255,114,149) #lighter colors lighter_red=Color(255,165,165) lighter_flame=Color(255,188,165) lighter_orange=Color(255,210,165) lighter_amber=Color(255,232,165) lighter_yellow=Color(255,255,165) lighter_lime=Color(232,255,165) lighter_chartreuse=Color(210,255,165) lighter_green=Color(165,255,165) lighter_sea=Color(165,255,210) lighter_turquoise=Color(165,255,232) lighter_cyan=Color(165,255,255) lighter_sky=Color(165,232,255) lighter_azure=Color(165,210,255) lighter_blue=Color(165,165,255) lighter_han=Color(188,165,255) lighter_violet=Color(210,165,255) lighter_purple=Color(232,165,255) lighter_fuchsia=Color(255,165,255) lighter_magenta=Color(255,165,232) lighter_pink=Color(255,165,210) lighter_crimson=Color(255,165,188) # lightest colors lightest_red=Color(255,191,191) lightest_flame=Color(255,207,191) lightest_orange=Color(255,223,191) lightest_amber=Color(255,239,191) lightest_yellow=Color(255,255,191) lightest_lime=Color(239,255,191) lightest_chartreuse=Color(223,255,191) lightest_green=Color(191,255,191) lightest_sea=Color(191,255,223) lightest_turquoise=Color(191,255,239) lightest_cyan=Color(191,255,255) lightest_sky=Color(191,239,255) lightest_azure=Color(191,223,255) lightest_blue=Color(191,191,255) lightest_han=Color(207,191,255) lightest_violet=Color(223,191,255) lightest_purple=Color(239,191,255) lightest_fuchsia=Color(255,191,255) lightest_magenta=Color(255,191,239) lightest_pink=Color(255,191,223) lightest_crimson=Color(255,191,207) # desaturated colors desaturated_red=Color(127,63,63) desaturated_flame=Color(127,79,63) desaturated_orange=Color(127,95,63) desaturated_amber=Color(127,111,63) desaturated_yellow=Color(127,127,63) desaturated_lime=Color(111,127,63) desaturated_chartreuse=Color(95,127,63) desaturated_green=Color(63,127,63) desaturated_sea=Color(63,127,95) desaturated_turquoise=Color(63,127,111) desaturated_cyan=Color(63,127,127) desaturated_sky=Color(63,111,127) desaturated_azure=Color(63,95,127) desaturated_blue=Color(63,63,127) desaturated_han=Color(79,63,127) desaturated_violet=Color(95,63,127) desaturated_purple=Color(111,63,127) desaturated_fuchsia=Color(127,63,127) desaturated_magenta=Color(127,63,111) desaturated_pink=Color(127,63,95) desaturated_crimson=Color(127,63,79) # metallic brass=Color(191,151,96) copper=Color(197,136,124) gold=Color(229,191,0) silver=Color(203,203,203) # miscellaneous celadon=Color(172,255,175) peach=Color(255,159,127) # color functions _lib.TCOD_color_lerp.restype = Color def color_lerp(c1, c2, a): return _lib.TCOD_color_lerp(c1, c2, c_float(a)) def color_set_hsv(c, h, s, v): _lib.TCOD_color_set_HSV(byref(c), c_float(h), c_float(s), c_float(v)) def color_get_hsv(c): h = c_float() s = c_float() v = c_float() _lib.TCOD_color_get_HSV(c, byref(h), byref(s), byref(v)) return h.value, s.value, v.value def color_scale_HSV(c, scoef, vcoef) : _lib.TCOD_color_scale_HSV(byref(c),c_float(scoef),c_float(vcoef)) def color_gen_map(colors, indexes): ccolors = (Color * len(colors))(*colors) cindexes = (c_int * len(indexes))(*indexes) cres = (Color * (max(indexes) + 1))() _lib.TCOD_color_gen_map(cres, len(colors), ccolors, cindexes) return cres ############################ # console module ############################ class Key(Structure): _fields_=[('vk', c_int), ('c', c_uint8), ('pressed', c_bool), ('lalt', c_bool), ('lctrl', c_bool), ('ralt', c_bool), ('rctrl', c_bool), ('shift', c_bool), ] class ConsoleBuffer: # simple console that allows direct (fast) access to cells. simplifies # use of the "fill" functions. def __init__(self, width, height, back_r=0, back_g=0, back_b=0, fore_r=0, fore_g=0, fore_b=0, char=' '): # initialize with given width and height. values to fill the buffer # are optional, defaults to black with no characters. n = width * height self.width = width self.height = height self.clear(back_r, back_g, back_b, fore_r, fore_g, fore_b, char) def clear(self, back_r=0, back_g=0, back_b=0, fore_r=0, fore_g=0, fore_b=0, char=' '): # clears the console. values to fill it with are optional, defaults # to black with no characters. n = self.width * self.height self.back_r = [back_r] * n self.back_g = [back_g] * n self.back_b = [back_b] * n self.fore_r = [fore_r] * n self.fore_g = [fore_g] * n self.fore_b = [fore_b] * n self.char = [ord(char)] * n def copy(self): # returns a copy of this ConsoleBuffer. other = ConsoleBuffer(0, 0) other.width = self.width other.height = self.height other.back_r = list(self.back_r) # make explicit copies of all lists other.back_g = list(self.back_g) other.back_b = list(self.back_b) other.fore_r = list(self.fore_r) other.fore_g = list(self.fore_g) other.fore_b = list(self.fore_b) other.char = list(self.char) return other def set_fore(self, x, y, r, g, b, char): # set the character and foreground color of one cell. i = self.width * y + x self.fore_r[i] = r self.fore_g[i] = g self.fore_b[i] = b self.char[i] = ord(char) def set_back(self, x, y, r, g, b): # set the background color of one cell. i = self.width * y + x self.back_r[i] = r self.back_g[i] = g self.back_b[i] = b def set(self, x, y, back_r, back_g, back_b, fore_r, fore_g, fore_b, char): # set the background color, foreground color and character of one cell. i = self.width * y + x self.back_r[i] = back_r self.back_g[i] = back_g self.back_b[i] = back_b self.fore_r[i] = fore_r self.fore_g[i] = fore_g self.fore_b[i] = fore_b self.char[i] = ord(char) def blit(self, dest, fill_fore=True, fill_back=True): # use libtcod's "fill" functions to write the buffer to a console. if (console_get_width(dest) != self.width or console_get_height(dest) != self.height): raise ValueError('ConsoleBuffer.blit: Destination console has an incorrect size.') s = struct.Struct('%di' % len(self.back_r)) if fill_back: _lib.TCOD_console_fill_background(dest, (c_int * len(self.back_r))(*self.back_r), (c_int * len(self.back_g))(*self.back_g), (c_int * len(self.back_b))(*self.back_b)) if fill_fore: _lib.TCOD_console_fill_foreground(dest, (c_int * len(self.fore_r))(*self.fore_r), (c_int * len(self.fore_g))(*self.fore_g), (c_int * len(self.fore_b))(*self.fore_b)) _lib.TCOD_console_fill_char(dest, (c_int * len(self.char))(*self.char)) _lib.TCOD_console_credits_render.restype = c_bool _lib.TCOD_console_is_fullscreen.restype = c_bool _lib.TCOD_console_is_window_closed.restype = c_bool _lib.TCOD_console_has_mouse_focus.restype = c_bool _lib.TCOD_console_is_active.restype = c_bool _lib.TCOD_console_get_default_background.restype = Color _lib.TCOD_console_get_default_foreground.restype = Color _lib.TCOD_console_get_char_background.restype = Color _lib.TCOD_console_get_char_foreground.restype = Color _lib.TCOD_console_get_fading_color.restype = Color _lib.TCOD_console_is_key_pressed.restype = c_bool # background rendering modes BKGND_NONE = 0 BKGND_SET = 1 BKGND_MULTIPLY = 2 BKGND_LIGHTEN = 3 BKGND_DARKEN = 4 BKGND_SCREEN = 5 BKGND_COLOR_DODGE = 6 BKGND_COLOR_BURN = 7 BKGND_ADD = 8 BKGND_ADDA = 9 BKGND_BURN = 10 BKGND_OVERLAY = 11 BKGND_ALPH = 12 BKGND_DEFAULT=13 def BKGND_ALPHA(a): return BKGND_ALPH | (int(a * 255) << 8) def BKGND_ADDALPHA(a): return BKGND_ADDA | (int(a * 255) << 8) # non blocking key events types KEY_PRESSED = 1 KEY_RELEASED = 2 # key codes KEY_NONE = 0 KEY_ESCAPE = 1 KEY_BACKSPACE = 2 KEY_TAB = 3 KEY_ENTER = 4 KEY_SHIFT = 5 KEY_CONTROL = 6 KEY_ALT = 7 KEY_PAUSE = 8 KEY_CAPSLOCK = 9 KEY_PAGEUP = 10 KEY_PAGEDOWN = 11 KEY_END = 12 KEY_HOME = 13 KEY_UP = 14 KEY_LEFT = 15 KEY_RIGHT = 16 KEY_DOWN = 17 KEY_PRINTSCREEN = 18 KEY_INSERT = 19 KEY_DELETE = 20 KEY_LWIN = 21 KEY_RWIN = 22 KEY_APPS = 23 KEY_0 = 24 KEY_1 = 25 KEY_2 = 26 KEY_3 = 27 KEY_4 = 28 KEY_5 = 29 KEY_6 = 30 KEY_7 = 31 KEY_8 = 32 KEY_9 = 33 KEY_KP0 = 34 KEY_KP1 = 35 KEY_KP2 = 36 KEY_KP3 = 37 KEY_KP4 = 38 KEY_KP5 = 39 KEY_KP6 = 40 KEY_KP7 = 41 KEY_KP8 = 42 KEY_KP9 = 43 KEY_KPADD = 44 KEY_KPSUB = 45 KEY_KPDIV = 46 KEY_KPMUL = 47 KEY_KPDEC = 48 KEY_KPENTER = 49 KEY_F1 = 50 KEY_F2 = 51 KEY_F3 = 52 KEY_F4 = 53 KEY_F5 = 54 KEY_F6 = 55 KEY_F7 = 56 KEY_F8 = 57 KEY_F9 = 58 KEY_F10 = 59 KEY_F11 = 60 KEY_F12 = 61 KEY_NUMLOCK = 62 KEY_SCROLLLOCK = 63 KEY_SPACE = 64 KEY_CHAR = 65 # special chars # single walls CHAR_HLINE = 196 CHAR_VLINE = 179 CHAR_NE = 191 CHAR_NW = 218 CHAR_SE = 217 CHAR_SW = 192 CHAR_TEEW = 180 CHAR_TEEE = 195 CHAR_TEEN = 193 CHAR_TEES = 194 CHAR_CROSS = 197 # double walls CHAR_DHLINE = 205 CHAR_DVLINE = 186 CHAR_DNE = 187 CHAR_DNW = 201 CHAR_DSE = 188 CHAR_DSW = 200 CHAR_DTEEW = 185 CHAR_DTEEE = 204 CHAR_DTEEN = 202 CHAR_DTEES = 203 CHAR_DCROSS = 206 # blocks CHAR_BLOCK1 = 176 CHAR_BLOCK2 = 177 CHAR_BLOCK3 = 178 # arrows CHAR_ARROW_N = 24 CHAR_ARROW_S = 25 CHAR_ARROW_E = 26 CHAR_ARROW_W = 27 # arrows without tail CHAR_ARROW2_N = 30 CHAR_ARROW2_S = 31 CHAR_ARROW2_E = 16 CHAR_ARROW2_W = 17 # double arrows CHAR_DARROW_H = 29 CHAR_DARROW_V = 18 # GUI stuff CHAR_CHECKBOX_UNSET = 224 CHAR_CHECKBOX_SET = 225 CHAR_RADIO_UNSET = 9 CHAR_RADIO_SET = 10 # sub-pixel resolution kit CHAR_SUBP_NW = 226 CHAR_SUBP_NE = 227 CHAR_SUBP_N = 228 CHAR_SUBP_SE = 229 CHAR_SUBP_DIAG = 230 CHAR_SUBP_E = 231 CHAR_SUBP_SW = 232 # misc characters CHAR_BULLET = 7 CHAR_BULLET_INV = 8 CHAR_BULLET_SQUARE = 254 CHAR_CENT = 189 CHAR_CLUB = 5 CHAR_COPYRIGHT = 184 CHAR_CURRENCY = 207 CHAR_DIAMOND = 4 CHAR_DIVISION = 246 CHAR_EXCLAM_DOUBLE = 19 CHAR_FEMALE = 12 CHAR_FUNCTION = 159 CHAR_GRADE = 248 CHAR_HALF = 171 CHAR_HEART = 3 CHAR_LIGHT = 15 CHAR_MALE = 11 CHAR_MULTIPLICATION = 158 CHAR_NOTE = 13 CHAR_NOTE_DOUBLE = 14 CHAR_ONE_QUARTER = 172 CHAR_PILCROW = 20 CHAR_POUND = 156 CHAR_POW1 = 251 CHAR_POW2 = 253 CHAR_POW3 = 252 CHAR_RESERVED = 169 CHAR_SECTION = 21 CHAR_SMILIE = 1 CHAR_SMILIE_INV = 2 CHAR_SPADE = 6 CHAR_THREE_QUARTERS = 243 CHAR_UMLAUT = 249 CHAR_YEN = 190 # font flags FONT_LAYOUT_ASCII_INCOL = 1 FONT_LAYOUT_ASCII_INROW = 2 FONT_TYPE_GREYSCALE = 4 FONT_TYPE_GRAYSCALE = 4 FONT_LAYOUT_TCOD = 8 # color control codes COLCTRL_1=1 COLCTRL_2=2 COLCTRL_3=3 COLCTRL_4=4 COLCTRL_5=5 COLCTRL_NUMBER=5 COLCTRL_FORE_RGB=6 COLCTRL_BACK_RGB=7 COLCTRL_STOP=8 # renderers RENDERER_GLSL=0 RENDERER_OPENGL=1 RENDERER_SDL=2 NB_RENDERERS=3 # alignment LEFT=0 RIGHT=1 CENTER=2 # initializing the console def console_init_root(w, h, title, fullscreen=False, renderer=RENDERER_SDL): _lib.TCOD_console_init_root(w, h, c_char_p(title), fullscreen, renderer) def console_get_width(con): return _lib.TCOD_console_get_width(con) def console_get_height(con): return _lib.TCOD_console_get_height(con) def console_set_custom_font(fontFile, flags=FONT_LAYOUT_ASCII_INCOL, nb_char_horiz=0, nb_char_vertic=0): _lib.TCOD_console_set_custom_font(c_char_p(fontFile), flags, nb_char_horiz, nb_char_vertic) def console_map_ascii_code_to_font(asciiCode, fontCharX, fontCharY): if type(asciiCode) == str or type(asciiCode) == bytes: _lib.TCOD_console_map_ascii_code_to_font(ord(asciiCode), fontCharX, fontCharY) else: _lib.TCOD_console_map_ascii_code_to_font(asciiCode, fontCharX, fontCharY) def console_map_ascii_codes_to_font(firstAsciiCode, nbCodes, fontCharX, fontCharY): if type(firstAsciiCode) == str or type(firstAsciiCode) == bytes: _lib.TCOD_console_map_ascii_codes_to_font(ord(firstAsciiCode), nbCodes, fontCharX, fontCharY) else: _lib.TCOD_console_map_ascii_codes_to_font(firstAsciiCode, nbCodes, fontCharX, fontCharY) def console_map_string_to_font(s, fontCharX, fontCharY): if type(s) == bytes: _lib.TCOD_console_map_string_to_font(s, fontCharX, fontCharY) else: _lib.TCOD_console_map_string_to_font_utf(s, fontCharX, fontCharY) def console_is_fullscreen(): return _lib.TCOD_console_is_fullscreen() def console_set_fullscreen(fullscreen): _lib.TCOD_console_set_fullscreen(c_int(fullscreen)) def console_is_window_closed(): return _lib.TCOD_console_is_window_closed() def console_has_mouse_focus(): return _lib.TCOD_console_has_mouse_focus() def console_is_active(): return _lib.TCOD_console_is_active() def console_set_window_title(title): _lib.TCOD_console_set_window_title(c_char_p(title)) def console_credits(): _lib.TCOD_console_credits() def console_credits_reset(): _lib.TCOD_console_credits_reset() def console_credits_render(x, y, alpha): return _lib.TCOD_console_credits_render(x, y, c_int(alpha)) def console_flush(): _lib.TCOD_console_flush() # drawing on a console def console_set_default_background(con, col): _lib.TCOD_console_set_default_background(con, col) def console_set_default_foreground(con, col): _lib.TCOD_console_set_default_foreground(con, col) def console_clear(con): return _lib.TCOD_console_clear(con) def console_put_char(con, x, y, c, flag=BKGND_DEFAULT): if type(c) == str or type(c) == bytes: _lib.TCOD_console_put_char(con, x, y, ord(c), flag) else: _lib.TCOD_console_put_char(con, x, y, c, flag) def console_put_char_ex(con, x, y, c, fore, back): if type(c) == str or type(c) == bytes: _lib.TCOD_console_put_char_ex(con, x, y, ord(c), fore, back) else: _lib.TCOD_console_put_char_ex(con, x, y, c, fore, back) def console_set_char_background(con, x, y, col, flag=BKGND_SET): _lib.TCOD_console_set_char_background(con, x, y, col, flag) def console_set_char_foreground(con, x, y, col): _lib.TCOD_console_set_char_foreground(con, x, y, col) def console_set_char(con, x, y, c): if type(c) == str or type(c) == bytes: _lib.TCOD_console_set_char(con, x, y, ord(c)) else: _lib.TCOD_console_set_char(con, x, y, c) def console_set_background_flag(con, flag): _lib.TCOD_console_set_background_flag(con, c_int(flag)) def console_get_background_flag(con): return _lib.TCOD_console_get_background_flag(con) def console_set_alignment(con, alignment): _lib.TCOD_console_set_alignment(con, c_int(alignment)) def console_get_alignment(con): return _lib.TCOD_console_get_alignment(con) def console_print(con, x, y, fmt): if type(fmt) == bytes: _lib.TCOD_console_print(c_void_p(con), x, y, c_char_p(fmt)) else: _lib.TCOD_console_print_utf(c_void_p(con), x, y, fmt) def console_print_ex(con, x, y, flag, alignment, fmt): if type(fmt) == bytes: _lib.TCOD_console_print_ex(c_void_p(con), x, y, flag, alignment, c_char_p(fmt)) else: _lib.TCOD_console_print_ex_utf(c_void_p(con), x, y, flag, alignment, fmt) def console_print_rect(con, x, y, w, h, fmt): if type(fmt) == bytes: return _lib.TCOD_console_print_rect(c_void_p(con), x, y, w, h, c_char_p(fmt)) else: return _lib.TCOD_console_print_rect_utf(c_void_p(con), x, y, w, h, fmt) def console_print_rect_ex(con, x, y, w, h, flag, alignment, fmt): if type(fmt) == bytes: return _lib.TCOD_console_print_rect_ex(c_void_p(con), x, y, w, h, flag, alignment, c_char_p(fmt)) else: return _lib.TCOD_console_print_rect_ex_utf(c_void_p(con), x, y, w, h, flag, alignment, fmt) def console_get_height_rect(con, x, y, w, h, fmt): if type(fmt) == bytes: return _lib.TCOD_console_get_height_rect(c_void_p(con), x, y, w, h, c_char_p(fmt)) else: return _lib.TCOD_console_get_height_rect_utf(c_void_p(con), x, y, w, h, fmt) def console_rect(con, x, y, w, h, clr, flag=BKGND_DEFAULT): _lib.TCOD_console_rect(con, x, y, w, h, c_int(clr), flag) def console_hline(con, x, y, l, flag=BKGND_DEFAULT): _lib.TCOD_console_hline( con, x, y, l, flag) def console_vline(con, x, y, l, flag=BKGND_DEFAULT): _lib.TCOD_console_vline( con, x, y, l, flag) def console_print_frame(con, x, y, w, h, clear=True, flag=BKGND_DEFAULT, fmt=0): _lib.TCOD_console_print_frame(c_void_p(con), x, y, w, h, c_int(clear), flag, c_char_p(fmt)) def console_set_color_control(con,fore,back) : _lib.TCOD_console_set_color_control(con,fore,back) def console_get_default_background(con): return _lib.TCOD_console_get_default_background(con) def console_get_default_foreground(con): return _lib.TCOD_console_get_default_foreground(con) def console_get_char_background(con, x, y): return _lib.TCOD_console_get_char_background(con, x, y) def console_get_char_foreground(con, x, y): return _lib.TCOD_console_get_char_foreground(con, x, y) def console_get_char(con, x, y): return _lib.TCOD_console_get_char(con, x, y) def console_set_fade(fade, fadingColor): _lib.TCOD_console_set_fade(fade, fadingColor) ##_lib.TCOD_console_set_fade_wrapper(fade, fadingColor) def console_get_fade(): return _lib.TCOD_console_get_fade().value def console_get_fading_color(): return _lib.TCOD_console_get_fading_color() # handling keyboard input def console_wait_for_keypress(flush): k=Key() _lib.TCOD_console_wait_for_keypress_wrapper(byref(k),c_bool(flush)) return k def console_check_for_keypress(flags=KEY_RELEASED): k=Key() _lib.TCOD_console_check_for_keypress_wrapper(byref(k),c_int(flags)) return k def console_is_key_pressed(key): return _lib.TCOD_console_is_key_pressed(key) def console_set_keyboard_repeat(initial_delay, interval): _lib.TCOD_console_set_keyboard_repeat(initial_delay, interval) def console_disable_keyboard_repeat(): _lib.TCOD_console_disable_keyboard_repeat() # using offscreen consoles def console_new(w, h): return _lib.TCOD_console_new(w, h) def console_from_file(filename): return _lib.TCOD_console_from_file(filename) def console_get_width(con): return _lib.TCOD_console_get_width(con) def console_get_height(con): return _lib.TCOD_console_get_height(con) def console_blit(src, x, y, w, h, dst, xdst, ydst, ffade=1.0,bfade=1.0): _lib.TCOD_console_blit(src, x, y, w, h, dst, xdst, ydst, c_float(ffade), c_float(bfade)) def console_set_key_color(con, col): _lib.TCOD_console_set_key_color(con, col) def console_delete(con): _lib.TCOD_console_delete(con) # fast color filling def console_fill_foreground(con,r,g,b) : if len(r) != len(g) or len(r) != len(b): raise TypeError('R, G and B must all have the same size.') if (numpy_available and isinstance(r, numpy.ndarray) and isinstance(g, numpy.ndarray) and isinstance(b, numpy.ndarray)): #numpy arrays, use numpy's ctypes functions r = numpy.ascontiguousarray(r, dtype=numpy.int32) g = numpy.ascontiguousarray(g, dtype=numpy.int32) b = numpy.ascontiguousarray(b, dtype=numpy.int32) cr = r.ctypes.data_as(POINTER(c_int)) cg = g.ctypes.data_as(POINTER(c_int)) cb = b.ctypes.data_as(POINTER(c_int)) else: # otherwise convert using ctypes arrays cr = (c_int * len(r))(*r) cg = (c_int * len(g))(*g) cb = (c_int * len(b))(*b) _lib.TCOD_console_fill_foreground(con, cr, cg, cb) def console_fill_background(con,r,g,b) : if len(r) != len(g) or len(r) != len(b): raise TypeError('R, G and B must all have the same size.') if (numpy_available and isinstance(r, numpy.ndarray) and isinstance(g, numpy.ndarray) and isinstance(b, numpy.ndarray)): #numpy arrays, use numpy's ctypes functions r = numpy.ascontiguousarray(r, dtype=numpy.int32) g = numpy.ascontiguousarray(g, dtype=numpy.int32) b = numpy.ascontiguousarray(b, dtype=numpy.int32) cr = r.ctypes.data_as(POINTER(c_int)) cg = g.ctypes.data_as(POINTER(c_int)) cb = b.ctypes.data_as(POINTER(c_int)) else: # otherwise convert using ctypes arrays cr = (c_int * len(r))(*r) cg = (c_int * len(g))(*g) cb = (c_int * len(b))(*b) _lib.TCOD_console_fill_background(con, cr, cg, cb) def console_fill_char(con,arr) : if (numpy_available and isinstance(arr, numpy.ndarray) ): #numpy arrays, use numpy's ctypes functions arr = numpy.ascontiguousarray(arr, dtype=numpy.int32) carr = arr.ctypes.data_as(POINTER(c_int)) else: #otherwise convert using the struct module carr = struct.pack('%di' % len(arr), *arr) _lib.TCOD_console_fill_char(con, carr) def console_load_asc(con, filename) : _lib.TCOD_console_load_asc(con,filename) def console_save_asc(con, filename) : _lib.TCOD_console_save_asc(con,filename) def console_load_apf(con, filename) : _lib.TCOD_console_load_apf(con,filename) def console_save_apf(con, filename) : _lib.TCOD_console_save_apf(con,filename) ############################ # sys module ############################ _lib.TCOD_sys_get_last_frame_length.restype = c_float _lib.TCOD_sys_elapsed_seconds.restype = c_float # high precision time functions def sys_set_fps(fps): _lib.TCOD_sys_set_fps(fps) def sys_get_fps(): return _lib.TCOD_sys_get_fps() def sys_get_last_frame_length(): return _lib.TCOD_sys_get_last_frame_length() def sys_sleep_milli(val): _lib.TCOD_sys_sleep_milli(c_uint(val)) def sys_elapsed_milli(): return _lib.TCOD_sys_elapsed_milli() def sys_elapsed_seconds(): return _lib.TCOD_sys_elapsed_seconds() def sys_set_renderer(renderer): _lib.TCOD_sys_set_renderer(renderer) def sys_get_renderer(): return _lib.TCOD_sys_get_renderer() # easy screenshots def sys_save_screenshot(name=0): _lib.TCOD_sys_save_screenshot(c_char_p(name)) # custom fullscreen resolution def sys_force_fullscreen_resolution(width, height): _lib.TCOD_sys_force_fullscreen_resolution(width, height) def sys_get_current_resolution(): w = c_int() h = c_int() _lib.TCOD_sys_get_current_resolution(byref(w), byref(h)) return w.value, h.value def sys_get_char_size(): w = c_int() h = c_int() _lib.TCOD_sys_get_char_size(byref(w), byref(h)) return w.value, h.value # update font bitmap def sys_update_char(asciiCode, fontx, fonty, img, x, y) : _lib.TCOD_sys_update_char(c_int(asciiCode),c_int(fontx),c_int(fonty),img,c_int(x),c_int(y)) # custom SDL post renderer SDL_RENDERER_FUNC = CFUNCTYPE(None, c_void_p) def sys_register_SDL_renderer(callback): global sdl_renderer_func sdl_renderer_func = SDL_RENDERER_FUNC(callback) _lib.TCOD_sys_register_SDL_renderer(sdl_renderer_func) # events EVENT_NONE=0 EVENT_KEY_PRESS=1 EVENT_KEY_RELEASE=2 EVENT_KEY=EVENT_KEY_PRESS|EVENT_KEY_RELEASE EVENT_MOUSE_MOVE=4 EVENT_MOUSE_PRESS=8 EVENT_MOUSE_RELEASE=16 EVENT_MOUSE=EVENT_MOUSE_MOVE|EVENT_MOUSE_PRESS|EVENT_MOUSE_RELEASE EVENT_ANY=EVENT_KEY|EVENT_MOUSE def sys_check_for_event(mask,k,m) : return _lib.TCOD_sys_check_for_event(c_int(mask),byref(k),byref(m)) def sys_wait_for_event(mask,k,m,flush) : return _lib.TCOD_sys_wait_for_event(c_int(mask),byref(k),byref(m),c_bool(flush)) ############################ # line module ############################ _lib.TCOD_line_step.restype = c_bool _lib.TCOD_line.restype=c_bool _lib.TCOD_line_step_mt.restype = c_bool def line_init(xo, yo, xd, yd): _lib.TCOD_line_init(xo, yo, xd, yd) def line_step(): x = c_int() y = c_int() ret = _lib.TCOD_line_step(byref(x), byref(y)) if not ret: return x.value, y.value return None,None def line(xo,yo,xd,yd,py_callback) : LINE_CBK_FUNC=CFUNCTYPE(c_bool,c_int,c_int) c_callback=LINE_CBK_FUNC(py_callback) return _lib.TCOD_line(xo,yo,xd,yd,c_callback) def line_iter(xo, yo, xd, yd): data = (c_int * 9)() # struct TCOD_bresenham_data_t _lib.TCOD_line_init_mt(xo, yo, xd, yd, data) x = c_int(xo) y = c_int(yo) done = False while not done: yield x.value, y.value done = _lib.TCOD_line_step_mt(byref(x), byref(y), data) ############################ # image module ############################ _lib.TCOD_image_is_pixel_transparent.restype = c_bool _lib.TCOD_image_get_pixel.restype = Color _lib.TCOD_image_get_mipmap_pixel.restype = Color def image_new(width, height): return _lib.TCOD_image_new(width, height) def image_clear(image,col) : _lib.TCOD_image_clear(image,col) def image_invert(image) : _lib.TCOD_image_invert(image) def image_hflip(image) : _lib.TCOD_image_hflip(image) def image_rotate90(image, num=1) : _lib.TCOD_image_rotate90(image,num) def image_vflip(image) : _lib.TCOD_image_vflip(image) def image_scale(image, neww, newh) : _lib.TCOD_image_scale(image,c_int(neww),c_int(newh)) def image_set_key_color(image,col) : _lib.TCOD_image_set_key_color(image,col) def image_get_alpha(image,x,y) : return _lib.TCOD_image_get_alpha(image,c_int(x),c_int(y)) def image_is_pixel_transparent(image,x,y) : return _lib.TCOD_image_is_pixel_transparent(image,c_int(x),c_int(y)) def image_load(filename): return _lib.TCOD_image_load(c_char_p(filename)) def image_from_console(console): return _lib.TCOD_image_from_console(console) def image_refresh_console(image, console): _lib.TCOD_image_refresh_console(image, console) def image_get_size(image): w=c_int() h=c_int() _lib.TCOD_image_get_size(image, byref(w), byref(h)) return w.value, h.value def image_get_pixel(image, x, y): return _lib.TCOD_image_get_pixel(image, x, y) def image_get_mipmap_pixel(image, x0, y0, x1, y1): return _lib.TCOD_image_get_mipmap_pixel(image, c_float(x0), c_float(y0), c_float(x1), c_float(y1)) def image_put_pixel(image, x, y, col): _lib.TCOD_image_put_pixel(image, x, y, col) ##_lib.TCOD_image_put_pixel_wrapper(image, x, y, col) def image_blit(image, console, x, y, bkgnd_flag, scalex, scaley, angle): _lib.TCOD_image_blit(image, console, c_float(x), c_float(y), bkgnd_flag, c_float(scalex), c_float(scaley), c_float(angle)) def image_blit_rect(image, console, x, y, w, h, bkgnd_flag): _lib.TCOD_image_blit_rect(image, console, x, y, w, h, bkgnd_flag) def image_blit_2x(image, console, dx, dy, sx=0, sy=0, w=-1, h=-1): _lib.TCOD_image_blit_2x(image, console, dx,dy,sx,sy,w,h) def image_save(image, filename): _lib.TCOD_image_save(image, c_char_p(filename)) def image_delete(image): _lib.TCOD_image_delete(image) ############################ # mouse module ############################ class Mouse(Structure): _fields_=[('x', c_int), ('y', c_int), ('dx', c_int), ('dy', c_int), ('cx', c_int), ('cy', c_int), ('dcx', c_int), ('dcy', c_int), ('lbutton', c_bool), ('rbutton', c_bool), ('mbutton', c_bool), ('lbutton_pressed', c_bool), ('rbutton_pressed', c_bool), ('mbutton_pressed', c_bool), ('wheel_up', c_bool), ('wheel_down', c_bool), ] _lib.TCOD_mouse_is_cursor_visible.restype = c_bool def mouse_show_cursor(visible): _lib.TCOD_mouse_show_cursor(c_int(visible)) def mouse_is_cursor_visible(): return _lib.TCOD_mouse_is_cursor_visible() def mouse_move(x, y): _lib.TCOD_mouse_move(x, y) def mouse_get_status(): mouse=Mouse() _lib.TCOD_mouse_get_status_wrapper(byref(mouse)) return mouse ############################ # parser module ############################ _lib.TCOD_struct_get_name.restype = c_char_p _lib.TCOD_struct_is_mandatory.restype = c_bool _lib.TCOD_parser_has_property.restype = c_bool _lib.TCOD_parser_get_bool_property.restype = c_bool _lib.TCOD_parser_get_float_property.restype = c_float _lib.TCOD_parser_get_string_property.restype = c_char_p _lib.TCOD_parser_get_color_property.restype = Color class Dice(Structure): _fields_=[('nb_dices', c_int), ('nb_faces', c_int), ('multiplier', c_float), ('addsub', c_float), ] def __repr__(self): return "Dice(%d, %d, %s, %s)" % (self.nb_dices, self.nb_faces, self.multiplier, self.addsub) class _CValue(Union): _fields_=[('c',c_uint8), ('i',c_int), ('f',c_float), ('s',c_char_p), # JBR03192012 See http://bugs.python.org/issue14354 for why these are not defined as their actual types ('col',c_uint8 * 3), ('dice',c_int * 4), ('custom',c_void_p), ] _CFUNC_NEW_STRUCT = CFUNCTYPE(c_uint, c_void_p, c_char_p) _CFUNC_NEW_FLAG = CFUNCTYPE(c_uint, c_char_p) _CFUNC_NEW_PROPERTY = CFUNCTYPE(c_uint, c_char_p, c_int, _CValue) class _CParserListener(Structure): _fields_=[('new_struct', _CFUNC_NEW_STRUCT), ('new_flag',_CFUNC_NEW_FLAG), ('new_property',_CFUNC_NEW_PROPERTY), ('end_struct',_CFUNC_NEW_STRUCT), ('error',_CFUNC_NEW_FLAG), ] # property types TYPE_NONE = 0 TYPE_BOOL = 1 TYPE_CHAR = 2 TYPE_INT = 3 TYPE_FLOAT = 4 TYPE_STRING = 5 TYPE_COLOR = 6 TYPE_DICE = 7 TYPE_VALUELIST00 = 8 TYPE_VALUELIST01 = 9 TYPE_VALUELIST02 = 10 TYPE_VALUELIST03 = 11 TYPE_VALUELIST04 = 12 TYPE_VALUELIST05 = 13 TYPE_VALUELIST06 = 14 TYPE_VALUELIST07 = 15 TYPE_VALUELIST08 = 16 TYPE_VALUELIST09 = 17 TYPE_VALUELIST10 = 18 TYPE_VALUELIST11 = 19 TYPE_VALUELIST12 = 20 TYPE_VALUELIST13 = 21 TYPE_VALUELIST14 = 22 TYPE_VALUELIST15 = 23 TYPE_LIST = 1024 def _convert_TCODList(clist, typ): res = list() for i in range(_lib.TCOD_list_size(clist)): elt = _lib.TCOD_list_get(clist, i) elt = cast(elt, c_void_p) if typ == TYPE_BOOL: elt = c_bool.from_buffer(elt).value elif typ == TYPE_CHAR: elt = c_char.from_buffer(elt).value elif typ == TYPE_INT: elt = c_int.from_buffer(elt).value elif typ == TYPE_FLOAT: elt = c_float.from_buffer(elt).value elif typ == TYPE_STRING or TYPE_VALUELIST15 >= typ >= TYPE_VALUELIST00: elt = cast(elt, c_char_p).value elif typ == TYPE_COLOR: elt = Color.from_buffer_copy(elt) elif typ == TYPE_DICE: # doesn't work elt = Dice.from_buffer_copy(elt) res.append(elt) return res def parser_new(): return _lib.TCOD_parser_new() def parser_new_struct(parser, name): return _lib.TCOD_parser_new_struct(parser, name) def struct_add_flag(struct, name): _lib.TCOD_struct_add_flag(struct, name) def struct_add_property(struct, name, typ, mandatory): _lib.TCOD_struct_add_property(struct, name, typ, c_bool(mandatory)) def struct_add_value_list(struct, name, value_list, mandatory): CARRAY = c_char_p * (len(value_list) + 1) cvalue_list = CARRAY() for i in range(len(value_list)): cvalue_list[i] = cast(value_list[i], c_char_p) cvalue_list[len(value_list)] = 0 _lib.TCOD_struct_add_value_list(struct, name, cvalue_list, c_bool(mandatory)) def struct_add_list_property(struct, name, typ, mandatory): _lib.TCOD_struct_add_list_property(struct, name, typ, c_bool(mandatory)) def struct_add_structure(struct, sub_struct): _lib.TCOD_struct_add_structure(struct, sub_struct) def struct_get_name(struct): return _lib.TCOD_struct_get_name(struct) def struct_is_mandatory(struct, name): return _lib.TCOD_struct_is_mandatory(struct, name) def struct_get_type(struct, name): return _lib.TCOD_struct_get_type(struct, name) def parser_run(parser, filename, listener=0): if listener != 0: clistener=_CParserListener() def value_converter(name, typ, value): if typ == TYPE_BOOL: return listener.new_property(name, typ, value.c == 1) elif typ == TYPE_CHAR: return listener.new_property(name, typ, '%c' % (value.c & 0xFF)) elif typ == TYPE_INT: return listener.new_property(name, typ, value.i) elif typ == TYPE_FLOAT: return listener.new_property(name, typ, value.f) elif typ == TYPE_STRING or \ TYPE_VALUELIST15 >= typ >= TYPE_VALUELIST00: return listener.new_property(name, typ, value.s) elif typ == TYPE_COLOR: col = cast(value.col, POINTER(Color)).contents return listener.new_property(name, typ, col) elif typ == TYPE_DICE: dice = cast(value.dice, POINTER(Dice)).contents return listener.new_property(name, typ, dice) elif typ & TYPE_LIST: return listener.new_property(name, typ, _convert_TCODList(value.custom, typ & 0xFF)) return True clistener.new_struct = _CFUNC_NEW_STRUCT(listener.new_struct) clistener.new_flag = _CFUNC_NEW_FLAG(listener.new_flag) clistener.new_property = _CFUNC_NEW_PROPERTY(value_converter) clistener.end_struct = _CFUNC_NEW_STRUCT(listener.end_struct) clistener.error = _CFUNC_NEW_FLAG(listener.error) _lib.TCOD_parser_run(parser, c_char_p(filename), byref(clistener)) else: _lib.TCOD_parser_run(parser, c_char_p(filename), 0) def parser_delete(parser): _lib.TCOD_parser_delete(parser) def parser_has_property(parser, name): return _lib.TCOD_parser_has_property(parser, c_char_p(name)) def parser_get_bool_property(parser, name): return _lib.TCOD_parser_get_bool_property(parser, c_char_p(name)) def parser_get_int_property(parser, name): return _lib.TCOD_parser_get_int_property(parser, c_char_p(name)) def parser_get_char_property(parser, name): return '%c' % _lib.TCOD_parser_get_char_property(parser, c_char_p(name)) def parser_get_float_property(parser, name): return _lib.TCOD_parser_get_float_property(parser, c_char_p(name)) def parser_get_string_property(parser, name): return _lib.TCOD_parser_get_string_property(parser, c_char_p(name)) def parser_get_color_property(parser, name): return _lib.TCOD_parser_get_color_property(parser, c_char_p(name)) def parser_get_dice_property(parser, name): d = Dice() _lib.TCOD_parser_get_dice_property_py(c_void_p(parser), c_char_p(name), byref(d)) return d def parser_get_list_property(parser, name, typ): clist = _lib.TCOD_parser_get_list_property(parser, c_char_p(name), c_int(typ)) return _convert_TCODList(clist, typ) ############################ # random module ############################ _lib.TCOD_random_get_float.restype = c_float _lib.TCOD_random_get_double.restype = c_double RNG_MT = 0 RNG_CMWC = 1 DISTRIBUTION_LINEAR = 0 DISTRIBUTION_GAUSSIAN = 1 DISTRIBUTION_GAUSSIAN_RANGE = 2 DISTRIBUTION_GAUSSIAN_INVERSE = 3 DISTRIBUTION_GAUSSIAN_RANGE_INVERSE = 4 def random_get_instance(): return _lib.TCOD_random_get_instance() def random_new(algo=RNG_CMWC): return _lib.TCOD_random_new(algo) def random_new_from_seed(seed, algo=RNG_CMWC): return _lib.TCOD_random_new_from_seed(algo,c_uint(seed)) def random_set_distribution(rnd, dist) : _lib.TCOD_random_set_distribution(rnd, dist) def random_get_int(rnd, mi, ma): return _lib.TCOD_random_get_int(rnd, mi, ma) def random_get_float(rnd, mi, ma): return _lib.TCOD_random_get_float(rnd, c_float(mi), c_float(ma)) def random_get_double(rnd, mi, ma): return _lib.TCOD_random_get_double(rnd, c_double(mi), c_double(ma)) def random_get_int_mean(rnd, mi, ma, mean): return _lib.TCOD_random_get_int_mean(rnd, mi, ma, mean) def random_get_float_mean(rnd, mi, ma, mean): return _lib.TCOD_random_get_float_mean(rnd, c_float(mi), c_float(ma), c_float(mean)) def random_get_double_mean(rnd, mi, ma, mean): return _lib.TCOD_random_get_double_mean(rnd, c_double(mi), c_double(ma), c_double(mean)) def random_save(rnd): return _lib.TCOD_random_save(rnd) def random_restore(rnd, backup): _lib.TCOD_random_restore(rnd, backup) def random_delete(rnd): _lib.TCOD_random_delete(rnd) ############################ # noise module ############################ _lib.TCOD_noise_get.restype = c_float _lib.TCOD_noise_get_ex.restype = c_float _lib.TCOD_noise_get_fbm.restype = c_float _lib.TCOD_noise_get_fbm_ex.restype = c_float _lib.TCOD_noise_get_turbulence.restype = c_float _lib.TCOD_noise_get_turbulence_ex.restype = c_float NOISE_DEFAULT_HURST = 0.5 NOISE_DEFAULT_LACUNARITY = 2.0 NOISE_DEFAULT = 0 NOISE_PERLIN = 1 NOISE_SIMPLEX = 2 NOISE_WAVELET = 4 _NOISE_PACKER_FUNC = (None, (c_float * 1), (c_float * 2), (c_float * 3), (c_float * 4), ) def noise_new(dim, h=NOISE_DEFAULT_HURST, l=NOISE_DEFAULT_LACUNARITY, random=0): return _lib.TCOD_noise_new(dim, c_float(h), c_float(l), random) def noise_set_type(n, typ) : _lib.TCOD_noise_set_type(n,typ) def noise_get(n, f, typ=NOISE_DEFAULT): return _lib.TCOD_noise_get_ex(n, _NOISE_PACKER_FUNC[len(f)](*f), typ) def noise_get_fbm(n, f, oc, typ=NOISE_DEFAULT): return _lib.TCOD_noise_get_fbm_ex(n, _NOISE_PACKER_FUNC[len(f)](*f), c_float(oc), typ) def noise_get_turbulence(n, f, oc, typ=NOISE_DEFAULT): return _lib.TCOD_noise_get_turbulence_ex(n, _NOISE_PACKER_FUNC[len(f)](*f), c_float(oc), typ) def noise_delete(n): _lib.TCOD_noise_delete(n) ############################ # fov module ############################ _lib.TCOD_map_is_in_fov.restype = c_bool _lib.TCOD_map_is_transparent.restype = c_bool _lib.TCOD_map_is_walkable.restype = c_bool FOV_BASIC = 0 FOV_DIAMOND = 1 FOV_SHADOW = 2 FOV_PERMISSIVE_0 = 3 FOV_PERMISSIVE_1 = 4 FOV_PERMISSIVE_2 = 5 FOV_PERMISSIVE_3 = 6 FOV_PERMISSIVE_4 = 7 FOV_PERMISSIVE_5 = 8 FOV_PERMISSIVE_6 = 9 FOV_PERMISSIVE_7 = 10 FOV_PERMISSIVE_8 = 11 FOV_RESTRICTIVE = 12 NB_FOV_ALGORITHMS = 13 def FOV_PERMISSIVE(p) : return FOV_PERMISSIVE_0+p def map_new(w, h): return _lib.TCOD_map_new(w, h) def map_copy(source, dest): return _lib.TCOD_map_copy(source, dest) def map_set_properties(m, x, y, isTrans, isWalk): _lib.TCOD_map_set_properties(m, x, y, c_int(isTrans), c_int(isWalk)) def map_clear(m,walkable=False,transparent=False): _lib.TCOD_map_clear(m,c_int(walkable),c_int(transparent)) def map_compute_fov(m, x, y, radius=0, light_walls=True, algo=FOV_RESTRICTIVE ): _lib.TCOD_map_compute_fov(m, x, y, c_int(radius), c_bool(light_walls), c_int(algo)) def map_is_in_fov(m, x, y): return _lib.TCOD_map_is_in_fov(m, x, y) def map_is_transparent(m, x, y): return _lib.TCOD_map_is_transparent(m, x, y) def map_is_walkable(m, x, y): return _lib.TCOD_map_is_walkable(m, x, y) def map_delete(m): return _lib.TCOD_map_delete(m) def map_get_width(map): return _lib.TCOD_map_get_width(map) def map_get_height(map): return _lib.TCOD_map_get_height(map) ############################ # pathfinding module ############################ _lib.TCOD_path_compute.restype = c_bool _lib.TCOD_path_is_empty.restype = c_bool _lib.TCOD_path_walk.restype = c_bool PATH_CBK_FUNC = CFUNCTYPE(c_float, c_int, c_int, c_int, c_int, py_object) def path_new_using_map(m, dcost=1.41): return (_lib.TCOD_path_new_using_map(c_void_p(m), c_float(dcost)), None) def path_new_using_function(w, h, func, userdata=0, dcost=1.41): cbk_func = PATH_CBK_FUNC(func) return (_lib.TCOD_path_new_using_function(w, h, cbk_func, py_object(userdata), c_float(dcost)), cbk_func) def path_compute(p, ox, oy, dx, dy): return _lib.TCOD_path_compute(p[0], ox, oy, dx, dy) def path_get_origin(p): x = c_int() y = c_int() _lib.TCOD_path_get_origin(p[0], byref(x), byref(y)) return x.value, y.value def path_get_destination(p): x = c_int() y = c_int() _lib.TCOD_path_get_destination(p[0], byref(x), byref(y)) return x.value, y.value def path_size(p): return _lib.TCOD_path_size(p[0]) def path_reverse(p): _lib.TCOD_path_reverse(p[0]) def path_get(p, idx): x = c_int() y = c_int() _lib.TCOD_path_get(p[0], idx, byref(x), byref(y)) return x.value, y.value def path_is_empty(p): return _lib.TCOD_path_is_empty(p[0]) def path_walk(p, recompute): x = c_int() y = c_int() if _lib.TCOD_path_walk(p[0], byref(x), byref(y), c_int(recompute)): return x.value, y.value return None,None def path_delete(p): _lib.TCOD_path_delete(p[0]) _lib.TCOD_dijkstra_path_set.restype = c_bool _lib.TCOD_dijkstra_is_empty.restype = c_bool _lib.TCOD_dijkstra_path_walk.restype = c_bool _lib.TCOD_dijkstra_get_distance.restype = c_float def dijkstra_new(m, dcost=1.41): return (_lib.TCOD_dijkstra_new(c_void_p(m), c_float(dcost)), None) def dijkstra_new_using_function(w, h, func, userdata=0, dcost=1.41): cbk_func = PATH_CBK_FUNC(func) return (_lib.TCOD_path_dijkstra_using_function(w, h, cbk_func, py_object(userdata), c_float(dcost)), cbk_func) def dijkstra_compute(p, ox, oy): _lib.TCOD_dijkstra_compute(p[0], c_int(ox), c_int(oy)) def dijkstra_path_set(p, x, y): return _lib.TCOD_dijkstra_path_set(p[0], c_int(x), c_int(y)) def dijkstra_get_distance(p, x, y): return _lib.TCOD_dijkstra_get_distance(p[0], c_int(x), c_int(y)) def dijkstra_size(p): return _lib.TCOD_dijkstra_size(p[0]) def dijkstra_reverse(p): _lib.TCOD_dijkstra_reverse(p[0]) def dijkstra_get(p, idx): x = c_int() y = c_int() _lib.TCOD_dijkstra_get(p[0], c_int(idx), byref(x), byref(y)) return x.value, y.value def dijkstra_is_empty(p): return _lib.TCOD_dijkstra_is_empty(p[0]) def dijkstra_path_walk(p): x = c_int() y = c_int() if _lib.TCOD_dijkstra_path_walk(p[0], byref(x), byref(y)): return x.value, y.value return None,None def dijkstra_delete(p): _lib.TCOD_dijkstra_delete(p[0]) ############################ # bsp module ############################ class _CBsp(Structure): _fields_ = [('next', c_void_p), ('father', c_void_p), ('son', c_void_p), ('x', c_int), ('y', c_int), ('w', c_int), ('h', c_int), ('position', c_int), ('level', c_uint8), ('horizontal', c_bool), ] _lib.TCOD_bsp_new_with_size.restype = POINTER(_CBsp) _lib.TCOD_bsp_left.restype = POINTER(_CBsp) _lib.TCOD_bsp_right.restype = POINTER(_CBsp) _lib.TCOD_bsp_father.restype = POINTER(_CBsp) _lib.TCOD_bsp_is_leaf.restype = c_bool _lib.TCOD_bsp_contains.restype = c_bool _lib.TCOD_bsp_find_node.restype = POINTER(_CBsp) BSP_CBK_FUNC = CFUNCTYPE(c_int, c_void_p, c_void_p) # python class encapsulating the _CBsp pointer class Bsp(object): def __init__(self, cnode): pcbsp = cast(cnode, POINTER(_CBsp)) self.p = pcbsp def getx(self): return self.p.contents.x def setx(self, value): self.p.contents.x = value x = property(getx, setx) def gety(self): return self.p.contents.y def sety(self, value): self.p.contents.y = value y = property(gety, sety) def getw(self): return self.p.contents.w def setw(self, value): self.p.contents.w = value w = property(getw, setw) def geth(self): return self.p.contents.h def seth(self, value): self.p.contents.h = value h = property(geth, seth) def getpos(self): return self.p.contents.position def setpos(self, value): self.p.contents.position = value position = property(getpos, setpos) def gethor(self): return self.p.contents.horizontal def sethor(self,value): self.p.contents.horizontal = value horizontal = property(gethor, sethor) def getlev(self): return self.p.contents.level def setlev(self,value): self.p.contents.level = value level = property(getlev, setlev) def bsp_new_with_size(x, y, w, h): return Bsp(_lib.TCOD_bsp_new_with_size(x, y, w, h)) def bsp_split_once(node, horizontal, position): _lib.TCOD_bsp_split_once(node.p, c_int(horizontal), position) def bsp_split_recursive(node, randomizer, nb, minHSize, minVSize, maxHRatio, maxVRatio): _lib.TCOD_bsp_split_recursive(node.p, randomizer, nb, minHSize, minVSize, c_float(maxHRatio), c_float(maxVRatio)) def bsp_resize(node, x, y, w, h): _lib.TCOD_bsp_resize(node.p, x, y, w, h) def bsp_left(node): return Bsp(_lib.TCOD_bsp_left(node.p)) def bsp_right(node): return Bsp(_lib.TCOD_bsp_right(node.p)) def bsp_father(node): return Bsp(_lib.TCOD_bsp_father(node.p)) def bsp_is_leaf(node): return _lib.TCOD_bsp_is_leaf(node.p) def bsp_contains(node, cx, cy): return _lib.TCOD_bsp_contains(node.p, cx, cy) def bsp_find_node(node, cx, cy): return Bsp(_lib.TCOD_bsp_find_node(node.p, cx, cy)) def _bsp_traverse(node, callback, userData, func): # convert the c node into a python node #before passing it to the actual callback def node_converter(cnode, data): node = Bsp(cnode) return callback(node, data) cbk_func = BSP_CBK_FUNC(node_converter) func(node.p, cbk_func, userData) def bsp_traverse_pre_order(node, callback, userData=0): _bsp_traverse(node, callback, userData, _lib.TCOD_bsp_traverse_pre_order) def bsp_traverse_in_order(node, callback, userData=0): _bsp_traverse(node, callback, userData, _lib.TCOD_bsp_traverse_in_order) def bsp_traverse_post_order(node, callback, userData=0): _bsp_traverse(node, callback, userData, _lib.TCOD_bsp_traverse_post_order) def bsp_traverse_level_order(node, callback, userData=0): _bsp_traverse(node, callback, userData, _lib.TCOD_bsp_traverse_level_order) def bsp_traverse_inverted_level_order(node, callback, userData=0): _bsp_traverse(node, callback, userData, _lib.TCOD_bsp_traverse_inverted_level_order) def bsp_remove_sons(node): _lib.TCOD_bsp_remove_sons(node.p) def bsp_delete(node): _lib.TCOD_bsp_delete(node.p) ############################ # heightmap module ############################ class _CHeightMap(Structure): _fields_=[('w', c_int), ('h', c_int), ('values', POINTER(c_float)), ] _lib.TCOD_heightmap_new.restype = POINTER(_CHeightMap) _lib.TCOD_heightmap_get_value.restype = c_float _lib.TCOD_heightmap_has_land_on_border.restype = c_bool class HeightMap(object): def __init__(self, chm): pchm = cast(chm, POINTER(_CHeightMap)) self.p = pchm def getw(self): return self.p.contents.w def setw(self, value): self.p.contents.w = value w = property(getw, setw) def geth(self): return self.p.contents.h def seth(self, value): self.p.contents.h = value h = property(geth, seth) def heightmap_new(w, h): phm = _lib.TCOD_heightmap_new(w, h) return HeightMap(phm) def heightmap_set_value(hm, x, y, value): _lib.TCOD_heightmap_set_value(hm.p, x, y, c_float(value)) def heightmap_add(hm, value): _lib.TCOD_heightmap_add(hm.p, c_float(value)) def heightmap_scale(hm, value): _lib.TCOD_heightmap_scale(hm.p, c_float(value)) def heightmap_clear(hm): _lib.TCOD_heightmap_clear(hm.p) def heightmap_clamp(hm, mi, ma): _lib.TCOD_heightmap_clamp(hm.p, c_float(mi),c_float(ma)) def heightmap_copy(hm1, hm2): _lib.TCOD_heightmap_copy(hm1.p, hm2.p) def heightmap_normalize(hm, mi=0.0, ma=1.0): _lib.TCOD_heightmap_normalize(hm.p, c_float(mi), c_float(ma)) def heightmap_lerp_hm(hm1, hm2, hm3, coef): _lib.TCOD_heightmap_lerp_hm(hm1.p, hm2.p, hm3.p, c_float(coef)) def heightmap_add_hm(hm1, hm2, hm3): _lib.TCOD_heightmap_add_hm(hm1.p, hm2.p, hm3.p) def heightmap_multiply_hm(hm1, hm2, hm3): _lib.TCOD_heightmap_multiply_hm(hm1.p, hm2.p, hm3.p) def heightmap_add_hill(hm, x, y, radius, height): _lib.TCOD_heightmap_add_hill(hm.p, c_float( x), c_float( y), c_float( radius), c_float( height)) def heightmap_dig_hill(hm, x, y, radius, height): _lib.TCOD_heightmap_dig_hill(hm.p, c_float( x), c_float( y), c_float( radius), c_float( height)) def heightmap_mid_point_displacement(hm, rng, roughness): _lib.TCOD_heightmap_mid_point_displacement(hm.p, rng, c_float(roughness)) def heightmap_rain_erosion(hm, nbDrops, erosionCoef, sedimentationCoef, rnd=0): _lib.TCOD_heightmap_rain_erosion(hm.p, nbDrops, c_float( erosionCoef), c_float( sedimentationCoef), rnd) def heightmap_kernel_transform(hm, kernelsize, dx, dy, weight, minLevel, maxLevel): FARRAY = c_float * kernelsize IARRAY = c_int * kernelsize cdx = IARRAY(*dx) cdy = IARRAY(*dy) cweight = FARRAY(*weight) _lib.TCOD_heightmap_kernel_transform(hm.p, kernelsize, cdx, cdy, cweight, c_float(minLevel), c_float(maxLevel)) def heightmap_add_voronoi(hm, nbPoints, nbCoef, coef, rnd=0): FARRAY = c_float * nbCoef ccoef = FARRAY(*coef) _lib.TCOD_heightmap_add_voronoi(hm.p, nbPoints, nbCoef, ccoef, rnd) def heightmap_add_fbm(hm, noise, mulx, muly, addx, addy, octaves, delta, scale): _lib.TCOD_heightmap_add_fbm(hm.p, noise, c_float(mulx), c_float(muly), c_float(addx), c_float(addy), c_float(octaves), c_float(delta), c_float(scale)) def heightmap_scale_fbm(hm, noise, mulx, muly, addx, addy, octaves, delta, scale): _lib.TCOD_heightmap_scale_fbm(hm.p, noise, c_float(mulx), c_float(muly), c_float(addx), c_float(addy), c_float(octaves), c_float(delta), c_float(scale)) def heightmap_dig_bezier(hm, px, py, startRadius, startDepth, endRadius, endDepth): IARRAY = c_int * 4 cpx = IARRAY(*px) cpy = IARRAY(*py) _lib.TCOD_heightmap_dig_bezier(hm.p, cpx, cpy, c_float(startRadius), c_float(startDepth), c_float(endRadius), c_float(endDepth)) def heightmap_get_value(hm, x, y): return _lib.TCOD_heightmap_get_value(hm.p, x, y) def heightmap_get_interpolated_value(hm, x, y): return _lib.TCOD_heightmap_get_interpolated_value(hm.p, c_float(x), c_float(y)) def heightmap_get_slope(hm, x, y): return _lib.TCOD_heightmap_get_slope(hm.p, x, y) def heightmap_get_normal(hm, x, y, waterLevel): FARRAY = c_float * 3 cn = FARRAY() _lib.TCOD_heightmap_get_normal(hm.p, c_float(x), c_float(y), cn, c_float(waterLevel)) return cn[0], cn[1], cn[2] def heightmap_count_cells(hm, mi, ma): return _lib.TCOD_heightmap_count_cells(hm.p, c_float(mi), c_float(ma)) def heightmap_has_land_on_border(hm, waterlevel): return _lib.TCOD_heightmap_has_land_on_border(hm.p, c_float(waterlevel)) def heightmap_get_minmax(hm): mi = c_float() ma = c_float() _lib.TCOD_heightmap_get_minmax(hm.p, byref(mi), byref(ma)) return mi.value, ma.value def heightmap_delete(hm): _lib.TCOD_heightmap_delete(hm.p) ############################ # name generator module ############################ _lib.TCOD_namegen_generate.restype = c_char_p _lib.TCOD_namegen_generate_custom.restype = c_char_p def namegen_parse(filename,random=0) : _lib.TCOD_namegen_parse(filename,random) def namegen_generate(name) : return _lib.TCOD_namegen_generate(name, 0) def namegen_generate_custom(name, rule) : return _lib.TCOD_namegen_generate(name, rule, 0) def namegen_get_sets(): nb=_lib.TCOD_namegen_get_nb_sets_wrapper() SARRAY = c_char_p * nb; setsa = SARRAY() _lib.TCOD_namegen_get_sets_wrapper(setsa) return list(setsa) def namegen_destroy() : _lib.TCOD_namegen_destroy()
