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zeroed = matrix - matrix.min() scaled = (scale - shift) * (zeroed / zeroed.max()) return scaled + shift
def shift_and_scale(matrix, shift, scale)
Shift and scale matrix so its minimum value is placed at `shift` and its maximum value is scaled to `scale`
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(vals, vecs) = np.linalg.eigh(matrix) ind = vals.argsort()[::-1] vals = vals[ind] vecs = vecs[:, ind] vals_ = vals.copy() vals_[vals_ < 0] = 0. cum_var_exp = np.cumsum(vals_ / vals_.sum()) return Decomp(matrix.copy(), vals, vecs, cum_var_exp)
def eigen(matrix)
Calculates the eigenvalues and eigenvectors of the input matrix. Returns a tuple of (eigenvalues, eigenvectors, cumulative percentage of variance explained). Eigenvalues and eigenvectors are sorted in order of eigenvalue magnitude, high to low
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if additive_correct: dbc = double_centre(_additive_correct(matrix)) else: dbc = double_centre(matrix) decomp = eigen(dbc) lambda_ = np.diag(np.sqrt(np.abs(decomp.vals[:dimensions]))) evecs = decomp.vecs[:, :dimensions] coords = evecs.dot(lambda_) return coords
def _embedding_classical_mds(matrix, dimensions=3, additive_correct=False)
Private method to calculate CMDS embedding :param dimensions: (int) :return: coordinate matrix (np.array)
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if affinity_matrix is None: aff = rbf(matrix, sigma=sigma) else: aff = affinity_matrix coords = sklearn.manifold.spectral_embedding(aff, dimensions) return normalise_rows(coords) if unit_length else coords
def _embedding_spectral(matrix, dimensions=3, unit_length=True, affinity_matrix=None, sigma=1)
Private method to calculate Spectral embedding :param dimensions: (int) :return: coordinate matrix (np.array)
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tsne = sklearn.manifold.TSNE(n_components=dimensions, metric="precomputed", early_exaggeration=early_exaggeration, method=method, perplexity=perplexity, ...
def _embedding_tsne(matrix, dimensions=3, early_exaggeration=12.0, method='barnes_hut', perplexity=30, learning_rate=200, n_iter=1000)
Private method to perform tSNE embedding :param matrix: treeCl Distance Matrix :param dimensions: Number of dimensions in which to embed points :return: treeCl CoordinateMatrix
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mds = sklearn.manifold.MDS(n_components=dimensions, dissimilarity='precomputed', metric=True) mds.fit(matrix) return mds.embedding_
def _embedding_metric_mds(matrix, dimensions=3)
Private method to calculate MMDS embedding :param dimensions: (int) :return: coordinate matrix (np.array)
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mds = sklearn.manifold.MDS(n_components=dimensions, dissimilarity='precomputed', metric=False) if initial_coords is not None: mds.fit(matrix, init=initial_coords) else: mds.fit(matrix) return mds.embedding_
def _embedding_nonmetric_mds(matrix, dimensions=3, initial_coords=None)
Private method to calculate NMMDS embedding :param dimensions: (int) :return: coordinate matrix (np.array)
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if affinity_matrix is None: aff = rbf(matrix, sigma) else: aff = affinity_matrix kpca = sklearn.decomposition.KernelPCA(kernel='precomputed', n_components=dimensions) return kpca.fit_transform(aff)
def _embedding_kernel_pca(matrix, dimensions=3, affinity_matrix=None, sigma=1)
Private method to calculate KPCA embedding :param dimensions: (int) :return: coordinate matrix (np.array)
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i = np.where(self.cve >= cutoff)[0][0] coords_matrix = self.vecs[:, :i + 1] return coords_matrix, self.cve[i]
def coords_by_cutoff(self, cutoff=0.80)
Returns fitted coordinates in as many dimensions as are needed to explain a given amount of variance (specified in the cutoff)
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coords_matrix = self.vecs[:, :dimensions] varexp = self.cve[dimensions - 1] return coords_matrix, varexp
def coords_by_dimension(self, dimensions=3)
Returns fitted coordinates in specified number of dimensions, and the amount of variance explained)
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errors.optioncheck(method, ['cmds', 'kpca', 'mmds', 'nmmds', 'spectral', 'tsne']) if method == 'cmds': array = _embedding_classical_mds(self.to_array(), dimensions, **kwargs) elif method == 'kpca': array = _embedding_kernel_pca(self.to_array(), dimensions, **kwa...