v4nz666/MineClimbeR-L-
RoguePy/libtcod/libtcodpy.py
Python
mit
61,359
[ "Amber" ]
bbaf11ee6415761d7ec0a707a08f99db2489c6f1a241f274191236c21c70a6bc
import copy import numpy as np import pytest import qcelemental as qcel from qcelemental.testing import compare, compare_recursive, compare_values, tnm import qcengine as qcng from qcengine.programs import empirical_dispersion_resources from qcengine.testing import is_program_new_enough, using from .addons import using from qcengine.programs.tests import test_dftd3_mp2d ref, gref = test_dftd3_mp2d.ref, test_dftd3_mp2d.gref pytestmark = [pytest.mark.quick] @using("dftd3") @pytest.mark.parametrize("method", [ "b3lyp-d3", "b3lyp-d3m", "b3lyp-d3bj", "b3lyp-d3mbj", ]) def test_dftd3_task(method): json_data = {"molecule": qcng.get_molecule("eneyne"), "driver": "energy", "model": {"method": method}} ret = qcng.compute(json_data, "dftd3", raise_error=True, return_dict=True) assert ret["driver"] == "energy" assert "provenance" in ret assert "normal termination of dftd3" in ret["stdout"] for key in ["cpu", "hostname", "username", "wall_time"]: assert key in ret["provenance"] assert ret["success"] is True seneyne = """ C 0.000000 -0.667578 -2.124659 C 0.000000 0.667578 -2.124659 H 0.923621 -1.232253 -2.126185 H -0.923621 -1.232253 -2.126185 H -0.923621 1.232253 -2.126185 H 0.923621 1.232253 -2.126185 -- C 0.000000 0.000000 2.900503 C 0.000000 0.000000 1.693240 H 0.000000 0.000000 0.627352 H 0.000000 0.000000 3.963929 """ sne = """ Ne 0 0 0 """ def eneyne_ne_qcdbmols(): if not is_program_new_enough("psi4", "1.4a1.dev55"): pytest.skip("Psi4 requires at least Psi4 v1.3rc2") from psi4.driver import qcdb eneyne = qcdb.Molecule(seneyne) ne = qcdb.Molecule(sne) mols = { 'eneyne': { 'dimer': eneyne, 'mA': eneyne.extract_subsets(1), 'mB': eneyne.extract_subsets(2), 'mAgB': eneyne.extract_subsets(1, 2), 'gAmB': eneyne.extract_subsets(2, 1), }, 'ne': { 'atom': ne, } } return mols def eneyne_ne_psi4mols(): if not is_program_new_enough("psi4", "1.4a1.dev55"): pytest.skip("Psi4 requires at least Psi4 v1.3rc2") import psi4 eneyne = psi4.core.Molecule.from_string(seneyne) ne = psi4.core.Molecule.from_string(sne) mols = { 'eneyne': { 'dimer': eneyne, 'mA': eneyne.extract_subsets(1), 'mB': eneyne.extract_subsets(2), 'mAgB': eneyne.extract_subsets(1, 2), 'gAmB': eneyne.extract_subsets(2, 1), }, 'ne': { 'atom': ne, } } return mols def eneyne_ne_qcschemamols(): eneyne = qcel.molparse.to_schema(qcel.molparse.from_string(seneyne)['qm'], dtype=2) mA = qcel.molparse.to_schema(qcel.molparse.from_string('\n'.join(seneyne.splitlines()[:7]))['qm'], dtype=2) mB = qcel.molparse.to_schema(qcel.molparse.from_string('\n'.join(seneyne.splitlines()[-4:]))['qm'], dtype=2) ne = qcel.molparse.to_schema(qcel.molparse.from_string(sne)['qm'], dtype=2) mAgB = qcel.molparse.from_string(seneyne)['qm'] mAgB['real'] = [(iat < mAgB['fragment_separators'][0]) for iat in range(len(mAgB['elem']))] # works b/c chgmult doesn't need refiguring mAgB = qcel.molparse.to_schema(mAgB, dtype=2) gAmB = qcel.molparse.from_string(seneyne)['qm'] gAmB['real'] = [(iat >= gAmB['fragment_separators'][0]) for iat in range(len(gAmB['elem']))] gAmB = qcel.molparse.to_schema(gAmB, dtype=2) mols = { 'eneyne': { 'dimer': eneyne, 'mA': mA, 'mB': mB, 'mAgB': mAgB, 'gAmB': gAmB, }, 'ne': { 'atom': ne, } } return mols db3lypd3bj = { 'dashlevel': 'd3bj', 'dashparams': { 's8': 1.9889, 's6': 1.0, 'a2': 4.4211, 'a1': 0.3981 }, 'dashparams_citation': '', 'fctldash': 'b3lyp-d3(bj)' } db3lypd3bjcustom = copy.deepcopy(db3lypd3bj) db3lypd3bjcustom['fctldash'] = '' db3lypd3bjcustom['dashparams']['a2'] = 5.4211 dpbed3zero = { 'dashlevel': 'd3zero', 'dashparams': { 's6': 1.0, 's8': 0.722, 'sr6': 1.217, 'sr8': 1.0, 'alpha6': 14.0 }, 'dashparams_citation': '', 'fctldash': 'pbe-d3' } atmgr = { 'dashlevel': 'atmgr', 'dashparams': { 'alpha6': 14.0, }, 'dashparams_citation': '', 'fctldash': 'atm(gr)', } chg = { 'dashlevel': 'chg', 'dashparams': { 's6': 1.0, }, 'dashparams_citation': '', 'fctldash': 'chg', } dmp2dmp2 = { 'dashlevel': 'dmp2', 'dashparams': { 's8': 1.187, 'a1': 0.944, 'a2': 0.480, 'rcut': 0.72, 'w': 0.20, }, 'dashparams_citation': '', 'fctldash': 'mp2-dmp2' } def _compute_key(pjrec): return pjrec['fctldash'].upper() ## Tests @pytest.mark.parametrize("inp,expected", [ (({'name_hint': 'b3lyp', 'level_hint': 'd3bj'}, 'B3LYP-D3(BJ)'), db3lypd3bj), (({'name_hint': 'b3LYP', 'level_hint': 'D3bj'}, 'B3LYP-D3(BJ)'), db3lypd3bj), (({'param_tweaks': {'s8': 1.9889, 's6': 1.0, 'a2': 4.4211, 'a1': 0.3981}, 'level_hint': 'd3bj'}, 'B3LYP-D3(BJ)'), db3lypd3bj), (({'name_hint': 'b3lyp', 'level_hint': 'd3bJ', 'param_tweaks': {'a2': 4.4211}}, 'B3LYP-D3(BJ)'), db3lypd3bj), (({'verbose': 3, 'name_hint': 'b3lyp', 'level_hint': 'd3bJ', 'param_tweaks': {'a2': 5.4211}}, ''), db3lypd3bjcustom), (({'name_hint': 'b3lyp-d3bj', 'param_tweaks': {'a2': 4.4211}}, 'B3LYP-D3(BJ)'), db3lypd3bj), (({'name_hint': 'pbe', 'level_hint': 'd3zero'}, 'PBE-D3'), dpbed3zero), (({'name_hint': 'pbe', 'level_hint': 'd3'}, 'PBE-D3'), dpbed3zero), (({'name_hint': 'pbe-d3'}, 'PBE-D3'), dpbed3zero), (({'name_hint': 'atm(gr)', 'level_hint': 'atmgr'}, 'ATM(GR)'), atmgr), (({'name_hint': 'atmgr'}, 'ATM(GR)'), atmgr), (({'name_hint': 'bp86-atmgr'}, 'ATM(GR)'), atmgr), (({'name_hint': 'asdf-chg'}, 'CHG'), chg), (({'name_hint': 'mp2-dmp2'}, 'MP2-DMP2'), dmp2dmp2), (({'name_hint': 'MP2', 'level_hint': 'dmp2'}, 'MP2-DMP2'), dmp2dmp2), ]) # yapf: disable def test_dftd3__from_arrays(inp, expected): res = empirical_dispersion_resources.from_arrays(**inp[0]) assert compare_recursive(expected, res, atol=1.e-4) assert compare(inp[1], _compute_key(res), 'key') res = empirical_dispersion_resources.from_arrays(name_hint=res['fctldash'], level_hint=res['dashlevel'], param_tweaks=res['dashparams']) assert compare_recursive(expected, res, tnm() + ' idempotent', atol=1.e-4) @pytest.mark.parametrize("inp", [ ({'name_hint': 'b3lyp', 'level_hint': 'd3bJ', 'param_tweaks': {'a3': 5.4211}}), ({'name_hint': 'fakeb3lyp', 'level_hint': 'd3bJ', 'param_tweaks': {'s6': 5.4211}}), ({'level_hint': 'd3bJ', 'param_tweaks': {'s6': 5.4211}}), ({'name_hint': 'b3lyp-d3bj', 'param_tweaks': {'a2': 4.4211, 'zzz': 0.0}}), ({'name_hint': 'asdf-d4'}), ({'name_hint': 'atm(gr)', 'level_hint': 'chg'}), ]) # yapf:disable def test_dftd3__from_arrays__error(inp): with pytest.raises(qcng.exceptions.InputError): empirical_dispersion_resources.from_arrays(**inp) def test_dftd3__from_arrays__supplement(): ans = { 'dashlevel': 'chg', 'dashparams': { 's6': 4.05 }, 'fctldash': 'asdf-d4', 'dashparams_citation': ' mypaper\n' } supp = {'chg': {'definitions': {'asdf-d4': {'params': {'s6': 4.05}, 'citation': ' mypaper\n'}}}} res = empirical_dispersion_resources.from_arrays(name_hint='asdf-d4', level_hint='chg', dashcoeff_supplement=supp) assert compare_recursive(ans, res, atol=1.e-4) with pytest.raises(qcng.exceptions.InputError) as e: empirical_dispersion_resources.from_arrays(name_hint=res['fctldash'], level_hint=res['dashlevel'], param_tweaks=res['dashparams']) assert "Can't guess -D correction level" in str(e.value) res = empirical_dispersion_resources.from_arrays( name_hint=res['fctldash'], level_hint=res['dashlevel'], param_tweaks=res['dashparams'], dashcoeff_supplement=supp) assert compare_recursive(ans, res, tnm() + ' idempotent', atol=1.e-4) @using("dftd3") def test_3(): sys = qcel.molparse.from_string(seneyne)['qm'] resinp = { 'schema_name': 'qcschema_input', 'schema_version': 1, 'molecule': qcel.molparse.to_schema(sys, dtype=2), 'driver': 'energy', 'model': { 'method': 'b3lyp', }, 'keywords': { 'level_hint': 'd3bj' }, } res = qcng.compute(resinp, 'dftd3', raise_error=True) res = res.dict() #res = dftd3.run_dftd3_from_arrays(molrec=sys, name_hint='b3lyp', level_hint='d3bj') assert compare('B3LYP-D3(BJ)', _compute_key(res['extras']['local_keywords']), 'key') @using("dftd3") @pytest.mark.parametrize( "subjects", [ pytest.param(eneyne_ne_psi4mols, marks=using("psi4")), pytest.param(eneyne_ne_qcdbmols, marks=using("psi4")), # needs qcdb.Molecule, presently more common in psi4 than in qcdb ], ids=['qmol', 'pmol']) @pytest.mark.parametrize( "inp", [ ({'first': 'b3lyp', 'second': 'd', 'parent': 'eneyne', 'subject': 'dimer', 'lbl': 'B3LYP-D2'}), ({'first': 'b3lyp', 'second': 'd3bj', 'parent': 'eneyne', 'subject': 'mA', 'lbl': 'B3LYP-D3(BJ)'}), ({'first': 'pbe', 'second': 'd3zero', 'parent': 'eneyne', 'subject': 'mB', 'lbl': 'PBE-D3'}), ({'first': 'pbe', 'second': 'd3zero', 'parent': 'eneyne', 'subject': 'gAmB', 'lbl': 'PBE-D3'}), ({'first': 'pbe', 'second': 'd2', 'parent': 'eneyne', 'subject': 'mAgB', 'lbl': 'PBE-D2'}), ({'first': 'b3lyp', 'second': 'd3bj', 'parent': 'ne', 'subject': 'atom', 'lbl': 'B3LYP-D3(BJ)'}), #({'first': '', 'second': 'atmgr', 'parent': 'eneyne', 'subject': 'dimer', 'lbl': 'ATM'}), #({'first': 'b3lyp', 'second': 'atmgr', 'parent': 'eneyne', 'subject': 'mA', 'lbl': 'ATM'}), #({'first': 'pbe', 'second': 'atm(gr)', 'parent': 'eneyne', 'subject': 'mB', 'lbl': 'ATM'}), #({'first': '', 'second': 'ATMgr', 'parent': 'eneyne', 'subject': 'mAgB', 'lbl': 'ATM'}), # below two xfail until dftd3 that's only 2-body is out of psi4 proper pytest.param({'first': 'atmgr', 'second': 'atmgr', 'parent': 'eneyne', 'subject': 'gAmB', 'lbl': 'ATM'}, marks=[using("dftd3_321"), pytest.mark.xfail]), pytest.param({'first': 'pbe-atmgr', 'second': None, 'parent': 'ne', 'subject': 'atom', 'lbl': 'ATM'}, marks=[using("dftd3_321"), pytest.mark.xfail]), ]) # yapf: disable def test_molecule__run_dftd3__23body(inp, subjects): subject = subjects()[inp['parent']][inp['subject']] expected = ref[inp['parent']][inp['lbl']][inp['subject']] gexpected = gref[inp['parent']][inp['lbl']][inp['subject']] E, G = subject.run_dftd3(inp['first'], inp['second']) assert compare_values(expected, E, atol=1.e-7) assert compare_values(gexpected, G, atol=1.e-7) @using("qcdb") def test_qcdb__energy_d3(): eneyne = qcdb.set_molecule(seneyne) eneyne.update_geometry() E, jrec = qcdb.energy('d3-b3lyp-d2', return_wfn=True) assert compare_values(ref['eneyne']['B3LYP-D2']['dimer'], E, 7, 'P: Ethene-Ethyne -D2') assert compare_values(ref['eneyne']['B3LYP-D2']['dimer'], jrec['qcvars']['DISPERSION CORRECTION ENERGY'].data, 7, tnm()) assert compare_values(ref['eneyne']['B3LYP-D2']['dimer'], jrec['qcvars']['B3LYP-D2 DISPERSION CORRECTION ENERGY'].data, 7, tnm()) mA = eneyne.extract_subsets(1) E, jrec = qcdb.energy('d3-b3lyp-d3bj', return_wfn=True, molecule=mA) assert compare_values(ref['eneyne']['B3LYP-D3(BJ)']['mA'], E, 7, tnm()) assert compare_values(ref['eneyne']['B3LYP-D3(BJ)']['mA'], jrec['qcvars']['DISPERSION CORRECTION ENERGY'].data, 7, tnm()) assert compare_values(ref['eneyne']['B3LYP-D3(BJ)']['mA'], jrec['qcvars']['B3LYP-D3(BJ) DISPERSION CORRECTION ENERGY'].data, 7, tnm()) @using("mp2d") @pytest.mark.parametrize( "subjects", [ pytest.param(eneyne_ne_psi4mols, marks=using("psi4")), pytest.param(eneyne_ne_qcdbmols, marks=using("psi4")), # needs qcdb.Molecule, presently more common in psi4 than in qcdb pytest.param(eneyne_ne_qcschemamols), ], ids=['qmol', 'pmol', 'qcmol']) @pytest.mark.parametrize("inp", [ ({'parent': 'eneyne', 'name': 'mp2d-mp2-dmp2', 'subject': 'dimer', 'lbl': 'MP2-DMP2'}), ({'parent': 'eneyne', 'name': 'mp2d-mp2-dmp2', 'subject': 'mA', 'lbl': 'MP2-DMP2'}), ({'parent': 'eneyne', 'name': 'mp2d-mp2-dmp2', 'subject': 'mB', 'lbl': 'MP2-DMP2'}), ({'parent': 'eneyne', 'name': 'mp2d-mp2-dmp2', 'subject': 'gAmB', 'lbl': 'MP2-DMP2'}), ({'parent': 'eneyne', 'name': 'mp2d-mp2-dmp2', 'subject': 'mAgB', 'lbl': 'MP2-DMP2'}), ({'parent': 'ne', 'name': 'mp2d-mp2-dmp2', 'subject': 'atom', 'lbl': 'MP2-DMP2'}), ]) # yapf: disable def test_mp2d__run_mp2d__2body(inp, subjects, request): subject = subjects()[inp['parent']][inp['subject']] expected = ref[inp['parent']][inp['lbl']][inp['subject']] gexpected = gref[inp['parent']][inp['lbl']][inp['subject']].ravel() if 'qcmol' in request.node.name: mol = subject else: mol = subject.to_schema(dtype=2) resinp = { 'schema_name': 'qcschema_input', 'schema_version': 1, 'molecule': mol, 'driver': 'gradient', 'model': { 'method': inp['name'] }, 'keywords': {}, } jrec = qcng.compute(resinp, 'mp2d', raise_error=True) jrec = jrec.dict() #assert len(jrec['extras']['qcvars']) == 8 assert compare_values(expected, jrec['extras']['qcvars']['CURRENT ENERGY'], atol=1.e-7) assert compare_values(expected, jrec['extras']['qcvars']['DISPERSION CORRECTION ENERGY'], atol=1.e-7) assert compare_values(expected, jrec['extras']['qcvars'][inp['lbl'] + ' DISPERSION CORRECTION ENERGY'], atol=1.e-7) assert compare_values(gexpected, jrec['extras']['qcvars']['CURRENT GRADIENT'], atol=1.e-7) assert compare_values(gexpected, jrec['extras']['qcvars']['DISPERSION CORRECTION GRADIENT'], atol=1.e-7) assert compare_values( gexpected, jrec['extras']['qcvars'][inp['lbl'] + ' DISPERSION CORRECTION GRADIENT'], atol=1.e-7) @using("dftd3") @pytest.mark.parametrize( "subjects", [ pytest.param(eneyne_ne_psi4mols, marks=using("psi4")), pytest.param(eneyne_ne_qcdbmols, marks=using("psi4")), # needs qcdb.Molecule, presently more common in psi4 than in qcdb pytest.param(eneyne_ne_qcschemamols), ], ids=['qmol', 'pmol', 'qcmol']) @pytest.mark.parametrize("inp", [ ({'parent': 'eneyne', 'name': 'd3-b3lyp-d', 'subject': 'dimer', 'lbl': 'B3LYP-D2'}), ({'parent': 'eneyne', 'name': 'd3-b3lyp-d3bj', 'subject': 'mA', 'lbl': 'B3LYP-D3(BJ)'}), ({'parent': 'eneyne', 'name': 'd3-PBE-D3zero', 'subject': 'mB', 'lbl': 'PBE-D3'}), ({'parent': 'eneyne', 'name': 'd3-PBE-D3zero', 'subject': 'gAmB', 'lbl': 'PBE-D3'}), ({'parent': 'eneyne', 'name': 'd3-PBE-D2', 'subject': 'mAgB', 'lbl': 'PBE-D2'}), ({'parent': 'ne', 'name': 'd3-b3lyp-d3bj', 'subject': 'atom', 'lbl': 'B3LYP-D3(BJ)'}), ]) # yapf: disable def test_dftd3__run_dftd3__2body(inp, subjects, request): subject = subjects()[inp['parent']][inp['subject']] expected = ref[inp['parent']][inp['lbl']][inp['subject']] gexpected = gref[inp['parent']][inp['lbl']][inp['subject']].ravel() if 'qcmol' in request.node.name: mol = subject else: mol = subject.to_schema(dtype=2) resinp = { 'schema_name': 'qcschema_input', 'schema_version': 1, 'molecule': mol, 'driver': 'gradient', 'model': { 'method': inp['name'] }, 'keywords': {}, } jrec = qcng.compute(resinp, 'dftd3', raise_error=True) jrec = jrec.dict() assert len(jrec['extras']['qcvars']) == 8 assert compare_values(expected, jrec['extras']['qcvars']['CURRENT ENERGY'], atol=1.e-7) assert compare_values(expected, jrec['extras']['qcvars']['DISPERSION CORRECTION ENERGY'], atol=1.e-7) assert compare_values(expected, jrec['extras']['qcvars']['2-BODY DISPERSION CORRECTION ENERGY'], atol=1.e-7) assert compare_values(expected, jrec['extras']['qcvars'][inp['lbl'] + ' DISPERSION CORRECTION ENERGY'], atol=1.e-7) assert compare_values(gexpected, jrec['extras']['qcvars']['CURRENT GRADIENT'], atol=1.e-7) assert compare_values(gexpected, jrec['extras']['qcvars']['DISPERSION CORRECTION GRADIENT'], atol=1.e-7) assert compare_values(gexpected, jrec['extras']['qcvars']['2-BODY DISPERSION CORRECTION GRADIENT'], atol=1.e-7) assert compare_values( gexpected, jrec['extras']['qcvars'][inp['lbl'] + ' DISPERSION CORRECTION GRADIENT'], atol=1.e-7) @using("dftd3_321") @pytest.mark.parametrize( "subjects", [ pytest.param(eneyne_ne_psi4mols, marks=using("psi4")), pytest.param(eneyne_ne_qcdbmols, marks=using("psi4")), # needs qcdb.Molecule, presently more common in psi4 than in qcdb pytest.param(eneyne_ne_qcschemamols), ], ids=['qmol', 'pmol', 'qcmol']) @pytest.mark.parametrize("inp", [ ({'parent': 'eneyne', 'name': 'd3-atmgr', 'subject': 'dimer', 'lbl': 'ATM'}), ({'parent': 'eneyne', 'name': 'd3-b3lyp-atmgr', 'subject': 'mA', 'lbl': 'ATM'}), ({'parent': 'eneyne', 'name': 'd3-pbe-atm(gr)', 'subject': 'mB', 'lbl': 'ATM'}), ({'parent': 'eneyne', 'name': 'd3-ATMgr', 'subject': 'mAgB', 'lbl': 'ATM'}), ({'parent': 'eneyne', 'name': 'd3-atmgr', 'subject': 'gAmB', 'lbl': 'ATM'}), ({'parent': 'ne', 'name': 'd3-atmgr', 'subject': 'atom', 'lbl': 'ATM'}), ]) # yapf: disable def test_dftd3__run_dftd3__3body(inp, subjects, request): subject = subjects()[inp['parent']][inp['subject']] expected = ref[inp['parent']][inp['lbl']][inp['subject']] gexpected = gref[inp['parent']][inp['lbl']][inp['subject']].ravel() if 'qcmol' in request.node.name: mol = subject else: mol = subject.to_schema(dtype=2) resinp = { 'schema_name': 'qcschema_input', 'schema_version': 1, 'molecule': mol, 'driver': 'gradient', 'model': { 'method': inp['name'] }, 'keywords': {}, } jrec = qcng.compute(resinp, 'dftd3', raise_error=True) jrec = jrec.dict() assert len(jrec['extras']['qcvars']) == 8 assert compare_values(expected, jrec['extras']['qcvars']['CURRENT ENERGY'], atol=1.e-7) assert compare_values(expected, jrec['extras']['qcvars']['DISPERSION CORRECTION ENERGY'], atol=1.e-7) assert compare_values(expected, jrec['extras']['qcvars']['3-BODY DISPERSION CORRECTION ENERGY'], atol=1.e-7) assert compare_values( expected, jrec['extras']['qcvars']['AXILROD-TELLER-MUTO 3-BODY DISPERSION CORRECTION ENERGY'], atol=1.e-7) assert compare_values(gexpected, jrec['extras']['qcvars']['CURRENT GRADIENT'], atol=1.e-7) assert compare_values(gexpected, jrec['extras']['qcvars']['DISPERSION CORRECTION GRADIENT'], atol=1.e-7) assert compare_values(gexpected, jrec['extras']['qcvars']['3-BODY DISPERSION CORRECTION GRADIENT'], atol=1.e-7) assert compare_values( gexpected, jrec['extras']['qcvars']['AXILROD-TELLER-MUTO 3-BODY DISPERSION CORRECTION GRADIENT'], atol=1.e-7)
ashutoshvt/psi4
tests/pytests/test_qcng_dftd3_mp2d.py
Python
lgpl-3.0
19,641
[ "Psi4" ]
f59fe18228b75f75c23e3163d4d02e9ece7291033c033c018e7e901d3fea55f9
# Copyright 2015 The TensorFlow Authors. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # ============================================================================== """Various learning rate decay functions.""" from __future__ import absolute_import from __future__ import division from __future__ import print_function import functools from tensorflow.python.eager import context from tensorflow.python.framework import dtypes from tensorflow.python.framework import ops from tensorflow.python.keras.optimizer_v2 import learning_rate_schedule from tensorflow.python.ops import math_ops from tensorflow.python.util.tf_export import tf_export @tf_export(v1=["train.exponential_decay"]) def exponential_decay(learning_rate, global_step, decay_steps, decay_rate, staircase=False, name=None): """Applies exponential decay to the learning rate. When training a model, it is often recommended to lower the learning rate as the training progresses. This function applies an exponential decay function to a provided initial learning rate. It requires a `global_step` value to compute the decayed learning rate. You can just pass a TensorFlow variable that you increment at each training step. The function returns the decayed learning rate. It is computed as: ```python decayed_learning_rate = learning_rate * decay_rate ^ (global_step / decay_steps) ``` If the argument `staircase` is `True`, then `global_step / decay_steps` is an integer division and the decayed learning rate follows a staircase function. Example: decay every 100000 steps with a base of 0.96: ```python ... global_step = tf.Variable(0, trainable=False) starter_learning_rate = 0.1 learning_rate = tf.compat.v1.train.exponential_decay(starter_learning_rate, global_step, 100000, 0.96, staircase=True) # Passing global_step to minimize() will increment it at each step. learning_step = ( tf.compat.v1.train.GradientDescentOptimizer(learning_rate) .minimize(...my loss..., global_step=global_step) ) ``` Args: learning_rate: A scalar `float32` or `float64` `Tensor` or a Python number. The initial learning rate. global_step: A scalar `int32` or `int64` `Tensor` or a Python number. Global step to use for the decay computation. Must not be negative. decay_steps: A scalar `int32` or `int64` `Tensor` or a Python number. Must be positive. See the decay computation above. decay_rate: A scalar `float32` or `float64` `Tensor` or a Python number. The decay rate. staircase: Boolean. If `True` decay the learning rate at discrete intervals name: String. Optional name of the operation. Defaults to 'ExponentialDecay'. Returns: A scalar `Tensor` of the same type as `learning_rate`. The decayed learning rate. Raises: ValueError: if `global_step` is not supplied. @compatibility(eager) When eager execution is enabled, this function returns a function which in turn returns the decayed learning rate Tensor. This can be useful for changing the learning rate value across different invocations of optimizer functions. @end_compatibility """ decayed_lr = learning_rate_schedule.ExponentialDecay( learning_rate, decay_steps, decay_rate, staircase=staircase, name=name) if not context.executing_eagerly(): decayed_lr = decayed_lr(global_step) else: decayed_lr = functools.partial(decayed_lr, global_step) return decayed_lr @tf_export(v1=["train.piecewise_constant_decay", "train.piecewise_constant"]) def piecewise_constant(x, boundaries, values, name=None): """Piecewise constant from boundaries and interval values. Example: use a learning rate that's 1.0 for the first 100001 steps, 0.5 for the next 10000 steps, and 0.1 for any additional steps. ```python global_step = tf.Variable(0, trainable=False) boundaries = [100000, 110000] values = [1.0, 0.5, 0.1] learning_rate = tf.compat.v1.train.piecewise_constant(global_step, boundaries, values) # Later, whenever we perform an optimization step, we increment global_step. ``` Args: x: A 0-D scalar `Tensor`. Must be one of the following types: `float32`, `float64`, `uint8`, `int8`, `int16`, `int32`, `int64`. boundaries: A list of `Tensor`s or `int`s or `float`s with strictly increasing entries, and with all elements having the same type as `x`. values: A list of `Tensor`s or `float`s or `int`s that specifies the values for the intervals defined by `boundaries`. It should have one more element than `boundaries`, and all elements should have the same type. name: A string. Optional name of the operation. Defaults to 'PiecewiseConstant'. Returns: A 0-D Tensor. Its value is `values[0]` when `x <= boundaries[0]`, `values[1]` when `x > boundaries[0]` and `x <= boundaries[1]`, ..., and values[-1] when `x > boundaries[-1]`. Raises: ValueError: if types of `x` and `boundaries` do not match, or types of all `values` do not match or the number of elements in the lists does not match. @compatibility(eager) When eager execution is enabled, this function returns a function which in turn returns the decayed learning rate Tensor. This can be useful for changing the learning rate value across different invocations of optimizer functions. @end_compatibility """ boundaries = ops.convert_n_to_tensor(boundaries) values = ops.convert_n_to_tensor(values) x_recomp = ops.convert_to_tensor(x) # Avoid explicit conversion to x's dtype. This could result in faulty # comparisons, for example if floats are converted to integers. for i, b in enumerate(boundaries): if b.dtype.base_dtype != x_recomp.dtype.base_dtype: # We can promote int32 boundaries to int64 without loss of precision. # This covers the most common case where the user passes in boundaries # as an array of Python integers. if (b.dtype.base_dtype == dtypes.int32 and x_recomp.dtype.base_dtype == dtypes.int64): b = math_ops.cast(b, x_recomp.dtype.base_dtype) boundaries[i] = b else: raise ValueError( "Boundaries (%s) must have the same dtype as x (%s)." % (b.dtype.base_dtype, x_recomp.dtype.base_dtype)) for v in values[1:]: if v.dtype.base_dtype != values[0].dtype.base_dtype: raise ValueError( "Values must have elements all with the same dtype (%s vs %s)." % (values[0].dtype.base_dtype, v.dtype.base_dtype)) decayed_lr = learning_rate_schedule.PiecewiseConstantDecay( boundaries, values, name=name) if not context.executing_eagerly(): decayed_lr = decayed_lr(x) else: decayed_lr = functools.partial(decayed_lr, x) return decayed_lr @tf_export(v1=["train.polynomial_decay"]) def polynomial_decay(learning_rate, global_step, decay_steps, end_learning_rate=0.0001, power=1.0, cycle=False, name=None): """Applies a polynomial decay to the learning rate. It is commonly observed that a monotonically decreasing learning rate, whose degree of change is carefully chosen, results in a better performing model. This function applies a polynomial decay function to a provided initial `learning_rate` to reach an `end_learning_rate` in the given `decay_steps`. It requires a `global_step` value to compute the decayed learning rate. You can just pass a TensorFlow variable that you increment at each training step. The function returns the decayed learning rate. It is computed as: ```python global_step = min(global_step, decay_steps) decayed_learning_rate = (learning_rate - end_learning_rate) * (1 - global_step / decay_steps) ^ (power) + end_learning_rate ``` If `cycle` is True then a multiple of `decay_steps` is used, the first one that is bigger than `global_steps`. ```python decay_steps = decay_steps * ceil(global_step / decay_steps) decayed_learning_rate = (learning_rate - end_learning_rate) * (1 - global_step / decay_steps) ^ (power) + end_learning_rate ``` Example: decay from 0.1 to 0.01 in 10000 steps using sqrt (i.e. power=0.5): ```python ... global_step = tf.Variable(0, trainable=False) starter_learning_rate = 0.1 end_learning_rate = 0.01 decay_steps = 10000 learning_rate = tf.compat.v1.train.polynomial_decay(starter_learning_rate, global_step, decay_steps, end_learning_rate, power=0.5) # Passing global_step to minimize() will increment it at each step. learning_step = ( tf.compat.v1.train.GradientDescentOptimizer(learning_rate) .minimize(...my loss..., global_step=global_step) ) ``` Args: learning_rate: A scalar `float32` or `float64` `Tensor` or a Python number. The initial learning rate. global_step: A scalar `int32` or `int64` `Tensor` or a Python number. Global step to use for the decay computation. Must not be negative. decay_steps: A scalar `int32` or `int64` `Tensor` or a Python number. Must be positive. See the decay computation above. end_learning_rate: A scalar `float32` or `float64` `Tensor` or a Python number. The minimal end learning rate. power: A scalar `float32` or `float64` `Tensor` or a Python number. The power of the polynomial. Defaults to linear, 1.0. cycle: A boolean, whether or not it should cycle beyond decay_steps. name: String. Optional name of the operation. Defaults to 'PolynomialDecay'. Returns: A scalar `Tensor` of the same type as `learning_rate`. The decayed learning rate. Raises: ValueError: if `global_step` is not supplied. @compatibility(eager) When eager execution is enabled, this function returns a function which in turn returns the decayed learning rate Tensor. This can be useful for changing the learning rate value across different invocations of optimizer functions. @end_compatibility """ decayed_lr = learning_rate_schedule.PolynomialDecay( learning_rate, decay_steps, end_learning_rate=end_learning_rate, power=power, cycle=cycle, name=name) if not context.executing_eagerly(): decayed_lr = decayed_lr(global_step) else: decayed_lr = functools.partial(decayed_lr, global_step) return decayed_lr @tf_export(v1=["train.natural_exp_decay"]) def natural_exp_decay(learning_rate, global_step, decay_steps, decay_rate, staircase=False, name=None): """Applies natural exponential decay to the initial learning rate. When training a model, it is often recommended to lower the learning rate as the training progresses. This function applies an exponential decay function to a provided initial learning rate. It requires an `global_step` value to compute the decayed learning rate. You can just pass a TensorFlow variable that you increment at each training step. The function returns the decayed learning rate. It is computed as: ```python decayed_learning_rate = learning_rate * exp(-decay_rate * global_step / decay_step) ``` or, if `staircase` is `True`, as: ```python decayed_learning_rate = learning_rate * exp(-decay_rate * floor(global_step / decay_step)) ``` Example: decay exponentially with a base of 0.96: ```python ... global_step = tf.Variable(0, trainable=False) learning_rate = 0.1 decay_steps = 5 k = 0.5 learning_rate = tf.compat.v1.train.natural_exp_decay(learning_rate, global_step, decay_steps, k) # Passing global_step to minimize() will increment it at each step. learning_step = ( tf.compat.v1.train.GradientDescentOptimizer(learning_rate) .minimize(...my loss..., global_step=global_step) ) ``` Args: learning_rate: A scalar `float32` or `float64` `Tensor` or a Python number. The initial learning rate. global_step: A Python number. Global step to use for the decay computation. Must not be negative. decay_steps: How often to apply decay. decay_rate: A Python number. The decay rate. staircase: Whether to apply decay in a discrete staircase, as opposed to continuous, fashion. name: String. Optional name of the operation. Defaults to 'ExponentialTimeDecay'. Returns: A scalar `Tensor` of the same type as `learning_rate`. The decayed learning rate. Raises: ValueError: if `global_step` is not supplied. @compatibility(eager) When eager execution is enabled, this function returns a function which in turn returns the decayed learning rate Tensor. This can be useful for changing the learning rate value across different invocations of optimizer functions. @end_compatibility """ natural_exp_rate = math_ops.exp(math_ops.negative(decay_rate)) decayed_lr = learning_rate_schedule.ExponentialDecay( learning_rate, decay_steps, natural_exp_rate, staircase=staircase, name=name) if not context.executing_eagerly(): decayed_lr = decayed_lr(global_step) else: decayed_lr = functools.partial(decayed_lr, global_step) return decayed_lr @tf_export(v1=["train.inverse_time_decay"]) def inverse_time_decay(learning_rate, global_step, decay_steps, decay_rate, staircase=False, name=None): """Applies inverse time decay to the initial learning rate. When training a model, it is often recommended to lower the learning rate as the training progresses. This function applies an inverse decay function to a provided initial learning rate. It requires an `global_step` value to compute the decayed learning rate. You can just pass a TensorFlow variable that you increment at each training step. The function returns the decayed learning rate. It is computed as: ```python decayed_learning_rate = learning_rate / (1 + decay_rate * global_step / decay_step) ``` or, if `staircase` is `True`, as: ```python decayed_learning_rate = learning_rate / (1 + decay_rate * floor(global_step / decay_step)) ``` Example: decay 1/t with a rate of 0.5: ```python ... global_step = tf.Variable(0, trainable=False) learning_rate = 0.1 decay_steps = 1.0 decay_rate = 0.5 learning_rate = tf.compat.v1.train.inverse_time_decay(learning_rate, global_step, decay_steps, decay_rate) # Passing global_step to minimize() will increment it at each step. learning_step = ( tf.compat.v1.train.GradientDescentOptimizer(learning_rate) .minimize(...my loss..., global_step=global_step) ) ``` Args: learning_rate: A scalar `float32` or `float64` `Tensor` or a Python number. The initial learning rate. global_step: A Python number. Global step to use for the decay computation. Must not be negative. decay_steps: How often to apply decay. decay_rate: A Python number. The decay rate. staircase: Whether to apply decay in a discrete staircase, as opposed to continuous, fashion. name: String. Optional name of the operation. Defaults to 'InverseTimeDecay'. Returns: A scalar `Tensor` of the same type as `learning_rate`. The decayed learning rate. Raises: ValueError: if `global_step` is not supplied. @compatibility(eager) When eager execution is enabled, this function returns a function which in turn returns the decayed learning rate Tensor. This can be useful for changing the learning rate value across different invocations of optimizer functions. @end_compatibility """ decayed_lr = learning_rate_schedule.InverseTimeDecay( learning_rate, decay_steps, decay_rate, staircase=staircase, name=name) if not context.executing_eagerly(): decayed_lr = decayed_lr(global_step) else: decayed_lr = functools.partial(decayed_lr, global_step) return decayed_lr @tf_export(v1=["train.cosine_decay"]) def cosine_decay(learning_rate, global_step, decay_steps, alpha=0.0, name=None): """Applies cosine decay to the learning rate. See [Loshchilov & Hutter, ICLR2016], SGDR: Stochastic Gradient Descent with Warm Restarts. https://arxiv.org/abs/1608.03983 When training a model, it is often recommended to lower the learning rate as the training progresses. This function applies a cosine decay function to a provided initial learning rate. It requires a `global_step` value to compute the decayed learning rate. You can just pass a TensorFlow variable that you increment at each training step. The function returns the decayed learning rate. It is computed as: ```python global_step = min(global_step, decay_steps) cosine_decay = 0.5 * (1 + cos(pi * global_step / decay_steps)) decayed = (1 - alpha) * cosine_decay + alpha decayed_learning_rate = learning_rate * decayed ``` Example usage: ```python decay_steps = 1000 lr_decayed = cosine_decay(learning_rate, global_step, decay_steps) ``` Args: learning_rate: A scalar `float32` or `float64` Tensor or a Python number. The initial learning rate. global_step: A scalar `int32` or `int64` `Tensor` or a Python number. Global step to use for the decay computation. decay_steps: A scalar `int32` or `int64` `Tensor` or a Python number. Number of steps to decay over. alpha: A scalar `float32` or `float64` Tensor or a Python number. Minimum learning rate value as a fraction of learning_rate. name: String. Optional name of the operation. Defaults to 'CosineDecay'. Returns: A scalar `Tensor` of the same type as `learning_rate`. The decayed learning rate. Raises: ValueError: if `global_step` is not supplied. @compatibility(eager) When eager execution is enabled, this function returns a function which in turn returns the decayed learning rate Tensor. This can be useful for changing the learning rate value across different invocations of optimizer functions. @end_compatibility """ decayed_lr = learning_rate_schedule.CosineDecay( learning_rate, decay_steps, alpha=alpha, name=name) if not context.executing_eagerly(): decayed_lr = decayed_lr(global_step) else: decayed_lr = functools.partial(decayed_lr, global_step) return decayed_lr @tf_export(v1=["train.cosine_decay_restarts"]) def cosine_decay_restarts(learning_rate, global_step, first_decay_steps, t_mul=2.0, m_mul=1.0, alpha=0.0, name=None): """Applies cosine decay with restarts to the learning rate. See [Loshchilov & Hutter, ICLR2016], SGDR: Stochastic Gradient Descent with Warm Restarts. https://arxiv.org/abs/1608.03983 When training a model, it is often recommended to lower the learning rate as the training progresses. This function applies a cosine decay function with restarts to a provided initial learning rate. It requires a `global_step` value to compute the decayed learning rate. You can just pass a TensorFlow variable that you increment at each training step. The function returns the decayed learning rate while taking into account possible warm restarts. The learning rate multiplier first decays from 1 to `alpha` for `first_decay_steps` steps. Then, a warm restart is performed. Each new warm restart runs for `t_mul` times more steps and with `m_mul` times smaller initial learning rate. Example usage: ```python first_decay_steps = 1000 lr_decayed = cosine_decay_restarts(learning_rate, global_step, first_decay_steps) ``` Args: learning_rate: A scalar `float32` or `float64` Tensor or a Python number. The initial learning rate. global_step: A scalar `int32` or `int64` `Tensor` or a Python number. Global step to use for the decay computation. first_decay_steps: A scalar `int32` or `int64` `Tensor` or a Python number. Number of steps to decay over. t_mul: A scalar `float32` or `float64` `Tensor` or a Python number. Used to derive the number of iterations in the i-th period m_mul: A scalar `float32` or `float64` `Tensor` or a Python number. Used to derive the initial learning rate of the i-th period: alpha: A scalar `float32` or `float64` Tensor or a Python number. Minimum learning rate value as a fraction of the learning_rate. name: String. Optional name of the operation. Defaults to 'SGDRDecay'. Returns: A scalar `Tensor` of the same type as `learning_rate`. The decayed learning rate. Raises: ValueError: if `global_step` is not supplied. @compatibility(eager) When eager execution is enabled, this function returns a function which in turn returns the decayed learning rate Tensor. This can be useful for changing the learning rate value across different invocations of optimizer functions. @end_compatibility """ decayed_lr = learning_rate_schedule.CosineDecayRestarts( learning_rate, first_decay_steps, t_mul=t_mul, m_mul=m_mul, alpha=alpha, name=name) if not context.executing_eagerly(): decayed_lr = decayed_lr(global_step) else: decayed_lr = functools.partial(decayed_lr, global_step) return decayed_lr @tf_export(v1=["train.linear_cosine_decay"]) def linear_cosine_decay(learning_rate, global_step, decay_steps, num_periods=0.5, alpha=0.0, beta=0.001, name=None): """Applies linear cosine decay to the learning rate. See [Bello et al., ICML2017] Neural Optimizer Search with RL. https://arxiv.org/abs/1709.07417 For the idea of warm starts here controlled by `num_periods`, see [Loshchilov & Hutter, ICLR2016] SGDR: Stochastic Gradient Descent with Warm Restarts. https://arxiv.org/abs/1608.03983 Note that linear cosine decay is more aggressive than cosine decay and larger initial learning rates can typically be used. When training a model, it is often recommended to lower the learning rate as the training progresses. This function applies a linear cosine decay function to a provided initial learning rate. It requires a `global_step` value to compute the decayed learning rate. You can just pass a TensorFlow variable that you increment at each training step. The function returns the decayed learning rate. It is computed as: ```python global_step = min(global_step, decay_steps) linear_decay = (decay_steps - global_step) / decay_steps) cosine_decay = 0.5 * ( 1 + cos(pi * 2 * num_periods * global_step / decay_steps)) decayed = (alpha + linear_decay) * cosine_decay + beta decayed_learning_rate = learning_rate * decayed ``` Example usage: ```python decay_steps = 1000 lr_decayed = linear_cosine_decay(learning_rate, global_step, decay_steps) ``` Args: learning_rate: A scalar `float32` or `float64` Tensor or a Python number. The initial learning rate. global_step: A scalar `int32` or `int64` `Tensor` or a Python number. Global step to use for the decay computation. decay_steps: A scalar `int32` or `int64` `Tensor` or a Python number. Number of steps to decay over. num_periods: Number of periods in the cosine part of the decay. See computation above. alpha: See computation above. beta: See computation above. name: String. Optional name of the operation. Defaults to 'LinearCosineDecay'. Returns: A scalar `Tensor` of the same type as `learning_rate`. The decayed learning rate. Raises: ValueError: if `global_step` is not supplied. @compatibility(eager) When eager execution is enabled, this function returns a function which in turn returns the decayed learning rate Tensor. This can be useful for changing the learning rate value across different invocations of optimizer functions. @end_compatibility """ decayed_lr = learning_rate_schedule.LinearCosineDecay( learning_rate, decay_steps, num_periods=num_periods, alpha=alpha, beta=beta, name=name) if not context.executing_eagerly(): decayed_lr = decayed_lr(global_step) else: decayed_lr = functools.partial(decayed_lr, global_step) return decayed_lr @tf_export(v1=["train.noisy_linear_cosine_decay"]) def noisy_linear_cosine_decay(learning_rate, global_step, decay_steps, initial_variance=1.0, variance_decay=0.55, num_periods=0.5, alpha=0.0, beta=0.001, name=None): """Applies noisy linear cosine decay to the learning rate. See [Bello et al., ICML2017] Neural Optimizer Search with RL. https://arxiv.org/abs/1709.07417 For the idea of warm starts here controlled by `num_periods`, see [Loshchilov & Hutter, ICLR2016] SGDR: Stochastic Gradient Descent with Warm Restarts. https://arxiv.org/abs/1608.03983 Note that linear cosine decay is more aggressive than cosine decay and larger initial learning rates can typically be used. When training a model, it is often recommended to lower the learning rate as the training progresses. This function applies a noisy linear cosine decay function to a provided initial learning rate. It requires a `global_step` value to compute the decayed learning rate. You can just pass a TensorFlow variable that you increment at each training step. The function returns the decayed learning rate. It is computed as: ```python global_step = min(global_step, decay_steps) linear_decay = (decay_steps - global_step) / decay_steps) cosine_decay = 0.5 * ( 1 + cos(pi * 2 * num_periods * global_step / decay_steps)) decayed = (alpha + linear_decay + eps_t) * cosine_decay + beta decayed_learning_rate = learning_rate * decayed ``` where eps_t is 0-centered gaussian noise with variance initial_variance / (1 + global_step) ** variance_decay Example usage: ```python decay_steps = 1000 lr_decayed = noisy_linear_cosine_decay( learning_rate, global_step, decay_steps) ``` Args: learning_rate: A scalar `float32` or `float64` Tensor or a Python number. The initial learning rate. global_step: A scalar `int32` or `int64` `Tensor` or a Python number. Global step to use for the decay computation. decay_steps: A scalar `int32` or `int64` `Tensor` or a Python number. Number of steps to decay over. initial_variance: initial variance for the noise. See computation above. variance_decay: decay for the noise's variance. See computation above. num_periods: Number of periods in the cosine part of the decay. See computation above. alpha: See computation above. beta: See computation above. name: String. Optional name of the operation. Defaults to 'NoisyLinearCosineDecay'. Returns: A scalar `Tensor` of the same type as `learning_rate`. The decayed learning rate. Raises: ValueError: if `global_step` is not supplied. @compatibility(eager) When eager execution is enabled, this function returns a function which in turn returns the decayed learning rate Tensor. This can be useful for changing the learning rate value across different invocations of optimizer functions. @end_compatibility """ decayed_lr = learning_rate_schedule.NoisyLinearCosineDecay( learning_rate, decay_steps, initial_variance=initial_variance, variance_decay=variance_decay, num_periods=num_periods, alpha=alpha, beta=beta, name=name) if not context.executing_eagerly(): decayed_lr = decayed_lr(global_step) else: decayed_lr = functools.partial(decayed_lr, global_step) return decayed_lr
ghchinoy/tensorflow