def embedding(self, dimensions, method, **kwargs)
Embeds the distance matrix in a coordinate space. Implemented methods are: cmds: Classical MultiDimensional Scaling kpca: Kernel Principal Components Analysis mmds: Metric MultiDimensional Scaling nmmds: Non-Metric MultiDimensional Scaling spectral: Spectral d...
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columns = mapping.get('columns', [mapping.get('column')]) values = [data.get(c) for c in columns] for transform in mapping.get('transforms', []): # any added transforms must also be added to the schema. values = list(TRANSFORMS[transform](mapping, bind, values)) format_str = mappi...
def extract_value(mapping, bind, data)
Given a mapping and JSON schema spec, extract a value from ``data`` and apply certain transformations to normalize the value.
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types = bind.types + [bind.schema.get('format')] for type_name in ('date-time', 'date', 'decimal', 'integer', 'boolean', 'number', 'string'): if type_name in types: return type_name return 'string'
def get_type(bind)
Detect the ideal type for the data, either using the explicit type definition or the format (for date, date-time, not supported by JSON).
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type_name = get_type(bind) try: return typecast.cast(type_name, value) except typecast.ConverterError: return value
def convert_value(bind, value)
Type casting.
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_max, _min = peakdetect(y, x, lookahead, delta) x_peaks = [p[0] for p in _max] y_peaks = [p[1] for p in _max] x_valleys = [p[0] for p in _min] y_valleys = [p[1] for p in _min] _peaks = [x_peaks, y_peaks] _valleys = [x_valleys, y_valleys] return {"peaks": _peaks, "valleys": _val...
def peaks(x, y, lookahead=20, delta=0.00003)
A wrapper around peakdetect to pack the return values in a nicer format
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if partition_1.num_elements() != partition_2.num_elements(): print('Partition lists are not the same length') return 0 else: total = partition_1.num_elements() m1 = partition_1.get_membership() m2 = partition_2.get_membership() l1 = len(m1) l2 = len(m2) entropy...
def entropies(partition_1, partition_2)
parameters: partition_1 (list / array) - a partitioning of a dataset according to some clustering method. Cluster labels are arbitrary. partition_2 (list / array) - another partitioning of the same dataset. Labels don't need to match, nor do the number of clusters. subfunctions: get_membership( paramet...
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list_length = len(l) d = defaultdict(list) for (i, element) in enumerate(l): d[element].append(i) l2 = [None] * list_length for (name, index_list) in enumerate(sorted(d.values(), key=min)): for index in index_list: l2[index] = ...
def _restricted_growth_notation(l)
The clustering returned by the hcluster module gives group membership without regard for numerical order This function preserves the group membership, but sorts the labelling into numerical order
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props = np.concatenate([[0], (scipy.stats.dirichlet.rvs(alpha) * size).cumsum().round().astype(int)]) indices = np.array(list(range(size))) random.shuffle(indices) x = [] for i in range(len(props)-1): ix = indices[props[i]:props[i+1]] x.append(ix)...
def random(cls, alpha, size)
Generate a random start using expected proportions, alpha. These are used to parameterise a random draw from a Dirichlet distribution. An example, to split a dataset of 20 items into 3 groups of [10, 6, 4] items: - alpha = [10, 6, 4], - alpha = [100, 60, 40], -...
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result = defaultdict(list) for (position, value) in enumerate(self.partition_vector): result[value].append(position) return sorted([tuple(x) for x in result.values()])
def get_membership(self)
Alternative representation of group membership - creates a list with one tuple per group; each tuple contains the indices of its members Example: partition = (0,0,0,1,0,1,2,2) membership = [(0,1,2,4), (3,5), (6,7)] :return: list of tuples giving group memberships by in...