tensorflow/python/training/learning_rate_decay.py
Python
apache-2.0
29,150
[ "Gaussian" ]
13ebdf750202396485c88b1782a5ba2b3bfeb0523eafee4273c6c568f5373bdb
# emacs: -*- mode: python; py-indent-offset: 4; indent-tabs-mode: nil -*- # vi: set ft=python sts=4 ts=4 sw=4 et: """The minc module provides classes for interfacing with the `MINC <http://www.bic.mni.mcgill.ca/ServicesSoftware/MINC>`_ command line tools. This module was written to work with MINC version 2.2.00. Author: Carlo Hamalainen <carlo@carlo-hamalainen.net> http://carlo-hamalainen.net Change directory to provide relative paths for doctests >>> import os >>> filepath = os.path.dirname( os.path.realpath( __file__ ) ) >>> datadir = os.path.realpath(os.path.join(filepath, '../../testing/data')) >>> os.chdir(datadir) """ from ..base import ( TraitedSpec, CommandLineInputSpec, CommandLine, StdOutCommandLineInputSpec, StdOutCommandLine, File, Directory, InputMultiPath, OutputMultiPath, traits, isdefined, ) import glob import os import os.path import re from ..minc.base import check_minc, no_minc, Info, aggregate_filename import warnings warn = warnings.warn warnings.filterwarnings('always', category=UserWarning) class ExtractInputSpec(StdOutCommandLineInputSpec): input_file = File( desc='input file', exists=True, mandatory=True, argstr='%s', position=-2,) output_file = File( desc='output file', position=-1, name_source=['input_file'], hash_files=False, name_template='%s.raw', keep_extension=False) _xor_write = ('write_ascii', 'write_ascii', 'write_byte', 'write_short', 'write_int', 'write_long', 'write_float', 'write_double', 'write_signed', 'write_unsigned',) write_ascii = traits.Bool( desc='Write out data as ascii strings (default).', argstr='-ascii', xor=_xor_write) write_byte = traits.Bool( desc='Write out data as bytes.', argstr='-byte', xor=_xor_write) write_short = traits.Bool( desc='Write out data as short integers.', argstr='-short', xor=_xor_write) write_int = traits.Bool( desc='Write out data as 32-bit integers.', argstr='-int', xor=_xor_write) write_long = traits.Bool( desc='Superseded by write_int.', argstr='-long', xor=_xor_write) write_float = traits.Bool( desc='Write out data as single precision floating-point values.', argstr='-float', xor=_xor_write) write_double = traits.Bool( desc='Write out data as double precision floating-point values.', argstr='-double', xor=_xor_write) _xor_signed = ('write_signed', 'write_unsigned') write_signed = traits.Bool( desc='Write out signed data.', argstr='-signed', xor=_xor_signed) write_unsigned = traits.Bool( desc='Write out unsigned data.', argstr='-unsigned', xor=_xor_signed) write_range = traits.Tuple( traits.Float, traits.Float, argstr='-range %s %s', desc='Specify the range of output values\nDefault value: 1.79769e+308 1.79769e+308.',) _xor_normalize = ('normalize', 'nonormalize',) normalize = traits.Bool( desc='Normalize integer pixel values to file max and min.', argstr='-normalize', xor=_xor_normalize) nonormalize = traits.Bool( desc='Turn off pixel normalization.', argstr='-nonormalize', xor=_xor_normalize) image_range = traits.Tuple( traits.Float, traits.Float, desc='Specify the range of real image values for normalization.', argstr='-image_range %s %s') image_minimum = traits.Float( desc=('Specify the minimum real image value for normalization.' 'Default value: 1.79769e+308.'), argstr='-image_minimum %s') image_maximum = traits.Float( desc=('Specify the maximum real image value for normalization.' 'Default value: 1.79769e+308.'), argstr='-image_maximum %s') start = InputMultiPath( traits.Int, desc='Specifies corner of hyperslab (C conventions for indices).', sep=',', argstr='-start %s',) count = InputMultiPath( traits.Int, desc='Specifies edge lengths of hyperslab to read.', sep=',', argstr='-count %s',) # FIXME Can we make sure that len(start) == len(count)? _xor_flip = ( 'flip_positive_direction', 'flip_negative_direction', 'flip_any_direction') flip_positive_direction = traits.Bool( desc='Flip images to always have positive direction.', argstr='-positive_direction', xor=_xor_flip) flip_negative_direction = traits.Bool( desc='Flip images to always have negative direction.', argstr='-negative_direction', xor=_xor_flip) flip_any_direction = traits.Bool( desc='Do not flip images (Default).', argstr='-any_direction', xor=_xor_flip) _xor_x_flip = ('flip_x_positive', 'flip_x_negative', 'flip_x_any') flip_x_positive = traits.Bool( desc='Flip images to give positive xspace:step value (left-to-right).', argstr='+xdirection', xor=_xor_x_flip) flip_x_negative = traits.Bool( desc='Flip images to give negative xspace:step value (right-to-left).', argstr='-xdirection', xor=_xor_x_flip) flip_x_any = traits.Bool( desc='Don\'t flip images along x-axis (default).', argstr='-xanydirection', xor=_xor_x_flip) _xor_y_flip = ('flip_y_positive', 'flip_y_negative', 'flip_y_any') flip_y_positive = traits.Bool( desc='Flip images to give positive yspace:step value (post-to-ant).', argstr='+ydirection', xor=_xor_y_flip) flip_y_negative = traits.Bool( desc='Flip images to give negative yspace:step value (ant-to-post).', argstr='-ydirection', xor=_xor_y_flip) flip_y_any = traits.Bool( desc='Don\'t flip images along y-axis (default).', argstr='-yanydirection', xor=_xor_y_flip) _xor_z_flip = ('flip_z_positive', 'flip_z_negative', 'flip_z_any') flip_z_positive = traits.Bool( desc='Flip images to give positive zspace:step value (inf-to-sup).', argstr='+zdirection', xor=_xor_z_flip) flip_z_negative = traits.Bool( desc='Flip images to give negative zspace:step value (sup-to-inf).', argstr='-zdirection', xor=_xor_z_flip) flip_z_any = traits.Bool( desc='Don\'t flip images along z-axis (default).', argstr='-zanydirection', xor=_xor_z_flip) class ExtractOutputSpec(TraitedSpec): output_file = File(desc='output file in raw/text format', exists=True) class Extract(StdOutCommandLine): """Dump a hyperslab of MINC file data. Examples -------- >>> from nipype.interfaces.minc import Extract >>> from nipype.interfaces.minc.testdata import minc2Dfile >>> extract = Extract(input_file=minc2Dfile) >>> extract.run() # doctest: +SKIP >>> extract = Extract(input_file=minc2Dfile, start=[3, 10, 5], count=[4, 4, 4]) # extract a 4x4x4 slab at offset [3, 10, 5] >>> extract.run() # doctest: +SKIP """ input_spec = ExtractInputSpec output_spec = ExtractOutputSpec _cmd = 'mincextract' class ToRawInputSpec(StdOutCommandLineInputSpec): input_file = File( desc='input file', exists=True, mandatory=True, argstr='%s', position=-2,) output_file = File( desc='output file', position=-1, name_source=['input_file'], hash_files=False, name_template='%s.raw', keep_extension=False) _xor_write = ('write_byte', 'write_short', 'write_int', 'write_long', 'write_float', 'write_double') write_byte = traits.Bool( desc='Write out data as bytes.', argstr='-byte', xor=_xor_write) write_short = traits.Bool( desc='Write out data as short integers.', argstr='-short', xor=_xor_write) write_int = traits.Bool( desc='Write out data as 32-bit integers.', argstr='-int', xor=_xor_write) write_long = traits.Bool( desc='Superseded by write_int.', argstr='-long', xor=_xor_write) write_float = traits.Bool( desc='Write out data as single precision floating-point values.', argstr='-float', xor=_xor_write) write_double = traits.Bool( desc='Write out data as double precision floating-point values.', argstr='-double', xor=_xor_write) _xor_signed = ('write_signed', 'write_unsigned') write_signed = traits.Bool( desc='Write out signed data.', argstr='-signed', xor=_xor_signed) write_unsigned = traits.Bool( desc='Write out unsigned data.', argstr='-unsigned', xor=_xor_signed) write_range = traits.Tuple( traits.Float, traits.Float, argstr='-range %s %s', desc=('Specify the range of output values.' 'Default value: 1.79769e+308 1.79769e+308.'),) _xor_normalize = ('normalize', 'nonormalize',) normalize = traits.Bool( desc='Normalize integer pixel values to file max and min.', argstr='-normalize', xor=_xor_normalize) nonormalize = traits.Bool( desc='Turn off pixel normalization.', argstr='-nonormalize', xor=_xor_normalize) class ToRawOutputSpec(TraitedSpec): output_file = File(desc='output file in raw format', exists=True) class ToRaw(StdOutCommandLine): """Dump a chunk of MINC file data. This program is largely superceded by mincextract (see Extract). Examples -------- >>> from nipype.interfaces.minc import ToRaw >>> from nipype.interfaces.minc.testdata import minc2Dfile >>> toraw = ToRaw(input_file=minc2Dfile) >>> toraw.run() # doctest: +SKIP >>> toraw = ToRaw(input_file=minc2Dfile, write_range=(0, 100)) >>> toraw.run() # doctest: +SKIP """ input_spec = ToRawInputSpec output_spec = ToRawOutputSpec _cmd = 'minctoraw' class ConvertInputSpec(CommandLineInputSpec): input_file = File( desc='input file for converting', exists=True, mandatory=True, argstr='%s', position=-2,) output_file = File( desc='output file', genfile=True, argstr='%s', position=-1, name_source=['input_file'], hash_files=False, name_template='%s_convert_output.mnc') clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) two = traits.Bool(desc='Create a MINC 2 output file.', argstr='-2') template = traits.Bool( desc=('Create a template file. The dimensions, variables, and' 'attributes of the input file are preserved but all data it set to zero.'), argstr='-template', ) compression = traits.Enum( 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, argstr='-compress %s', desc='Set the compression level, from 0 (disabled) to 9 (maximum).', ) chunk = traits.Range( low=0, desc='Set the target block size for chunking (0 default, >1 block size).', value=0, usedefault=False, argstr='-chunk %d', ) class ConvertOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) class Convert(CommandLine): """convert between MINC 1 to MINC 2 format. Examples -------- >>> from nipype.interfaces.minc import Convert >>> from nipype.interfaces.minc.testdata import minc2Dfile >>> c = Convert(input_file=minc2Dfile, output_file='/tmp/out.mnc', two=True) # Convert to MINC2 format. >>> c.run() # doctest: +SKIP """ input_spec = ConvertInputSpec output_spec = ConvertOutputSpec _cmd = 'mincconvert' class CopyInputSpec(CommandLineInputSpec): input_file = File( desc='input file to copy', exists=True, mandatory=True, argstr='%s', position=-2,) output_file = File( desc='output file', genfile=True, argstr='%s', position=-1, name_source=['input_file'], hash_files=False, name_template='%s_copy.mnc') _xor_pixel = ('pixel_values', 'real_values') pixel_values = traits.Bool( desc='Copy pixel values as is.', argstr='-pixel_values', xor=_xor_pixel) real_values = traits.Bool( desc='Copy real pixel intensities (default).', argstr='-real_values', xor=_xor_pixel) class CopyOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) class Copy(CommandLine): """ Copy image values from one MINC file to another. Both the input and output files must exist, and the images in both files must have an equal number dimensions and equal dimension lengths. NOTE: This program is intended primarily for use with scripts such as mincedit. It does not follow the typical design rules of most MINC command-line tools and therefore should be used only with caution. """ input_spec = CopyInputSpec output_spec = CopyOutputSpec _cmd = 'minccopy' class ToEcatInputSpec(CommandLineInputSpec): input_file = File( desc='input file to convert', exists=True, mandatory=True, argstr='%s', position=-2,) output_file = File( desc='output file', genfile=True, argstr='%s', position=-1, name_source=['input_file'], hash_files=False, name_template='%s_to_ecat.v', keep_extension=False) ignore_patient_variable = traits.Bool( desc='Ignore informations from the minc patient variable.', argstr='-ignore_patient_variable',) ignore_study_variable = traits.Bool( desc='Ignore informations from the minc study variable.', argstr='-ignore_study_variable',) ignore_acquisition_variable = traits.Bool( desc='Ignore informations from the minc acquisition variable.', argstr='-ignore_acquisition_variable',) ignore_ecat_acquisition_variable = traits.Bool( desc='Ignore informations from the minc ecat_acquisition variable.', argstr='-ignore_ecat_acquisition_variable',) ignore_ecat_main = traits.Bool( desc='Ignore informations from the minc ecat-main variable.', argstr='-ignore_ecat_main',) ignore_ecat_subheader_variable = traits.Bool( desc='Ignore informations from the minc ecat-subhdr variable.', argstr='-ignore_ecat_subheader_variable',) no_decay_corr_fctr = traits.Bool( desc='Do not compute the decay correction factors', argstr='-no_decay_corr_fctr',) voxels_as_integers = traits.Bool( desc=('Voxel values are treated as integers, scale and' 'calibration factors are set to unity'), argstr='-label',) class ToEcatOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) class ToEcat(CommandLine): """Convert a 2D image, a 3D volumes or a 4D dynamic volumes written in MINC file format to a 2D, 3D or 4D Ecat7 file. Examples -------- >>> from nipype.interfaces.minc import ToEcat >>> from nipype.interfaces.minc.testdata import minc2Dfile >>> c = ToEcat(input_file=minc2Dfile) >>> c.run() # doctest: +SKIP >>> c = ToEcat(input_file=minc2Dfile, voxels_as_integers=True) >>> c.run() # doctest: +SKIP """ input_spec = ToEcatInputSpec output_spec = ToEcatOutputSpec _cmd = 'minctoecat' class DumpInputSpec(StdOutCommandLineInputSpec): input_file = File( desc='input file', exists=True, mandatory=True, argstr='%s', position=-2,) output_file = File( desc='output file', position=-1, name_source=['input_file'], hash_files=False, name_template='%s_dump.txt', keep_extension=False) _xor_coords_or_header = ('coordinate_data', 'header_data',) coordinate_data = traits.Bool( desc='Coordinate variable data and header information.', argstr='-c', xor=_xor_coords_or_header) header_data = traits.Bool( desc='Header information only, no data.', argstr='-h', xor=_xor_coords_or_header) _xor_annotations = ('annotations_brief', 'annotations_full',) annotations_brief = traits.Enum( 'c', 'f', argstr='-b %s', desc='Brief annotations for C or Fortran indices in data.', xor=_xor_annotations) annotations_full = traits.Enum( 'c', 'f', argstr='-f %s', desc='Full annotations for C or Fortran indices in data.', xor=_xor_annotations) variables = InputMultiPath( traits.Str, desc='Output data for specified variables only.', sep=',', argstr='-v %s') line_length = traits.Range( low=0, desc='Line length maximum in data section (default 80).', value=80, usedefault=False, argstr='-l %d') netcdf_name = traits.Str( desc='Name for netCDF (default derived from file name).', argstr='-n %s') precision = traits.Either( traits.Int(), traits.Tuple(traits.Int, traits.Int), desc='Display floating-point values with less precision', argstr='%s',) # See _format_arg in Dump for actual formatting. class DumpOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) class Dump(StdOutCommandLine): """Dump a MINC file. Typically used in conjunction with mincgen (see Gen). Examples -------- >>> from nipype.interfaces.minc import Dump >>> from nipype.interfaces.minc.testdata import minc2Dfile >>> dump = Dump(input_file=minc2Dfile) >>> dump.run() # doctest: +SKIP >>> dump = Dump(input_file=minc2Dfile, output_file='/tmp/out.txt', precision=(3, 4)) >>> dump.run() # doctest: +SKIP """ input_spec = DumpInputSpec output_spec = DumpOutputSpec _cmd = 'mincdump' def _format_arg(self, name, spec, value): if name == 'precision': if isinstance(value, int): return '-p %d' % value elif isinstance(value, tuple) and isinstance(value[0], int) and isinstance(value[1], int): return '-p %d,%d' % (value[0], value[1],) else: raise ValueError('Invalid precision argument: ' + str(value)) return super(Dump, self)._format_arg(name, spec, value) class AverageInputSpec(CommandLineInputSpec): _xor_input_files = ('input_files', 'filelist') input_files = InputMultiPath( traits.File(exists=True), desc='input file(s)', mandatory=True, sep=' ', argstr='%s', position=-2, xor=_xor_input_files) filelist = traits.File( desc='Specify the name of a file containing input file names.', argstr='-filelist %s', exists=True, mandatory=True, xor=_xor_input_files) output_file = File( desc='output file', genfile=True, argstr='%s', position=-1, name_source=['input_files'], hash_files=False, name_template='%s_averaged.mnc') two = traits.Bool(desc='Create a MINC 2 output file.', argstr='-2') clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) _xor_verbose = ('verbose', 'quiet',) verbose = traits.Bool( desc='Print out log messages (default).', argstr='-verbose', xor=_xor_verbose) quiet = traits.Bool( desc='Do not print out log messages.', argstr='-quiet', xor=_xor_verbose) debug = traits.Bool(desc='Print out debugging messages.', argstr='-debug') _xor_check_dimensions = ('check_dimensions', 'no_check_dimensions',) check_dimensions = traits.Bool( desc='Check that dimension info matches across files (default).', argstr='-check_dimensions', xor=_xor_check_dimensions) no_check_dimensions = traits.Bool( desc='Do not check dimension info.', argstr='-nocheck_dimensions', xor=_xor_check_dimensions) _xor_format = ( 'format_filetype', 'format_byte', 'format_short', 'format_int', 'format_long', 'format_float', 'format_double', 'format_signed', 'format_unsigned', ) format_filetype = traits.Bool( desc='Use data type of first file (default).', argstr='-filetype', xor=_xor_format) format_byte = traits.Bool( desc='Write out byte data.', argstr='-byte', xor=_xor_format) format_short = traits.Bool( desc='Write out short integer data.', argstr='-short', xor=_xor_format) format_int = traits.Bool( desc='Write out 32-bit integer data.', argstr='-int', xor=_xor_format) format_long = traits.Bool( desc='Superseded by -int.', argstr='-long', xor=_xor_format) format_float = traits.Bool( desc='Write out single-precision floating-point data.', argstr='-float', xor=_xor_format) format_double = traits.Bool( desc='Write out double-precision floating-point data.', argstr='-double', xor=_xor_format) format_signed = traits.Bool( desc='Write signed integer data.', argstr='-signed', xor=_xor_format) format_unsigned = traits.Bool( desc='Write unsigned integer data (default).', argstr='-unsigned', xor=_xor_format) max_buffer_size_in_kb = traits.Range( low=0, desc='Specify the maximum size of the internal buffers (in kbytes).', value=4096, argstr='-max_buffer_size_in_kb %d',) _xor_normalize = ('normalize', 'nonormalize',) normalize = traits.Bool( desc='Normalize data sets for mean intensity.', argstr='-normalize', xor=_xor_normalize) nonormalize = traits.Bool( desc='Do not normalize data sets (default).', argstr='-nonormalize', xor=_xor_normalize) voxel_range = traits.Tuple( traits.Int, traits.Int, argstr='-range %d %d', desc='Valid range for output data.') sdfile = traits.File( desc='Specify an output sd file (default=none).', argstr='-sdfile %s') _xor_copy_header = ('copy_header', 'no_copy_header') copy_header = traits.Bool( desc='Copy all of the header from the first file (default for one file).', argstr='-copy_header', xor=_xor_copy_header) no_copy_header = traits.Bool( desc='Do not copy all of the header from the first file (default for many files)).', argstr='-nocopy_header', xor=_xor_copy_header) avgdim = traits.Str( desc='Specify a dimension along which we wish to average.', argstr='-avgdim %s') binarize = traits.Bool( desc='Binarize the volume by looking for values in a given range.', argstr='-binarize') binrange = traits.Tuple( traits.Float, traits.Float, argstr='-binrange %s %s', desc='Specify a range for binarization. Default value: 1.79769e+308 -1.79769e+308.') binvalue = traits.Float( desc=('Specify a target value (+/- 0.5) for' 'binarization. Default value: -1.79769e+308'), argstr='-binvalue %s') weights = InputMultiPath( traits.Str, desc='Specify weights for averaging ("<w1>,<w2>,...").', sep=',', argstr='-weights %s',) width_weighted = traits.Bool( desc='Weight by dimension widths when -avgdim is used.', argstr='-width_weighted', requires=( 'avgdim', )) class AverageOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) class Average(CommandLine): """Average a number of MINC files. Examples -------- >>> from nipype.interfaces.minc import Average >>> from nipype.interfaces.minc.testdata import nonempty_minc_data >>> files = [nonempty_minc_data(i) for i in range(3)] >>> average = Average(input_files=files, output_file='/tmp/tmp.mnc') >>> average.run() # doctest: +SKIP """ input_spec = AverageInputSpec output_spec = AverageOutputSpec _cmd = 'mincaverage' class BlobInputSpec(CommandLineInputSpec): input_file = File( desc='input file to blob', exists=True, mandatory=True, argstr='%s', position=-2,) output_file = File( desc='output file', genfile=True, argstr='%s', position=-1, name_source=['input_file'], hash_files=False, name_template='%s_blob.mnc') trace = traits.Bool( desc='compute the trace (approximate growth and shrinkage) -- FAST', argstr='-trace') determinant = traits.Bool( desc='compute the determinant (exact growth and shrinkage) -- SLOW', argstr='-determinant') translation = traits.Bool( desc='compute translation (structure displacement)', argstr='-translation') magnitude = traits.Bool( desc='compute the magnitude of the displacement vector', argstr='-magnitude') class BlobOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) class Blob(CommandLine): """Calculate blobs from minc deformation grids. Examples -------- >>> from nipype.interfaces.minc import Blob >>> from nipype.interfaces.minc.testdata import minc2Dfile >>> blob = Blob(input_file=minc2Dfile, output_file='/tmp/tmp.mnc', trace=True) >>> blob.run() # doctest: +SKIP """ input_spec = BlobInputSpec output_spec = BlobOutputSpec _cmd = 'mincblob' class CalcInputSpec(CommandLineInputSpec): _xor_input_files = ('input_files', 'filelist') input_files = InputMultiPath( traits.File(exists=True), desc='input file(s) for calculation', mandatory=True, sep=' ', argstr='%s', position=-2,) output_file = File( desc='output file', genfile=True, argstr='%s', position=-1, name_source=['input_files'], hash_files=False, name_template='%s_calc.mnc') two = traits.Bool(desc='Create a MINC 2 output file.', argstr='-2') clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) _xor_verbose = ('verbose', 'quiet',) verbose = traits.Bool( desc='Print out log messages (default).', argstr='-verbose', xor=_xor_verbose) quiet = traits.Bool( desc='Do not print out log messages.', argstr='-quiet', xor=_xor_verbose) debug = traits.Bool(desc='Print out debugging messages.', argstr='-debug') filelist = traits.File( desc='Specify the name of a file containing input file names.', argstr='-filelist %s', mandatory=True, xor=_xor_input_files) _xor_copy_header = ('copy_header', 'no_copy_header') copy_header = traits.Bool( desc='Copy all of the header from the first file.', argstr='-copy_header', xor=_xor_copy_header) no_copy_header = traits.Bool( desc='Do not copy all of the header from the first file.', argstr='-nocopy_header', xor=_xor_copy_header) _xor_format = ( 'format_filetype', 'format_byte', 'format_short', 'format_int', 'format_long', 'format_float', 'format_double', 'format_signed', 'format_unsigned', ) format_filetype = traits.Bool( desc='Use data type of first file (default).', argstr='-filetype', xor=_xor_format) format_byte = traits.Bool( desc='Write out byte data.', argstr='-byte', xor=_xor_format) format_short = traits.Bool( desc='Write out short integer data.', argstr='-short', xor=_xor_format) format_int = traits.Bool( desc='Write out 32-bit integer data.', argstr='-int', xor=_xor_format) format_long = traits.Bool( desc='Superseded by -int.', argstr='-long', xor=_xor_format) format_float = traits.Bool( desc='Write out single-precision floating-point data.', argstr='-float', xor=_xor_format) format_double = traits.Bool( desc='Write out double-precision floating-point data.', argstr='-double', xor=_xor_format) format_signed = traits.Bool( desc='Write signed integer data.', argstr='-signed', xor=_xor_format) format_unsigned = traits.Bool( desc='Write unsigned integer data (default).', argstr='-unsigned', xor=_xor_format) voxel_range = traits.Tuple( traits.Int, traits.Int, argstr='-range %d %d', desc='Valid range for output data.',) max_buffer_size_in_kb = traits.Range( low=0, desc='Specify the maximum size of the internal buffers (in kbytes).', value=0, usedefault=False, argstr='-max_buffer_size_in_kb %d') _xor_check_dimensions = ('check_dimensions', 'no_check_dimensions',) check_dimensions = traits.Bool( desc='Check that files have matching dimensions (default).', argstr='-check_dimensions', xor=_xor_check_dimensions) no_check_dimensions = traits.Bool( desc='Do not check that files have matching dimensions.', argstr='-nocheck_dimensions', xor=_xor_check_dimensions) # FIXME Is it sensible to use ignore_nan and propagate_nan at the same # time? Document this. ignore_nan = traits.Bool( desc='Ignore invalid data (NaN) for accumulations.', argstr='-ignore_nan') propagate_nan = traits.Bool( desc='Invalid data in any file at a voxel produces a NaN (default).', argstr='-propagate_nan') # FIXME Double-check that these are mutually exclusive? _xor_nan_zero_illegal = ( 'output_nan', 'output_zero', 'output_illegal_value') output_nan = traits.Bool( desc='Output NaN when an illegal operation is done (default).', argstr='-nan', xor=_xor_nan_zero_illegal) output_zero = traits.Bool( desc='Output zero when an illegal operation is done.', argstr='-zero', xor=_xor_nan_zero_illegal) output_illegal = traits.Bool( desc='Value to write out when an illegal operation is done. Default value: 1.79769e+308', argstr='-illegal_value', xor=_xor_nan_zero_illegal) _xor_expression = ('expression', 'expfile') expression = traits.Str( desc='Expression to use in calculations.', argstr='-expression \'%s\'', xor=_xor_expression, mandatory=True) expfile = traits.File( desc='Name of file containing expression.', argstr='-expfile %s', xor=_xor_expression, mandatory=True) # FIXME test this one, the argstr will probably need tweaking, see # _format_arg. outfiles = traits.List( traits.Tuple( traits.Str, traits.File, argstr='-outfile %s %s', desc=('List of (symbol, file) tuples indicating that output should be written' 'to the specified file, taking values from the symbol which should be' 'created in the expression (see the EXAMPLES section). If this option' 'is given, then all non-option arguments are taken as input files.' 'This option can be used multiple times for multiple output files.'))) eval_width = traits.Int( 200, desc='Number of voxels to evaluate simultaneously.', argstr='-eval_width %s', usedefault=False) class CalcOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) class Calc(CommandLine): """Compute an expression using MINC files as input. Examples -------- >>> from nipype.interfaces.minc import Calc >>> from nipype.interfaces.minc.testdata import nonempty_minc_data >>> file0 = nonempty_minc_data(0) >>> file1 = nonempty_minc_data(1) >>> calc = Calc(input_files=[file0, file1], output_file='/tmp/calc.mnc', expression='A[0] + A[1]') # add files together >>> calc.run() # doctest: +SKIP """ input_spec = CalcInputSpec output_spec = CalcOutputSpec _cmd = 'minccalc' # FIXME mincbbox produces output like # # -5.000000 -5.000000 -5.000000 4.800000 2.800000 8.800000 # # so perhaps this would be better returned as a pair of Python # lists instead of sending to an output file? class BBoxInputSpec(StdOutCommandLineInputSpec): input_file = File( desc='input file', exists=True, mandatory=True, argstr='%s', position=-2,) output_file = File( desc='output file containing bounding box corners', position=-1, name_source=['input_file'], hash_files=False, name_template='%s_bbox.txt', keep_extension=False) threshold = traits.Int( 0, desc='VIO_Real value threshold for bounding box. Default value: 0.', argstr='-threshold') _xor_one_two = ('one_line', 'two_lines') one_line = traits.Bool( desc='Output on one line (default): start_x y z width_x y z', argstr='-one_line', xor=_xor_one_two) two_lines = traits.Bool( desc='Output on two lines: start_x y z \n width_x y z', argstr='-two_lines', xor=_xor_one_two) format_mincresample = traits.Bool( desc='Output format for mincresample: (-step x y z -start x y z -nelements x y z', argstr='-mincresample') format_mincreshape = traits.Bool( desc='Output format for mincreshape: (-start x,y,z -count dx,dy,dz', argstr='-mincreshape') format_minccrop = traits.Bool( desc='Output format for minccrop: (-xlim x1 x2 -ylim y1 y2 -zlim z1 z2', argstr='-minccrop') # FIXME Not implemented, will clash with our parsing of the output? # Command-specific options: # Options for logging progress. Default = -verbose. # -verbose: Write messages indicating progress # -quiet: Do not write log messages # -debug: Print out debug info. class BBoxOutputSpec(TraitedSpec): output_file = File( desc='output file containing bounding box corners', exists=True) class BBox(StdOutCommandLine): """Determine a bounding box of image. Examples -------- >>> from nipype.interfaces.minc import BBox >>> from nipype.interfaces.minc.testdata import nonempty_minc_data >>> file0 = nonempty_minc_data(0) >>> bbox = BBox(input_file=file0) >>> bbox.run() # doctest: +SKIP """ input_spec = BBoxInputSpec output_spec = BBoxOutputSpec _cmd = 'mincbbox' class BeastInputSpec(CommandLineInputSpec): """ TODO: Command-specific options: -verbose: Enable verbose output. -positive: Specify mask of positive segmentation (inside mask) instead of the default mask. -output_selection: Specify file to output selected files. -count: Specify file to output the patch count. -mask: Specify a segmentation mask instead of the the default mask. -no_mask: Do not apply a segmentation mask. Perform the segmentation over the entire image. -no_positive: Do not apply a positive mask. Generic options for all commands: -help: Print summary of command-line options and abort -version: Print version number of program and exit Copyright (C) 2011 Simon Fristed Eskildsen, Vladimir Fonov, Pierrick Coupe, Jose V. Manjon This program comes with ABSOLUTELY NO WARRANTY; for details type 'cat COPYING'. This is free software, and you are welcome to redistribute it under certain conditions; type 'cat COPYING' for details. Usage: mincbeast [options] <library dir> <input> <output> mincbeast -help Get this example to work? https://github.com/BIC-MNI/BEaST/blob/master/README.library 2.3 Source the minc-toolkit (if installed): $ source /opt/minc/minc-toolkit-config.sh 2.4 Generate library by running: $ beast_prepareADNIlib -flip <ADNI download directory> <BEaST library directory> Example: $ sudo beast_prepareADNIlib -flip Downloads/ADNI /opt/minc/share/beast-library-1.1 3. Test the setup 3.1 Normalize your data $ beast_normalize -modeldir /opt/minc/share/icbm152_model_09c input.mnc normal.mnc normal.xfm 3.2 Run BEaST $ mincbeast /opt/minc/share/beast-library-1.1 normal.mnc brainmask.mnc -conf /opt/minc/share/beast-library-1.1/default.2mm.conf -same_res """ probability_map = traits.Bool( desc='Output the probability map instead of crisp mask.', argstr='-probability') flip_images = traits.Bool( desc='Flip images around the mid-sagittal plane to increase patch count.', argstr='-flip') load_moments = traits.Bool( desc=('Do not calculate moments instead use precalculated' 'library moments. (for optimization purposes)'), argstr='-load_moments') fill_holes = traits.Bool( desc='Fill holes in the binary output.', argstr='-fill') median_filter = traits.Bool( desc='Apply a median filter on the probability map.', argstr='-median') nlm_filter = traits.Bool( desc='Apply an NLM filter on the probability map (experimental).', argstr='-nlm_filter') clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) configuration_file = traits.File( desc='Specify configuration file.', argstr='-configuration %s') voxel_size = traits.Int( 4, desc=('Specify voxel size for calculations (4, 2, or 1).' 'Default value: 4. Assumes no multiscale. Use configuration' 'file for multiscale.'), argstr='-voxel_size %s') abspath = traits.Bool( desc='File paths in the library are absolute (default is relative to library root).', argstr='-abspath', usedefault=True, default_value=True) patch_size = traits.Int( 1, desc='Specify patch size for single scale approach. Default value: 1.', argstr='-patch_size %s') search_area = traits.Int( 2, desc='Specify size of search area for single scale approach. Default value: 2.', argstr='-search_area %s') confidence_level_alpha = traits.Float( 0.5, desc='Specify confidence level Alpha. Default value: 0.5', argstr='-alpha %s') smoothness_factor_beta = traits.Float( 0.5, desc='Specify smoothness factor Beta. Default value: 0.25', argstr='-beta %s') threshold_patch_selection = traits.Float( 0.95, desc='Specify threshold for patch selection. Default value: 0.95', argstr='-threshold %s') number_selected_images = traits.Int( 20, desc='Specify number of selected images. Default value: 20', argstr='-selection_num %s') same_resolution = traits.Bool( desc='Output final mask with the same resolution as input file.', argstr='-same_resolution') library_dir = traits.Directory( desc='library directory', position=-3, argstr='%s', mandatory=True) input_file = traits.File( desc='input file', position=-2, argstr='%s', mandatory=True) output_file = traits.File( desc='output file', position=-1, argstr='%s', name_source=['input_file'], hash_files=False, name_template='%s_beast_mask.mnc') class BeastOutputSpec(TraitedSpec): output_file = File(desc='output mask file', exists=True) class Beast(CommandLine): """Extract brain image using BEaST (Brain Extraction using non-local Segmentation Technique). Examples -------- >>> from nipype.interfaces.minc import Beast >>> from nipype.interfaces.minc.testdata import nonempty_minc_data >>> file0 = nonempty_minc_data(0) >>> beast = Beast(input_file=file0) >>> beast .run() # doctest: +SKIP """ input_spec = BeastInputSpec output_spec = BeastOutputSpec _cmd = 'mincbeast' class PikInputSpec(CommandLineInputSpec): input_file = File( desc='input file', exists=True, mandatory=True, argstr='%s', position=-2,) _xor_image_type = ('jpg', 'png') jpg = traits.Bool(desc='Output a jpg file.', xor=_xor_image_type) png = traits.Bool(desc='Output a png file (default).', xor=_xor_image_type) output_file = File( desc='output file', argstr='%s', genfile=True, position=-1, name_source=['input_file'], hash_files=False, name_template='%s.png', keep_extension=False) clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) # FIXME not implemented: --verbose # --fake # --lookup ==> arguments to pass to minclookup scale = traits.Int( 2, desc=('Scaling factor for resulting image. By default images are' 'output at twice their original resolution.'), argstr='--scale %s') width = traits.Int( desc='Autoscale the resulting image to have a fixed image width (in pixels).', argstr='--width %s') depth = traits.Enum( 8, 16, desc='Bitdepth for resulting image 8 or 16 (MSB machines only!)', argstr='--depth %s') _xor_title = ('title_string', 'title_with_filename') title = traits.Either( traits.Bool(desc='Use input filename as title in resulting image.'), traits.Str(desc='Add a title to the resulting image.'), argstr='%s') # see _format_arg for actual arg string title_size = traits.Int( desc='Font point size for the title.', argstr='--title_size %s', requires=['title']) annotated_bar = traits.Bool( desc='create an annotated bar to match the image (use height of the output image)', argstr='--anot_bar') # FIXME tuple of floats? Not voxel values? Man page doesn't specify. minc_range = traits.Tuple( traits.Float, traits.Float, desc='Valid range of values for MINC file.', argstr='--range %s %s') _xor_image_range = ('image_range', 'auto_range') image_range = traits.Tuple( traits.Float, traits.Float, desc='Range of image values to use for pixel intensity.', argstr='--image_range %s %s', xor=_xor_image_range) auto_range = traits.Bool( desc='Automatically determine image range using a 5 and 95% PcT. (histogram)', argstr='--auto_range', xor=_xor_image_range) start = traits.Int( desc='Slice number to get. (note this is in voxel co-ordinates).', argstr='--slice %s') # FIXME Int is correct? _xor_slice = ('slice_z', 'slice_y', 'slice_x') slice_z = traits.Bool( desc='Get an axial/transverse (z) slice.', argstr='-z', xor=_xor_slice) slice_y = traits.Bool( desc='Get a coronal (y) slice.', argstr='-y', xor=_xor_slice) slice_x = traits.Bool( desc='Get a sagittal (x) slice.', argstr='-x', xor=_xor_slice) # FIXME typo in man page? sagital? triplanar = traits.Bool( desc='Create a triplanar view of the input file.', argstr='--triplanar') tile_size = traits.Int( desc='Pixel size for each image in a triplanar.', argstr='--tilesize %s') _xor_sagittal_offset = ('sagittal_offset', 'sagittal_offset_perc') sagittal_offset = traits.Int( desc='Offset the sagittal slice from the centre.', argstr='--sagittal_offset %s') sagittal_offset_perc = traits.Range( low=0, high=100, desc='Offset the sagittal slice by a percentage from the centre.', argstr='--sagittal_offset_perc %d', ) _xor_vertical_horizontal = ( 'vertical_triplanar_view', 'horizontal_triplanar_view') vertical_triplanar_view = traits.Bool( desc='Create a vertical triplanar view (Default).', argstr='--vertical', xor=_xor_vertical_horizontal) horizontal_triplanar_view = traits.Bool( desc='Create a horizontal triplanar view.', argstr='--horizontal', xor=_xor_vertical_horizontal) lookup = traits.Str( desc='Arguments to pass to minclookup', argstr='--lookup %s') class PikOutputSpec(TraitedSpec): output_file = File(desc='output image', exists=True) class Pik(CommandLine): """Generate images from minc files. Mincpik uses Imagemagick to generate images from Minc files. Examples -------- >>> from nipype.interfaces.minc import Pik >>> from nipype.interfaces.minc.testdata import nonempty_minc_data >>> file0 = nonempty_minc_data(0) >>> pik = Pik(input_file=file0, title='foo') >>> pik .run() # doctest: +SKIP """ input_spec = PikInputSpec output_spec = PikOutputSpec _cmd = 'mincpik' def _format_arg(self, name, spec, value): if name == 'title': if isinstance(value, bool) and value: return '--title' elif isinstance(value, str): return '--title --title_text %s' % (value,) else: raise ValueError( 'Unknown value for "title" argument: ' + str(value)) return super(Pik, self)._format_arg(name, spec, value) class BlurInputSpec(CommandLineInputSpec): input_file = File( desc='input file', exists=True, mandatory=True, argstr='%s', position=-2,) output_file_base = File( desc='output file base', argstr='%s', position=-1) clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) _xor_kernel = ('gaussian', 'rect') gaussian = traits.Bool( desc='Use a gaussian smoothing kernel (default).', argstr='-gaussian', xor=_xor_kernel) rect = traits.Bool( desc='Use a rect (box) smoothing kernel.', argstr='-rect', xor=_xor_kernel) gradient = traits.Bool( desc='Create the gradient magnitude volume as well.', argstr='-gradient') partial = traits.Bool( desc='Create the partial derivative and gradient magnitude volumes as well.', argstr='-partial') no_apodize = traits.Bool( desc='Do not apodize the data before blurring.', argstr='-no_apodize') _xor_main_options = ('fwhm', 'fwhm3d', 'standard_dev') fwhm = traits.Float( 0, desc='Full-width-half-maximum of gaussian kernel. Default value: 0.', argstr='-fwhm %s', xor=_xor_main_options, mandatory=True) standard_dev = traits.Float( 0, desc='Standard deviation of gaussian kernel. Default value: 0.', argstr='-standarddev %s', xor=_xor_main_options, mandatory=True) fwhm3d = traits.Tuple( traits.Float, traits.Float, traits.Float, argstr='-3dfwhm %s %s %s', desc=('Full-width-half-maximum of gaussian kernel.' 'Default value: -1.79769e+308 -1.79769e+308 -1.79769e+308.'), xor=_xor_main_options, mandatory=True) dimensions = traits.Enum( 1, 2, 3, desc='Number of dimensions to blur (either 1,2 or 3). Default value: 3.', argstr='-dimensions %s', default=3) class BlurOutputSpec(TraitedSpec): output_file = File(desc='Blurred output file.', exists=True) gradient_dxyz = File(desc='Gradient dxyz.') partial_dx = File(desc='Partial gradient dx.') partial_dy = File(desc='Partial gradient dy.') partial_dz = File(desc='Partial gradient dz.') partial_dxyz = File(desc='Partial gradient dxyz.') class Blur(StdOutCommandLine): """ Convolve an input volume with a Gaussian blurring kernel of user-defined width. Optionally, the first partial derivatives and the gradient magnitude volume can be calculated. Examples -------- >>> from nipype.interfaces.minc import Blur >>> from nipype.interfaces.minc.testdata import minc3Dfile (1) Blur an input volume with a 6mm fwhm isotropic Gaussian blurring kernel: >>> blur = Blur(input_file=minc3Dfile, fwhm=6, output_file_base='/tmp/out_6') >>> blur.run() # doctest: +SKIP mincblur will create /tmp/out_6_blur.mnc. (2) Calculate the blurred and gradient magnitude data: >>> blur = Blur(input_file=minc3Dfile, fwhm=6, gradient=True, output_file_base='/tmp/out_6') >>> blur.run() # doctest: +SKIP will create /tmp/out_6_blur.mnc and /tmp/out_6_dxyz.mnc. (3) Calculate the blurred data, the partial derivative volumes and the gradient magnitude for the same data: >>> blur = Blur(input_file=minc3Dfile, fwhm=6, partial=True, output_file_base='/tmp/out_6') >>> blur.run() # doctest: +SKIP will create /tmp/out_6_blur.mnc, /tmp/out_6_dx.mnc, /tmp/out_6_dy.mnc, /tmp/out_6_dz.mnc and /tmp/out_6_dxyz.mnc. """ input_spec = BlurInputSpec output_spec = BlurOutputSpec _cmd = 'mincblur' def _gen_output_base(self): output_file_base = self.inputs.output_file_base if isdefined(output_file_base): return output_file_base else: base_file_name = os.path.split(self.inputs.input_file)[ 1] # e.g. 'foo.mnc' base_file_name_no_ext = os.path.splitext( base_file_name)[0] # e.g. 