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(entropy_1, entropy_2, mut_inf) = entropies(self, other) return entropy_1 + entropy_2 - 2 * mut_inf
def variation_of_information(self, other)
calculates Variation of Information Metric between two clusterings of the same data - SEE Meila, M. (2007). Comparing clusterings: an information based distance. Journal of Multivariate Analysis, 98(5), 873-895. doi:10.1016/j.jmva.2006.11.013
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median_diff = np.median(np.diff(self.x)) bin_edges = [self.x[0] - median_diff/2.0] bin_edges.extend(median_diff/2.0 + self.x) self.y_raw = self.y_raw/(self.y_raw.sum()*np.diff(bin_edges)) self.smooth()
def normalize(self)
Normalizes the given data such that the area under the histogram/curve comes to 1. Also re applies smoothing once done.
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pickle.dump([self.x, self.y_raw], file(path, 'w'))
def serialize(self, path)
Saves the raw (read unsmoothed) histogram data to the given path using pickle python module.
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# octave propagation of the reference peaks temp_peaks = [i + 1200 for i in self.peaks["peaks"][0]] temp_peaks.extend([i - 1200 for i in self.peaks["peaks"][0]]) extended_peaks = [] extended_peaks.extend(self.peaks["peaks"][0]) for i in temp_peaks: #...
def extend_peaks(self, prop_thresh=50)
Each peak in the peaks of the object is checked for its presence in other octaves. If it does not exist, it is created. prop_thresh is the cent range within which the peak in the other octave is expected to be present, i.e., only if there is a peak within this cent range in ...
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import pylab as p if new_fig: p.figure() #step 1: plot histogram p.plot(self.x, self.y, ls='-', c='b', lw='1.5') #step 2: plot peaks first_peak = None last_peak = None if self.peaks: first_peak = min(self.peaks["peaks"]...
def plot(self, intervals=None, new_fig=True)
This function plots histogram together with its smoothed version and peak information if provided. Just intonation intervals are plotted for a reference.
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show_progress = bool(message) njobs = get_njobs(nargs, args) nproc = len(client) logger.debug('parallel_map: len(client) = {}'.format(len(client))) view = client.load_balanced_view() if show_progress: message += ' (IP:{}w:{}b)'.format(nproc, batchsize) pbar = setup_progressb...
def parallel_map(client, task, args, message, batchsize=1, background=False, nargs=None)
Helper to map a function over a sequence of inputs, in parallel, with progress meter. :param client: IPython.parallel.Client instance :param task: Function :param args: Must be a list of tuples of arguments that the task function will be mapped onto. If the function takes a single argument,...
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njobs = get_njobs(nargs, args) show_progress = bool(message) if show_progress: pbar = setup_progressbar(message, njobs, simple_progress=True) pbar.start() map_result = [] for (i, arglist) in enumerate(tupleise(args), start=1): map_result.append(task(*arglist)) if...
def sequential_map(task, args, message, nargs=None)
Helper to map a function over a sequence of inputs, sequentially, with progress meter. :param client: IPython.parallel.Client instance :param task: Function :param args: Must be a list of tuples of arguments that the task function will be mapped onto. If the function takes a single argument...
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import concurrent.futures njobs = get_njobs(nargs, args) show_progress = bool(message) batches = grouper(batchsize, tupleise(args)) batched_task = lambda batch: [task(*job) for job in batch] if show_progress: message += ' (TP:{}w:{}b)'.format(concurrency, batchsize) pbar =...
def threadpool_map(task, args, message, concurrency, batchsize=1, nargs=None)
Helper to map a function over a range of inputs, using a threadpool, with a progress meter
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njobs = get_njobs(nargs, args) show_progress = bool(message) batches = grouper(batchsize, tupleise(args)) def batched_task(*batch): return [task(*job) for job in batch] if show_progress: message += ' (PP:{}w:{}b)'.format(concurrency, batchsize) pbar = setup_progressbar(...
def processpool_map(task, args, message, concurrency, batchsize=1, nargs=None)
See http://stackoverflow.com/a/16071616
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# Get the full set of labels (i.e. sequence ids) for all the alignments all_labels = set(seq.id for aln in alignments for seq in aln) # Make a dictionary to store info as we go along # (defaultdict is convenient -- asking for a missing key gives back an empty list) tmp = defaultdict(list) ...
def concatenate(alignments)
Concatenates a list of Bio.Align.MultipleSeqAlignment objects. If any sequences are missing the are padded with unknown data (Bio.Seq.UnknownSeq). Returns a single Bio.Align.MultipleSeqAlignment. Limitations: any annotations in the sub-alignments are lost in the concatenated alignment.
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if tri == 'upper': tri_fn = np.triu_indices else: tri_fn = np.tril_indices size = matrix.shape[0] matrix[tri_fn(size)[::-1]] = matrix[tri_fn(size)] return matrix
def symmetrise(matrix, tri='upper')
Will copy the selected (upper or lower) triangle of a square matrix to the opposite side, so that the matrix is symmetrical. Alters in place.
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iterable = iter(iterable) return iter(lambda: list(itertools.islice(iterable, n)), [])
def grouper(n, iterable)
>>> list(grouper(3, 'ABCDEFG')) [['A', 'B', 'C'], ['D', 'E', 'F'], ['G']]
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import bisect ix = bisect.bisect_left(lst, item) if lst[ix] != item: lst[ix:ix] = [item]
def insort_no_dup(lst, item)
If item is not in lst, add item to list at its sorted position
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partials_dict = {} for (name, sequence) in alignment.get_sequences(): datatype = 'dna' if alignment.is_dna() else 'protein' partials_dict[name] = seq_to_partials(sequence, datatype) if missing_data is not None: l = len(alignment) for name in missing_data: if...
def alignment_to_partials(alignment, missing_data=None)
Generate a partials dictionary from a treeCl.Alignment
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partials_dict = {} for seq in alignment: partials_dict[seq.name] = seq_to_partials(seq, datatype) return partials_dict
def biopython_to_partials(alignment, datatype)
Generate a partials dictionary from a treeCl.Alignment
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model = alignment.parameters.partitions.model freqs = alignment.parameters.partitions.frequencies alpha = alignment.parameters.partitions.alpha if model == 'LG': subs_model = LG(freqs) elif model == 'WAG': subs_model = WAG(freqs) elif model == 'GTR': rates = alignmen...
def create_gamma_model(alignment, missing_data=None, ncat=4)
Create a phylo_utils.likelihood.GammaMixture for calculating likelihood on a tree, from a treeCl.Alignment and its matching treeCl.Parameters
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arr = np.array(lst) indices = np.random.randint(len(lst), size=len(lst)) sample = np.empty(arr.shape, dtype=arr.dtype) for i, ix in enumerate(indices): sample[i] = arr[ix] return list(sample)
def sample_wr(lst)
Sample from lst, with replacement
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if weights is None: w_arr = np.ones(len(x)) else: w_arr = np.array(weights) x_arr = np.array(x) if x_arr.ndim == 2: if w_arr.ndim == 1: w_arr = w_arr[:, np.newaxis] return x_arr, w_arr
def _preprocess_inputs(x, weights)
Coerce inputs into compatible format
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w_arr, x_arr = _preprocess_inputs(x, weights) return (w_arr*x_arr).sum(axis=0) / w_arr.sum(axis=0)
def amean(x, weights=None)
Return the weighted arithmetic mean of x
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w_arr, x_arr = _preprocess_inputs(x, weights) return np.exp((w_arr*np.log(x_arr)).sum(axis=0) / w_arr.sum(axis=0))
def gmean(x, weights=None)
Return the weighted geometric mean of x
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w_arr, x_arr = _preprocess_inputs(x, weights) return w_arr.sum(axis=0) / (w_arr/x_arr).sum(axis=0)
def hmean(x, weights=None)
Return the weighted harmonic mean of x
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import numpy as np simdict = dict(simseqs) origdict = dict(origseqs) for k in origdict: origseq = np.array(list(origdict[k])) gap_pos = np.where(origseq=='-') simseq = np.array(list(simdict[k])) simseq[gap_pos] = '-' simdict[k] = ''.join(simseq) return li...