'foo' output_base = os.path.join( os.getcwd(), base_file_name_no_ext + '_bluroutput') # e.g. '/tmp/blah/foo_bluroutput' # return os.path.splitext(self.inputs.input_file)[0] + # '_bluroutput' return output_base def _list_outputs(self): outputs = self.output_spec().get() output_file_base = self._gen_output_base() outputs['output_file'] = output_file_base + '_blur.mnc' if isdefined(self.inputs.gradient): outputs['gradient_dxyz'] = output_file_base + '_dxyz.mnc' if isdefined(self.inputs.partial): outputs['partial_dx'] = output_file_base + '_dx.mnc' outputs['partial_dy'] = output_file_base + '_dy.mnc' outputs['partial_dz'] = output_file_base + '_dz.mnc' outputs['partial_dxyz'] = output_file_base + '_dxyz.mnc' return outputs @property def cmdline(self): output_file_base = self.inputs.output_file_base if isdefined(output_file_base): return super(Blur, self).cmdline else: # FIXME this seems like a bit of a hack. Can we force output_file # to show up in cmdline by default, even if it isn't specified in # the instantiation of Pik? return '%s %s' % (super(Blur, self).cmdline, self._gen_output_base()) class MathInputSpec(CommandLineInputSpec): _xor_input_files = ('input_files', 'filelist') input_files = InputMultiPath( traits.File(exists=True), desc='input file(s) for calculation', mandatory=True, sep=' ', argstr='%s', position=-2, xor=_xor_input_files) output_file = File( desc='output file', argstr='%s', genfile=True, position=-1, name_source=['input_files'], hash_files=False, name_template='%s_mincmath.mnc') filelist = traits.File( desc='Specify the name of a file containing input file names.', argstr='-filelist %s', exists=True, mandatory=True, xor=_xor_input_files) clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) two = traits.Bool(desc='Create a MINC 2 output file.', argstr='-2') _xor_copy_header = ('copy_header', 'no_copy_header') copy_header = traits.Bool( desc='Copy all of the header from the first file (default for one file).', argstr='-copy_header', xor=_xor_copy_header) no_copy_header = traits.Bool( desc='Do not copy all of the header from the first file (default for many files)).', argstr='-nocopy_header', xor=_xor_copy_header) _xor_format = ( 'format_filetype', 'format_byte', 'format_short', 'format_int', 'format_long', 'format_float', 'format_double', 'format_signed', 'format_unsigned', ) format_filetype = traits.Bool( desc='Use data type of first file (default).', argstr='-filetype', xor=_xor_format) format_byte = traits.Bool( desc='Write out byte data.', argstr='-byte', xor=_xor_format) format_short = traits.Bool( desc='Write out short integer data.', argstr='-short', xor=_xor_format) format_int = traits.Bool( desc='Write out 32-bit integer data.', argstr='-int', xor=_xor_format) format_long = traits.Bool( desc='Superseded by -int.', argstr='-long', xor=_xor_format) format_float = traits.Bool( desc='Write out single-precision floating-point data.', argstr='-float', xor=_xor_format) format_double = traits.Bool( desc='Write out double-precision floating-point data.', argstr='-double', xor=_xor_format) format_signed = traits.Bool( desc='Write signed integer data.', argstr='-signed', xor=_xor_format) format_unsigned = traits.Bool( desc='Write unsigned integer data (default).', argstr='-unsigned', xor=_xor_format) voxel_range = traits.Tuple( traits.Int, traits.Int, argstr='-range %d %d', desc='Valid range for output data.') max_buffer_size_in_kb = traits.Range( low=0, desc='Specify the maximum size of the internal buffers (in kbytes).', value=4096, argstr='-max_buffer_size_in_kb %d',) _xor_check_dimensions = ('check_dimensions', 'no_check_dimensions',) check_dimensions = traits.Bool( desc='Check that dimension info matches across files (default).', argstr='-check_dimensions', xor=_xor_check_dimensions) no_check_dimensions = traits.Bool( desc='Do not check dimension info.', argstr='-nocheck_dimensions', xor=_xor_check_dimensions) dimension = traits.Str( desc='Specify a dimension along which we wish to perform a calculation.', argstr='-dimension %s') # FIXME Is it sensible to use ignore_nan and propagate_nan at the same # time? Document this. ignore_nan = traits.Bool( desc='Ignore invalid data (NaN) for accumulations.', argstr='-ignore_nan') propagate_nan = traits.Bool( desc='Invalid data in any file at a voxel produces a NaN (default).', argstr='-propagate_nan') # FIXME Double-check that these are mutually exclusive? _xor_nan_zero_illegal = ( 'output_nan', 'output_zero', 'output_illegal_value') output_nan = traits.Bool( desc='Output NaN when an illegal operation is done (default).', argstr='-nan', xor=_xor_nan_zero_illegal) output_zero = traits.Bool( desc='Output zero when an illegal operation is done.', argstr='-zero', xor=_xor_nan_zero_illegal) output_illegal = traits.Bool( desc=('Value to write out when an illegal operation' 'is done. Default value: 1.79769e+308'), argstr='-illegal_value', xor=_xor_nan_zero_illegal) # FIXME A whole bunch of the parameters will be mutually exclusive, e.g. surely can't do sqrt and abs at the same time? # Or does mincmath do one and then the next? ########################################################################## # Traits that expect a bool (compare two volumes) or constant (manipulate one volume) # ########################################################################## bool_or_const_traits = [ 'test_gt', 'test_lt', 'test_eq', 'test_ne', 'test_ge', 'test_le', 'calc_add', 'calc_sub', 'calc_mul', 'calc_div'] test_gt = traits.Either( traits.Bool(), traits.Float(), desc='Test for vol1 > vol2 or vol1 > constant.', argstr='-gt') test_lt = traits.Either( traits.Bool(), traits.Float(), desc='Test for vol1 < vol2 or vol1 < constant.', argstr='-lt') test_eq = traits.Either( traits.Bool(), traits.Float(), desc='Test for integer vol1 == vol2 or vol1 == constant.', argstr='-eq') test_ne = traits.Either( traits.Bool(), traits.Float(), desc='Test for integer vol1 != vol2 or vol1 != const.', argstr='-ne') test_ge = traits.Either( traits.Bool(), traits.Float(), desc='Test for vol1 >= vol2 or vol1 >= const.', argstr='-ge') test_le = traits.Either( traits.Bool(), traits.Float(), desc='Test for vol1 <= vol2 or vol1 <= const.', argstr='-le') calc_add = traits.Either( traits.Bool(), traits.Float(), desc='Add N volumes or volume + constant.', argstr='-add') calc_sub = traits.Either( traits.Bool(), traits.Float(), desc='Subtract 2 volumes or volume - constant.', argstr='-sub') calc_mul = traits.Either( traits.Bool(), traits.Float(), desc='Multiply N volumes or volume * constant.', argstr='-mult') calc_div = traits.Either( traits.Bool(), traits.Float(), desc='Divide 2 volumes or volume / constant.', argstr='-div') ###################################### # Traits that expect a single volume # ###################################### single_volume_traits = [ 'invert', 'calc_not', 'sqrt', 'square', 'abs', 'exp', 'log', 'scale', 'clamp', 'segment', 'nsegment', 'isnan', 'isnan'] # FIXME enforce this in _parse_inputs and check for other members invert = traits.Either( traits.Float(), desc='Calculate 1/c.', argstr='-invert -const %s') calc_not = traits.Bool(desc='Calculate !vol1.', argstr='-not') sqrt = traits.Bool(desc='Take square root of a volume.', argstr='-sqrt') square = traits.Bool(desc='Take square of a volume.', argstr='-square') abs = traits.Bool(desc='Take absolute value of a volume.', argstr='-abs') exp = traits.Tuple( traits.Float, traits.Float, argstr='-exp -const2 %s %s', desc='Calculate c2*exp(c1*x). Both constants must be specified.') log = traits.Tuple( traits.Float, traits.Float, argstr='-log -const2 %s %s', desc='Calculate log(x/c2)/c1. The constants c1 and c2 default to 1.') scale = traits.Tuple( traits.Float, traits.Float, argstr='-scale -const2 %s %s', desc='Scale a volume: volume * c1 + c2.') clamp = traits.Tuple( traits.Float, traits.Float, argstr='-clamp -const2 %s %s', desc='Clamp a volume to lie between two values.') segment = traits.Tuple( traits.Float, traits.Float, argstr='-segment -const2 %s %s', desc='Segment a volume using range of -const2: within range = 1, outside range = 0.') nsegment = traits.Tuple( traits.Float, traits.Float, argstr='-nsegment -const2 %s %s', desc='Opposite of -segment: within range = 0, outside range = 1.') isnan = traits.Bool(desc='Test for NaN values in vol1.', argstr='-isnan') nisnan = traits.Bool(desc='Negation of -isnan.', argstr='-nisnan') ############################################ # Traits that expect precisely two volumes # ############################################ two_volume_traits = ['percentdiff'] percentdiff = traits.Float( desc='Percent difference between 2 volumes, thresholded (const def=0.0).', argstr='-percentdiff') ##################################### # Traits that expect N >= 1 volumes # ##################################### n_volume_traits = [ 'count_valid', 'maximum', 'minimum', 'calc_add', 'calc_or'] count_valid = traits.Bool( desc='Count the number of valid values in N volumes.', argstr='-count_valid') maximum = traits.Bool(desc='Find maximum of N volumes.', argstr='-maximum') minimum = traits.Bool(desc='Find minimum of N volumes.', argstr='-minimum') calc_and = traits.Bool( desc='Calculate vol1 && vol2 (&& ...).', argstr='-and') calc_or = traits.Bool( desc='Calculate vol1 || vol2 (|| ...).', argstr='-or') class MathOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) class Math(StdOutCommandLine): """ Various mathematical operations supplied by mincmath. Examples -------- >>> from nipype.interfaces.minc import Math >>> from nipype.interfaces.minc.testdata import minc2Dfile Scale: volume*3.0 + 2: >>> scale = Math(input_files=[minc2Dfile], scale=(3.0, 2)) >>> scale.run() # doctest: +SKIP Test if >= 1.5: >>> gt = Math(input_files=[minc2Dfile], test_gt=1.5) >>> gt.run() # doctest: +SKIP """ input_spec = MathInputSpec output_spec = MathOutputSpec _cmd = 'mincmath' def _format_arg(self, name, spec, value): assert value is not None if name in self.input_spec.bool_or_const_traits: # t is unused, what was I trying to do with it? # t = self.inputs.__getattribute__(name) if isinstance(value, bool) and value: return spec.argstr elif isinstance(value, bool) and not value: raise ValueError( 'Does not make sense to specify %s=False' % (name,)) elif isinstance(value, float): return '%s -const %s' % (spec.argstr, value,) else: raise ValueError('Invalid %s argument: %s' % (name, value,)) return super(Math, self)._format_arg(name, spec, value) def _parse_inputs(self): """A number of the command line options expect precisely one or two files. """ nr_input_files = len(self.inputs.input_files) for n in self.input_spec.bool_or_const_traits: t = self.inputs.__getattribute__(n) if isdefined(t): if isinstance(t, bool): if nr_input_files != 2: raise ValueError( 'Due to the %s option we expected 2 files but input_files is of length %d' % (n, nr_input_files,)) elif isinstance(t, float): if nr_input_files != 1: raise ValueError( 'Due to the %s option we expected 1 file but input_files is of length %d' % (n, nr_input_files,)) else: raise ValueError( 'Argument should be a bool or const, but got: %s' % t) for n in self.input_spec.single_volume_traits: t = self.inputs.__getattribute__(n) if isdefined(t): if nr_input_files != 1: raise ValueError( 'Due to the %s option we expected 1 file but input_files is of length %d' % (n, nr_input_files,)) for n in self.input_spec.two_volume_traits: t = self.inputs.__getattribute__(n) if isdefined(t): if nr_input_files != 2: raise ValueError( 'Due to the %s option we expected 2 files but input_files is of length %d' % (n, nr_input_files,)) for n in self.input_spec.n_volume_traits: t = self.inputs.__getattribute__(n) if isdefined(t): if not nr_input_files >= 1: raise ValueError( 'Due to the %s option we expected at least one file but input_files is of length %d' % (n, nr_input_files,)) return super(Math, self)._parse_inputs() class ResampleInputSpec(CommandLineInputSpec): """ not implemented: -size: synonym for -nelements) -xsize: synonym for -xnelements -ysize: synonym for -ynelements -zsize: synonym for -ynelements """ input_file = File( desc='input file for resampling', exists=True, mandatory=True, argstr='%s', position=-2,) output_file = File( desc='output file', genfile=True, argstr='%s', position=-1, name_source=['input_file'], hash_files=False, name_template='%s_resample.mnc') # This is a dummy input. input_grid_files = InputMultiPath( traits.File, desc='input grid file(s)',) two = traits.Bool(desc='Create a MINC 2 output file.', argstr='-2') clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) _xor_interpolation = ( 'trilinear_interpolation', 'tricubic_interpolation', 'nearest_neighbour_interpolation', 'sinc_interpolation') trilinear_interpolation = traits.Bool( desc='Do trilinear interpolation.', argstr='-trilinear', xor=_xor_interpolation) tricubic_interpolation = traits.Bool( desc='Do tricubic interpolation.', argstr='-tricubic', xor=_xor_interpolation) nearest_neighbour_interpolation = traits.Bool( desc='Do nearest neighbour interpolation.', argstr='-nearest_neighbour', xor=_xor_interpolation) sinc_interpolation = traits.Bool( desc='Do windowed sinc interpolation.', argstr='-sinc', xor=_xor_interpolation) half_width_sinc_window = traits.Enum( 5, 1, 2, 3, 4, 6, 7, 8, 9, 10, desc='Set half-width of sinc window (1-10). Default value: 5.', argstr='-width %s', requires=['sinc_interpolation']) _xor_sinc_window_type = ('sinc_window_hanning', 'sinc_window_hamming') sinc_window_hanning = traits.Bool( desc='Set sinc window type to Hanning.', argstr='-hanning', xor=_xor_sinc_window_type, requires=['sinc_interpolation']) sinc_window_hamming = traits.Bool( desc='Set sinc window type to Hamming.', argstr='-hamming', xor=_xor_sinc_window_type, requires=['sinc_interpolation']) transformation = traits.File( desc='File giving world transformation. (Default = identity).', exists=True, argstr='-transformation %s') invert_transformation = traits.Bool( desc='Invert the transformation before using it.', argstr='-invert_transformation') _xor_input_sampling = ('vio_transform', 'no_input_sampling') vio_transform = traits.Bool( desc='VIO_Transform the input sampling with the transform (default).', argstr='-tfm_input_sampling', xor=_xor_input_sampling) no_input_sampling = traits.Bool( desc='Use the input sampling without transforming (old behaviour).', argstr='-use_input_sampling', xor=_xor_input_sampling) like = traits.File( desc='Specifies a model file for the resampling.', argstr='-like %s', exists=True) _xor_format = ( 'format_byte', 'format_short', 'format_int', 'format_long', 'format_float', 'format_double', 'format_signed', 'format_unsigned', ) format_byte = traits.Bool( desc='Write out byte data.', argstr='-byte', xor=_xor_format) format_short = traits.Bool( desc='Write out short integer data.', argstr='-short', xor=_xor_format) format_int = traits.Bool( desc='Write out 32-bit integer data.', argstr='-int', xor=_xor_format) format_long = traits.Bool( desc='Superseded by -int.', argstr='-long', xor=_xor_format) format_float = traits.Bool( desc='Write out single-precision floating-point data.', argstr='-float', xor=_xor_format) format_double = traits.Bool( desc='Write out double-precision floating-point data.', argstr='-double', xor=_xor_format) format_signed = traits.Bool( desc='Write signed integer data.', argstr='-signed', xor=_xor_format) format_unsigned = traits.Bool( desc='Write unsigned integer data (default).', argstr='-unsigned', xor=_xor_format) output_range = traits.Tuple( traits.Float, traits.Float, argstr='-range %s %s', desc='Valid range for output data. Default value: -1.79769e+308 -1.79769e+308.') _xor_slices = ('transverse', 'sagittal', 'coronal') transverse_slices = traits.Bool( desc='Write out transverse slices.', argstr='-transverse', xor=_xor_slices) sagittal_slices = traits.Bool( desc='Write out sagittal slices', argstr='-sagittal', xor=_xor_slices) coronal_slices = traits.Bool( desc='Write out coronal slices', argstr='-coronal', xor=_xor_slices) _xor_fill = ('nofill', 'fill') no_fill = traits.Bool( desc='Use value zero for points outside of input volume.', argstr='-nofill', xor=_xor_fill) fill = traits.Bool( desc='Use a fill value for points outside of input volume.', argstr='-fill', xor=_xor_fill) fill_value = traits.Float( desc=('Specify a fill value for points outside of input volume.' 'Default value: 1.79769e+308.'), argstr='-fillvalue %s', requires=['fill']) _xor_scale = ('keep_real_range', 'nokeep_real_range') keep_real_range = traits.Bool( desc='Keep the real scale of the input volume.', argstr='-keep_real_range', xor=_xor_scale) nokeep_real_range = traits.Bool( desc='Do not keep the real scale of the data (default).', argstr='-nokeep_real_range', xor=_xor_scale) _xor_spacetype = ('spacetype', 'talairach') spacetype = traits.Str( desc='Set the spacetype attribute to a specified string.', argstr='-spacetype %s') talairach = traits.Bool( desc='Output is in Talairach space.', argstr='-talairach') origin = traits.Tuple( traits.Float, traits.Float, traits.Float, desc=('Origin of first pixel in 3D space.' 'Default value: 1.79769e+308 1.79769e+308 1.79769e+308.'), argstr='-origin %s %s %s') standard_sampling = traits.Bool( desc='Set the sampling to standard values (step, start and dircos).', argstr='-standard_sampling') # FIXME Bool? units = traits.Str( desc='Specify the units of the output sampling.', argstr='-units %s') # FIXME String? # Elements along each dimension. # FIXME Ints? Ranges? # FIXME Check that this xor behaves correctly. _xor_nelements = ('nelements', 'nelements_x_y_or_z') # nr elements along each dimension nelements = traits.Tuple( traits.Int, traits.Int, traits.Int, desc='Number of elements along each dimension (X, Y, Z).', argstr='-nelements %s %s %s', xor=_xor_nelements) # FIXME Is mincresample happy if we only specify one of these, or do we # need the requires=...? xnelements = traits.Int( desc='Number of elements along the X dimension.', argstr='-xnelements %s', requires=('ynelements', 'znelements'), xor=_xor_nelements) ynelements = traits.Int(desc='Number of elements along the Y dimension.', argstr='-ynelements %s', requires=('xnelements', 'znelements'), xor=_xor_nelements) znelements = traits.Int(desc='Number of elements along the Z dimension.', argstr='-znelements %s', requires=('xnelements', 'ynelements'), xor=_xor_nelements) # step size along each dimension _xor_step = ('step', 'step_x_y_or_z') step = traits.Tuple( traits.Int, traits.Int, traits.Int, desc='Step size along each dimension (X, Y, Z). Default value: (0, 0, 0).', argstr='-step %s %s %s', xor=_xor_nelements) # FIXME Use the requires=...? xstep = traits.Int( desc='Step size along the X dimension. Default value: 0.', argstr='-xstep %s', requires=('ystep', 'zstep'), xor=_xor_step) ystep = traits.Int( desc='Step size along the Y dimension. Default value: 0.', argstr='-ystep %s', requires=( 'xstep', 'zstep'), xor=_xor_step) zstep = traits.Int( desc='Step size along the Z dimension. Default value: 0.', argstr='-zstep %s', requires=( 'xstep', 'ystep'), xor=_xor_step) # start point along each dimension _xor_start = ('start', 'start_x_y_or_z') start = traits.Tuple( traits.Float, traits.Float, traits.Float, desc=('Start point along each dimension (X, Y, Z).' 'Default value: 1.79769e+308 1.79769e+308 1.79769e+308.'), argstr='-start %s %s %s', xor=_xor_nelements) # FIXME Use the requires=...? xstart = traits.Float( desc='Start point along the X dimension. Default value: 1.79769e+308.', argstr='-xstart %s', requires=('ystart', 'zstart'), xor=_xor_start) ystart = traits.Float( desc='Start point along the Y dimension. Default value: 1.79769e+308.', argstr='-ystart %s', requires=( 'xstart', 'zstart'), xor=_xor_start) zstart = traits.Float( desc='Start point along the Z dimension. Default value: 1.79769e+308.', argstr='-zstart %s', requires=( 'xstart', 'ystart'), xor=_xor_start) # dircos along each dimension _xor_dircos = ('dircos', 'dircos_x_y_or_z') dircos = traits.Tuple( traits.Float, traits.Float, traits.Float, desc=('Direction cosines along each dimension (X, Y, Z). Default value:' '1.79769e+308 1.79769e+308 1.79769e+308 1.79769e+308 ...' ' 1.79769e+308 1.79769e+308 1.79769e+308 1.79769e+308 1.79769e+308.'), argstr='-dircos %s %s %s', xor=_xor_nelements) # FIXME Use the requires=...? xdircos = traits.Float( desc=('Direction cosines along the X dimension.' 'Default value: 1.79769e+308 1.79769e+308 1.79769e+308.'), argstr='-xdircos %s', requires=( 'ydircos', 'zdircos'), xor=_xor_dircos) ydircos = traits.Float( desc=('Direction cosines along the Y dimension.' 'Default value: 1.79769e+308 1.79769e+308 1.79769e+308.'), argstr='-ydircos %s', requires=( 'xdircos', 'zdircos'), xor=_xor_dircos) zdircos = traits.Float( desc=('Direction cosines along the Z dimension.' 'Default value: 1.79769e+308 1.79769e+308 1.79769e+308.'), argstr='-zdircos %s', requires=( 'xdircos', 'ydircos'), xor=_xor_dircos) class ResampleOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) class Resample(StdOutCommandLine): """ Resample a minc file.' Examples -------- >>> from nipype.interfaces.minc import Resample >>> from nipype.interfaces.minc.testdata import minc2Dfile >>> r = Resample(input_file=minc2Dfile, output_file='/tmp/out.mnc') # Resample the file. >>> r.run() # doctest: +SKIP """ input_spec = ResampleInputSpec output_spec = ResampleOutputSpec _cmd = 'mincresample' class NormInputSpec(CommandLineInputSpec): """ Not implemented: -version print version and exit -verbose be verbose -noverbose opposite of -verbose [default] -quiet be quiet -noquiet opposite of -quiet [default] -fake do a dry run, (echo cmds only) -nofake opposite of -fake [default] """ input_file = File( desc='input file to normalise', exists=True, mandatory=True, argstr='%s', position=-2,) output_file = File( desc='output file', genfile=True, argstr='%s', position=-1, name_source=['input_file'], hash_files=False, name_template='%s_norm.mnc') output_threshold_mask = traits.File( desc='File in which to store the threshold mask.', argstr='-threshold_mask %s', name_source=['input_file'], hash_files=False, name_template='%s_norm_threshold_mask.mnc') clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) # Normalisation Options mask = traits.File( desc='Calculate the image normalisation within a mask.', argstr='-mask %s', exists=True) clamp = traits.Bool( desc='Force the ouput range between limits [default].', argstr='-clamp', usedefault=True, default_value=True) cutoff = traits.Range( low=0.0, high=100.0, desc='Cutoff value to use to calculate thresholds by a histogram PcT in %. [default: 0.01]', argstr='-cutoff %s', ) lower = traits.Float(desc='Lower real value to use.', argstr='-lower %s') upper = traits.Float(desc='Upper real value to use.', argstr='-upper %s') out_floor = traits.Float( desc='Output files maximum [default: 0]', argstr='-out_floor %s') # FIXME is this a float? out_ceil = traits.Float( desc='Output files minimum [default: 100]', argstr='-out_ceil %s') # FIXME is this a float? # Threshold Options threshold = traits.Bool( desc='Threshold the image (set values below threshold_perc to -out_floor).', argstr='-threshold') threshold_perc = traits.Range( low=0.0, high=100.0, desc='Threshold percentage (0.1 == lower 10% of intensity range) [default: 0.1].', argstr='-threshold_perc %s') threshold_bmt = traits.Bool( desc='Use the resulting image BiModalT as the threshold.', argstr='-threshold_bmt') threshold_blur = traits.Float( desc='Blur FWHM for intensity edges then thresholding [default: 2].', argstr='-threshold_blur %s') class NormOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) output_threshold_mask = File(desc='threshold mask file') class Norm(CommandLine): """Normalise a file between a max and minimum (possibly) using two histogram pct's. Examples -------- >>> from nipype.interfaces.minc import Norm >>> from nipype.interfaces.minc.testdata import minc2Dfile >>> n = Norm(input_file=minc2Dfile, output_file='/tmp/out.mnc') # Normalise the file. >>> n.run() # doctest: +SKIP """ input_spec = NormInputSpec output_spec = NormOutputSpec _cmd = 'mincnorm' """ | volcentre will centre a MINC image's sampling about a point (0,0,0 typically) | | NB: It will modify the file in-place unless an outfile is given | | Problems or comments should be sent to: a.janke@gmail.com Summary of options: -version print version and exit -verbose be verbose -noverbose opposite of -verbose [default] -clobber clobber existing check files -noclobber opposite of -clobber [default] -fake do a dry run, (echo cmds only) -nofake opposite of -fake [default] -com Use the CoM of the volume for the new centre (via mincstats) -nocom opposite of -com [default] -centre <float> <float> <float> Centre to use (x,y,z) [default: 0 0 0] -zero_dircos Set the direction cosines to identity [default] -nozero_dirco opposite of -zero_dircos Usage: volcentre [options] <infile.mnc> [<outfile.mnc>] volcentre -help to list options """ class VolcentreInputSpec(CommandLineInputSpec): """ Not implemented: -fake do a dry run, (echo cmds only) -nofake opposite of -fake [default] """ input_file = File( desc='input file to centre', exists=True, mandatory=True, argstr='%s', position=-2,) output_file = File( desc='output file', genfile=True, argstr='%s', position=-1, name_source=['input_file'], hash_files=False, name_template='%s_volcentre.mnc') verbose = traits.Bool( desc='Print out log messages. Default: False.', argstr='-verbose') clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) com = traits.Bool( desc='Use the CoM of the volume for the new centre (via mincstats). Default: False', argstr='-com') centre = traits.Tuple( traits.Float, traits.Float, traits.Float, argstr='-centre %s %s %s', desc='Centre to use (x,y,z) [default: 0 0 0].',) zero_dircos = traits.Bool( desc='Set the direction cosines to identity [default].', argstr='-zero_dircos') class VolcentreOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) class Volcentre(CommandLine): """Centre a MINC image's sampling about a point, typically (0,0,0). Example -------- >>> from nipype.interfaces.minc import Volcentre >>> from nipype.interfaces.minc.testdata import minc2Dfile >>> vc = Volcentre(input_file=minc2Dfile) >>> vc.run() # doctest: +SKIP """ input_spec = VolcentreInputSpec output_spec = VolcentreOutputSpec _cmd = 'volcentre' class VolpadInputSpec(CommandLineInputSpec): """ Not implemented: -fake do a dry run, (echo cmds only) -nofake opposite of -fake [default] | volpad pads a MINC volume | | Problems or comments should be sent to: a.janke@gmail.com Summary of options: -- General Options ------------------------------------------------------------- -verbose be verbose -noverbose opposite of -verbose [default] -clobber clobber existing files -noclobber opposite of -clobber [default] -fake do a dry run, (echo cmds only) -nofake opposite of -fake [default] """ input_file = File( desc='input file to centre', exists=True, mandatory=True, argstr='%s', position=-2,) output_file = File( desc='output file', genfile=True, argstr='%s', position=-1, name_source=['input_file'], hash_files=False, name_template='%s_volpad.mnc') verbose = traits.Bool( desc='Print out log messages. Default: False.', argstr='-verbose') clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) auto = traits.Bool( desc='Automatically determine padding distances (uses -distance as max). Default: False.', argstr='-auto') auto_freq = traits.Float( desc='Frequency of voxels over bimodalt threshold to stop at [default: 500].', argstr='-auto_freq %s') distance = traits.Int( desc='Padding distance (in voxels) [default: 4].', argstr='-distance %s') smooth = traits.Bool( desc='Smooth (blur) edges before padding. Default: False.', argstr='-smooth') smooth_distance = traits.Int( desc='Smoothing distance (in voxels) [default: 4].', argstr='-smooth_distance %s') class VolpadOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) class Volpad(CommandLine): """Centre a MINC image's sampling about a point, typically (0,0,0). Examples -------- >>> from nipype.interfaces.minc import Volpad >>> from nipype.interfaces.minc.testdata import minc2Dfile >>> vp = Volpad(input_file=minc2Dfile, smooth=True, smooth_distance=4) >>> vp.run() # doctest: +SKIP """ input_spec = VolpadInputSpec output_spec = VolpadOutputSpec _cmd = 'volpad' class VolisoInputSpec(CommandLineInputSpec): input_file = File( desc='input file to convert to isotropic sampling', exists=True, mandatory=True, argstr='%s', position=-2,) output_file = File( desc='output file', genfile=True, argstr='%s', position=-1, name_source=['input_file'], hash_files=False, name_template='%s_voliso.mnc') verbose = traits.Bool( desc='Print out log messages. Default: False.', argstr='--verbose') clobber = traits.Bool( desc='Overwrite existing file.', argstr='--clobber', usedefault=True, default_value=True) maxstep = traits.Float( desc='The target maximum step desired in the output volume.', argstr='--maxstep %s') minstep = traits.Float( desc='The target minimum step desired in the output volume.', argstr='--minstep %s') avgstep = traits.Bool( desc='Calculate the maximum step from the average steps of the input volume.', argstr='--avgstep') class VolisoOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) class Voliso(CommandLine): """Changes the steps and starts in order that the output volume has isotropic sampling. Examples -------- >>> from nipype.interfaces.minc import Voliso >>> from nipype.interfaces.minc.testdata import minc2Dfile >>> viso = Voliso(input_file=minc2Dfile, minstep=0.1, avgstep=True) >>> viso.run() # doctest: +SKIP """ input_spec = VolisoInputSpec output_spec = VolisoOutputSpec _cmd = 'voliso' class GennlxfmInputSpec(CommandLineInputSpec): output_file = File( desc='output file', genfile=True, argstr='%s', position=-1, name_source=['like'], hash_files=False, name_template='%s_gennlxfm.xfm') verbose = traits.Bool( desc='Print out log messages. Default: False.', argstr='-verbose') clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) ident = traits.Bool( desc='Generate an identity xfm. Default: False.', argstr='-ident') step = traits.Int( desc='Output ident xfm step [default: 1].', argstr='-step %s') like = File(desc='Generate a nlxfm like this file.', exists=True, argstr='-like %s',) class GennlxfmOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) output_grid = File(desc='output grid', exists=True) class Gennlxfm(CommandLine): """Generate nonlinear xfms. Currently only identity xfms are supported! This tool is part of minc-widgets: https://github.com/BIC-MNI/minc-widgets/blob/master/gennlxfm/gennlxfm Examples -------- >>> from nipype.interfaces.minc import Gennlxfm >>> from nipype.interfaces.minc.testdata import minc2Dfile >>> gennlxfm = Gennlxfm(step=1, like=minc2Dfile) >>> gennlxfm.run() # doctest: +SKIP """ input_spec = GennlxfmInputSpec output_spec = GennlxfmOutputSpec _cmd = 'gennlxfm' def _list_outputs(self): outputs = super(Gennlxfm, self)._list_outputs() outputs['output_grid'] = re.sub( '.(nlxfm|xfm)$', '_grid_0.mnc', outputs['output_file']) return outputs class XfmConcatInputSpec(CommandLineInputSpec): input_files = InputMultiPath( traits.File(exists=True), desc='input file(s)', mandatory=True, sep=' ', argstr='%s', position=-2) # This is a dummy input. input_grid_files = InputMultiPath( traits.File, desc='input grid file(s)',) output_file = File( desc='output file', genfile=True, argstr='%s', position=-1, name_source=['input_files'], hash_files=False, name_template='%s_xfmconcat.xfm') verbose = traits.Bool( desc='Print out log messages. Default: False.', argstr='-verbose') clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) class XfmConcatOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) output_grids = OutputMultiPath(File(exists=True), desc='output grids') class XfmConcat(CommandLine): """Concatenate transforms together. The output transformation is equivalent to applying input1.xfm, then input2.xfm, ..., in that order. Examples -------- >>> from nipype.interfaces.minc import XfmConcat >>> from nipype.interfaces.minc.testdata import minc2Dfile >>> conc = XfmConcat(input_files=['input1.xfm', 'input1.xfm']) >>> conc.run() # doctest: +SKIP """ input_spec = XfmConcatInputSpec output_spec = XfmConcatOutputSpec _cmd = 'xfmconcat' def _list_outputs(self): outputs = super(XfmConcat, self)._list_outputs() if os.path.exists(outputs['output_file']): if 'grid' in open(outputs['output_file'], 'r').read(): outputs['output_grids'] = glob.glob( re.sub( '.(nlxfm|xfm)$', '_grid_*.mnc', outputs['output_file'])) return outputs class BestLinRegInputSpec(CommandLineInputSpec): source = File( desc='source Minc file', exists=True, mandatory=True, argstr='%s', position=-4,) target = File( desc='target Minc file', exists=True, mandatory=True, argstr='%s', position=-3,) output_xfm = File( desc='output xfm file', genfile=True, argstr='%s', position=-2, name_source=['source'], hash_files=False, name_template='%s_bestlinreg.xfm', keep_extension=False) output_mnc = File( desc='output mnc file', genfile=True, argstr='%s', position=-1, name_source=['source'], hash_files=False, name_template='%s_bestlinreg.mnc', keep_extension=False) verbose = traits.Bool( desc='Print out log messages. Default: False.', argstr='-verbose') clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) # FIXME Very bare implementation, none of these are done yet: """ -init_xfm initial transformation (default identity) -source_mask source mask to use during fitting -target_mask target mask to use during fitting -lsq9 use 9-parameter transformation (default) -lsq12 use 12-parameter transformation (default -lsq9) -lsq6 use 6-parameter transformation """ class BestLinRegOutputSpec(TraitedSpec): output_xfm = File(desc='output xfm file', exists=True) output_mnc = File(desc='output mnc file', exists=True) class BestLinReg(CommandLine): """Hierachial linear fitting between two files. The bestlinreg script is part of the EZminc package: https://github.com/BIC-MNI/EZminc/blob/master/scripts/bestlinreg.pl Examples -------- >>> from nipype.interfaces.minc import BestLinReg >>> from nipype.interfaces.minc.testdata import nonempty_minc_data >>> input_file = nonempty_minc_data(0) >>> target_file = nonempty_minc_data(1) >>> linreg = BestLinReg(source=input_file, target=target_file) >>> linreg.run() # doctest: +SKIP """ input_spec = BestLinRegInputSpec output_spec = BestLinRegOutputSpec _cmd = 'bestlinreg' class NlpFitInputSpec(CommandLineInputSpec): source = File( desc='source Minc file', exists=True, mandatory=True, argstr='%s', position=-3,) target = File( desc='target Minc file', exists=True, mandatory=True, argstr='%s', position=-2,) output_xfm = File( desc='output xfm file', genfile=True, argstr='%s', position=-1,) # This is a dummy input. input_grid_files = InputMultiPath( traits.File, desc='input grid file(s)',) config_file = File( desc='File containing the fitting configuration use.', argstr='-config_file %s', mandatory=True, exists=True) init_xfm = File( desc='Initial transformation (default identity).', argstr='-init_xfm %s', mandatory=True, exists=True) source_mask = File( desc='Source mask to use during fitting.', argstr='-source_mask %s', mandatory=True, exists=True) verbose = traits.Bool( desc='Print out log messages. Default: False.', argstr='-verbose') clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) class NlpFitOutputSpec(TraitedSpec): output_xfm = File(desc='output xfm file', exists=True) output_grid = File(desc='output grid file', exists=True) class NlpFit(CommandLine): """Hierarchial non-linear fitting with bluring. This tool is part of the minc-widgets package: https://github.com/BIC-MNI/minc-widgets/blob/master/nlpfit/nlpfit Examples -------- >>> from nipype.interfaces.minc import NlpFit >>> from nipype.interfaces.minc.testdata import nonempty_minc_data, nlp_config >>> from nipype.testing import example_data >>> source = nonempty_minc_data(0) >>> target = nonempty_minc_data(1) >>> source_mask = nonempty_minc_data(2) >>> config = nlp_config >>> initial = example_data('minc_initial.xfm') >>> nlpfit = NlpFit(config_file=config, init_xfm=initial, source_mask=source_mask, source=source, target=target) >>> nlpfit.run() # doctest: +SKIP """ input_spec = NlpFitInputSpec output_spec = NlpFitOutputSpec _cmd = 'nlpfit' def _gen_filename(self, name): if name == 'output_xfm': output_xfm = self.inputs.output_xfm if isdefined(output_xfm): return os.path.abspath(output_xfm) else: return aggregate_filename( [self.inputs.source, self.inputs.target], 'nlpfit_xfm_output') + '.xfm' else: raise NotImplemented def _list_outputs(self): outputs = self.output_spec().get() outputs['output_xfm'] = os.path.abspath( self._gen_filename('output_xfm')) assert os.path.exists(outputs['output_xfm']) if 'grid' in open(outputs['output_xfm'], 'r').read(): outputs['output_grid'] = re.sub( '.(nlxfm|xfm)$', '_grid_0.mnc', outputs['output_xfm']) return outputs class XfmAvgInputSpec(CommandLineInputSpec): input_files = InputMultiPath( traits.File(exists=True), desc='input file(s)', mandatory=True, sep=' ', argstr='%s', position=-2) # This is a dummy input. input_grid_files = InputMultiPath( traits.File, desc='input grid file(s)',) output_file = File( desc='output file', genfile=True, argstr='%s', position=-1,) verbose = traits.Bool( desc='Print out log messages. Default: False.', argstr='-verbose') clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) # FIXME xor these: avg_linear = traits.Bool( desc='average the linear part [default].', argstr='-avg_linear') avg_nonlinear = traits.Bool( desc='average the non-linear part [default].', argstr='-avg_nonlinear') ignore_linear = traits.Bool( desc='opposite of -avg_linear.', argstr='-ignore_linear') ignore_nonlinear = traits.Bool( desc='opposite of -avg_nonlinear.', argstr='-ignore_nonline') class XfmAvgOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) output_grid = File(desc='output grid file', exists=True) class XfmAvg(CommandLine): """Average a number of xfm transforms using matrix logs and exponents. The program xfmavg calls Octave for numerical work. This tool is part of the minc-widgets package: https://github.com/BIC-MNI/minc-widgets/tree/master/xfmavg Examples -------- >>> from nipype.interfaces.minc import XfmAvg >>> from nipype.interfaces.minc.testdata import nonempty_minc_data, nlp_config >>> from nipype.testing import example_data >>> xfm1 = example_data('minc_initial.xfm') >>> xfm2 = example_data('minc_initial.xfm') # cheating for doctest >>> xfmavg = XfmAvg(input_files=[xfm1, xfm2]) >>> xfmavg.run() # doctest: +SKIP """ input_spec = XfmAvgInputSpec output_spec = XfmAvgOutputSpec _cmd = 'xfmavg' def _gen_filename(self, name): if name == 'output_file': output_file = self.inputs.output_file if isdefined(output_file): return os.path.abspath(output_file) else: return aggregate_filename( self.inputs.input_files, 'xfmavg_output') + '.xfm' else: raise NotImplemented def _gen_outfilename(self): return self._gen_filename('output_file') def _list_outputs(self): outputs = self.output_spec().get() outputs['output_file'] = os.path.abspath(self._gen_outfilename()) assert os.path.exists(outputs['output_file']) if 'grid' in open(outputs['output_file'], 'r').read(): outputs['output_grid'] = re.sub( '.(nlxfm|xfm)$', '_grid_0.mnc', outputs['output_file']) return outputs class XfmInvertInputSpec(CommandLineInputSpec): input_file = traits.File( desc='input file', exists=True, mandatory=True, argstr='%s', position=-2) output_file = File( desc='output file', genfile=True, argstr='%s', position=-1,) verbose = traits.Bool( desc='Print out log messages. Default: False.', argstr='-verbose') clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) class XfmInvertOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) output_grid = File(desc='output grid file', exists=True) class XfmInvert(CommandLine): """Invert an xfm transform file. Examples -------- >>> from nipype.interfaces.minc import XfmAvg >>> from nipype.testing import example_data >>> xfm = example_data('minc_initial.xfm') >>> invert = XfmInvert(input_file=xfm) >>> invert.run() # doctest: +SKIP """ input_spec = XfmInvertInputSpec output_spec = XfmInvertOutputSpec _cmd = 'xfminvert' def _gen_filename(self, name): if name == 'output_file': output_file = self.inputs.output_file if isdefined(output_file): return os.path.abspath(output_file) else: return aggregate_filename( [self.inputs.input_file], 'xfminvert_output') + '.xfm' else: raise NotImplemented def _gen_outfilename(self): return self._gen_filename('output_file') def _list_outputs(self): outputs = self.output_spec().get() outputs['output_file'] = os.path.abspath(self._gen_outfilename()) assert os.path.exists(outputs['output_file']) if 'grid' in open(outputs['output_file'], 'r').read(): outputs['output_grid'] = re.sub( '.(nlxfm|xfm)$', '_grid_0.mnc', outputs['output_file']) return outputs class BigAverageInputSpec(CommandLineInputSpec): input_files = InputMultiPath( traits.File(exists=True), desc='input file(s)', mandatory=True, sep=' ', argstr='%s', position=-2) output_file = File( desc='output file', genfile=True, argstr='%s', position=-1, name_source=['input_files'], hash_files=False, name_template='%s_bigaverage.mnc') verbose = traits.Bool( desc='Print out log messages. Default: False.', argstr='--verbose') clobber = traits.Bool( desc='Overwrite existing file.', argstr='--clobber', usedefault=True, default_value=True) # FIXME Redumentary implementation, various parameters not implemented. # TODO! output_float = traits.Bool( desc='Output files with float precision.', argstr='--float') robust = traits.Bool( desc=('Perform robust averaging, features that are outside 1 standard' 'deviation from the mean are downweighted. Works well for noisy' 'data with artifacts. see the --tmpdir option if you have a' 'large number of input files.'), argstr='-robust') # Should Nipype deal with where the temp directory is? tmpdir = Directory(desc='temporary files directory', argstr='-tmpdir %s') sd_file = File( desc='Place standard deviation image in specified file.', argstr='--sdfile %s', name_source=['input_files'], hash_files=False, name_template='%s_bigaverage_stdev.mnc') class BigAverageOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) sd_file = File(desc='standard deviation image', exists=True) class BigAverage(CommandLine): """Average 1000's of MINC files in linear time. mincbigaverage is designed to discretise the problem of averaging either a large number of input files or averaging a smaller number of large files. (>1GB each). There is also some code included to perform "robust" averaging in which only the most common features are kept via down-weighting outliers beyond a standard deviation. One advantage of mincbigaverage is that it avoids issues around the number of possible open files in HDF/netCDF. In short if you have more than 100 files open at once while averaging things will slow down significantly. mincbigaverage does this via a iterative approach to averaging files and is a direct drop in replacement for mincaverage. That said not all the arguments of mincaverage are supported in mincbigaverage but they should be. This tool is part of the minc-widgets package: https://github.com/BIC-MNI/minc-widgets/blob/master/mincbigaverage/mincbigaverage Examples -------- >>> from nipype.interfaces.minc import BigAverage >>> from nipype.interfaces.minc.testdata import nonempty_minc_data >>> files = [nonempty_minc_data(i) for i in range(3)] >>> average = BigAverage(input_files=files, output_float=True, robust=True) >>> average.run() # doctest: +SKIP """ input_spec = BigAverageInputSpec output_spec = BigAverageOutputSpec _cmd = 'mincbigaverage' class ReshapeInputSpec(CommandLineInputSpec): input_file = traits.File( desc='input file', exists=True, mandatory=True, argstr='%s', position=-2) output_file = File( desc='output file', genfile=True, argstr='%s', position=-1, name_source=['input_file'], hash_files=False, name_template='%s_reshape.mnc') verbose = traits.Bool( desc='Print out log messages. Default: False.', argstr='-verbose') clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) # FIXME MANY options not implemented! write_short = traits.Bool( desc='Convert to short integer data.', argstr='-short') class ReshapeOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) class Reshape(CommandLine): """Cut a hyperslab out of a minc file, with dimension reordering. This is also useful for rewriting with a different format, for example converting to short (see example below). Examples -------- >>> from nipype.interfaces.minc import Reshape >>> from nipype.interfaces.minc.testdata import nonempty_minc_data >>> input_file = nonempty_minc_data(0) >>> reshape_to_short = Reshape(input_file=input_file, write_short=True) >>> reshape_to_short.run() # doctest: +SKIP """ input_spec = ReshapeInputSpec output_spec = ReshapeOutputSpec _cmd = 'mincreshape' class VolSymmInputSpec(CommandLineInputSpec): input_file = traits.File( desc='input file', exists=True, mandatory=True, argstr='%s', position=-3) trans_file = traits.File( desc='output xfm trans file', genfile=True, argstr='%s', position=-2, name_source=['input_file'], hash_files=False, name_template='%s_vol_symm.xfm', keep_extension=False) output_file = File( desc='output file', genfile=True, argstr='%s', position=-1, name_source=['input_file'], hash_files=False, name_template='%s_vol_symm.mnc') # This is a dummy input. input_grid_files = InputMultiPath( traits.File, desc='input grid file(s)',) verbose = traits.Bool( desc='Print out log messages. Default: False.', argstr='-verbose') clobber = traits.Bool( desc='Overwrite existing file.', argstr='-clobber', usedefault=True, default_value=True) # FIXME MANY options not implemented! fit_linear = traits.Bool(desc='Fit using a linear xfm.', argstr='-linear') fit_nonlinear = traits.Bool( desc='Fit using a non-linear xfm.', argstr='-nonlinear') # FIXME This changes the input/output behaviour of trans_file! Split into # two separate interfaces? nofit = traits.Bool( desc='Use the input transformation instead of generating one.', argstr='-nofit') config_file = File( desc='File containing the fitting configuration (nlpfit -help for info).', argstr='-config_file %s', exists=True) x = traits.Bool(desc='Flip volume in x-plane (default).', argstr='-x') y = traits.Bool(desc='Flip volume in y-plane.', argstr='-y') z = traits.Bool(desc='Flip volume in z-plane.', argstr='-z') class VolSymmOutputSpec(TraitedSpec): output_file = File(desc='output file', exists=True) trans_file = File(desc='xfm trans file', exists=True) output_grid = File(desc='output grid file', exists=True) # FIXME Is exists=True correct? class VolSymm(CommandLine): """Make a volume symmetric about an axis either linearly and/or nonlinearly. This is done by registering a volume to a flipped image of itself. This tool is part of the minc-widgets package: https://github.com/BIC-MNI/minc-widgets/blob/master/volsymm/volsymm Examples -------- >>> from nipype.interfaces.minc import VolSymm >>> from nipype.interfaces.minc.testdata import nonempty_minc_data >>> input_file = nonempty_minc_data(0) >>> volsymm = VolSymm(input_file=input_file) >>> volsymm.run() # doctest: +SKIP """ input_spec = VolSymmInputSpec output_spec = VolSymmOutputSpec _cmd = 'volsymm' def _list_outputs(self): outputs = super(VolSymm, self)._list_outputs() # Have to manually check for the grid files. if os.path.exists(outputs['trans_file']): if 'grid' in open(outputs['trans_file'], 'r').read(): outputs['output_grid'] = re.sub( '.(nlxfm|xfm)$', '_grid_0.mnc', outputs['trans_file']) return outputs
sgiavasis/nipype
nipype/interfaces/minc/minc.py
Python
bsd-3-clause
111,261
[ "Gaussian", "NetCDF" ]
16868e0ccf54da9db6cf5ae60407b7d3006515cc526509a54a307aa878d6de0d