def gapmask(simseqs, origseqs)
:param sims: list of (header, sequence) tuples of simulated sequences [no gaps] :param aln: list of (header, sequence) tuples of original sequences :return:
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return [self._records[i] for i in range(len(self._records))]
def records(self)
Returns a list of records in SORT_KEY order
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compression = ['', 'gz', 'bz2'] if file_format == 'fasta': extensions = ['fa', 'fas', 'fasta'] elif file_format == 'phylip': extensions = ['phy'] else: extensions = [] extensions = list('.'.join([x,y]) if y else x for x,y in itert...
def read_alignments(self, input_dir, file_format, header_grep=None)
Get list of alignment files from an input directory *.fa, *.fas and *.phy files only Stores in self.files
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if self.show_progress: pbar = setup_progressbar("Loading trees", len(self.records)) pbar.start() for i, rec in enumerate(self.records): hook = os.path.join(input_dir, '{}.nwk*'.format(rec.name)) filename = glob.glob(hook) try: ...
def read_trees(self, input_dir)
Read a directory full of tree files, matching them up to the already loaded alignments
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if self.show_progress: pbar = setup_progressbar("Loading parameters", len(self.records)) pbar.start() for i, rec in enumerate(self.records): hook = os.path.join(input_dir, '{}.json*'.format(rec.name)) filename = glob.glob(hook) try: ...
def read_parameters(self, input_dir)
Read a directory full of json parameter files, matching them up to the already loaded alignments
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if indices is None: indices = list(range(len(self))) if task_interface is None: task_interface = tasks.MLDistanceTaskInterface() records = [self[i] for i in indices] # Assemble argument lists args, to_delete = task_interface.scrape_args(records...
def calc_distances(self, indices=None, task_interface=None, jobhandler=default_jobhandler, batchsize=1, show_progress=True)
Calculate fast approximate intra-alignment pairwise distances and variances using ML (requires ML models to have been set up using `calc_trees`). :return: None (all side effects)
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if indices is None: indices = list(range(len(self))) if task_interface is None: task_interface = tasks.RaxmlTaskInterface() records = [self[i] for i in indices] # Scrape args from records args, to_delete = task_interface.scrape_args(records, **...
def calc_trees(self, indices=None, task_interface=None, jobhandler=default_jobhandler, batchsize=1, show_progress=True, **kwargs)
Infer phylogenetic trees for the loaded Alignments :param indices: Only run inference on the alignments at these given indices :param task_interface: Inference tool specified via TaskInterface (default RaxmlTaskInterface) :param jobhandler: Launch jobs via this JobHandler (default SequentialJob...
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metrics = {'euc': tasks.EuclideanTreeDistance, 'geo': tasks.GeodesicTreeDistance, 'rf': tasks.RobinsonFouldsTreeDistance, 'wrf': tasks.WeightedRobinsonFouldsTreeDistance, 'fasteuc': tasks.EqualLeafSetEuclideanTreeDistance, ...
def get_inter_tree_distances(self, metric, jobhandler=default_jobhandler, normalise=False, min_overlap=4, overlap_fail_value=0, batchsize=1, show_progress=True)
Generate a distance matrix from a fully-populated Collection. Can silence progressbars with show_progress=False option :param metric: str. Tree distance metric to use. Choice of 'euc', 'geo', 'rf', 'wrf'. :param jobhandler: treeCl.Jobhandler. Choice of SequentialJobHandler, ThreadpoolJobHand...
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all_headers = reduce(lambda x, y: set(x) | set(y), (rec.get_names() for rec in self.records)) return len(all_headers)
def num_species(self)
Returns the number of species found over all records
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def take(n, iterable): return [next(iterable) for _ in range(n)] if partition is None: partition = Partition([1] * len(self)) index_tuples = partition.get_membership() alignments = [] for ix in index_tuples: concat = Concatenation(s...
def permuted_copy(self, partition=None)
Return a copy of the collection with all alignment columns permuted
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thehash = hex(hash(grp)) if ISPY3: # use default encoding to get bytes thehash = thehash.encode() return self.cache.get(grp, hashlib.sha1(thehash).hexdigest())
def get_id(self, grp)
Return a hash of the tuple of indices that specify the group
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id_ = self.get_id(grp) concat_file = os.path.join(self.cache_dir, '{}.phy'.format(id_)) result_file = os.path.join(self.cache_dir, '{}.{}.json'.format(id_, self.task_interface.name)) return os.path.exists(concat_file), os.path.exists(result_file)
def check_work_done(self, grp)
Check for the existence of alignment and result files.
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id_ = self.get_id(grp) alignment_done, result_done = self.check_work_done(grp) self.cache[grp] = id_ al_filename = os.path.join(self.cache_dir, '{}.phy'.format(id_)) qfile_filename = os.path.join(self.cache_dir, '{}.partitions.txt'.format(id_)) if overwrite or no...
def write_group(self, grp, overwrite=False, **kwargs)
Write the concatenated alignment to disk in the location specified by self.cache_dir
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id_ = self.get_id(grp) self.cache[grp] = id_ # Check if this file is already processed alignment_written, results_written = self.check_work_done(grp) if not results_written: if not alignment_written: self.write_group(grp, **kwargs) ...
def get_group_result(self, grp, **kwargs)
Retrieve the results for a group. Needs this to already be calculated - errors out if result not available.
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if jobhandler is None: jobhandler = SequentialJobHandler() files = glob.glob(os.path.join(self.cache_dir, '*.phy')) #logger.debug('Files - {}'.format(files)) records = [] outfiles = [] dna = self.collection[0].is_dna() # THIS IS ONLY A GUESS AT SEQ TY...
def analyse_cache_dir(self, jobhandler=None, batchsize=1, **kwargs)
Scan the cache directory and launch analysis for all unscored alignments using associated task handler. KWargs are passed to the tree calculating task managed by the TaskInterface in self.task_interface. Example kwargs: TreeCollectionTaskInterface: scale=1, guide_tree=None, ...
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scores = [] for grp in p.get_membership(): try: result = self.get_group_result(grp) scores.append(result['likelihood']) except ValueError: scores.append(None) return sum(scores)
def get_partition_score(self, p)
Assumes analysis is done and written to id.json!
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trees = [] for grp in p.get_membership(): try: result = self.get_group_result(grp) trees.append(result['ml_tree']) except ValueError: trees.append(None) logger.error('No tree found for group {}'.format(grp))...
def get_partition_trees(self, p)
Return the trees associated with a partition, p
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results = self.get_partition_results(partition) DEFAULT_DNA_MODEL = 'GTR' DEFAULT_PROTEIN_MODEL = 'LG08' # Collect argument list args = [None] * len(self.collection) for result in results: if len(result['partitions']) > 1: places = ...
def simulate(self, partition, outdir, jobhandler=default_jobhandler, batchsize=1, **kwargs)
Simulate a set of alignments from the parameters inferred on a partition :param partition: :return:
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changed = self.get_changed(self.partition, self.prev_partition) lk_table = self.generate_lktable(self.partition, changed, use_proportions) self.table = self.likelihood_table_to_probs(lk_table)
def expect(self, use_proportions=True)
The Expectation step of the CEM algorithm
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6.826966
1.06241
assert table.shape[1] == self.numgrp if weighted_choice: if transform is not None: probs = transform_fn(table.copy(), transform) # else: probs = table.copy() cmprobs = probs.cumsum(1) logger.info('Probabilities\n{}...
def classify(self, table, weighted_choice=False, transform=None)
The Classification step of the CEM algorithm
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4.685714
0.993309
self.scorer.write_partition(self.partition) self.scorer.analyse_cache_dir(**kwargs) self.likelihood = self.scorer.get_partition_score(self.partition) self.scorer.clean_cache() changed = self.get_changed(self.partition, self.prev_partition) self.update_perlocus_li...
def maximise(self, **kwargs)
The Maximisation step of the CEM algorithm
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6.481678
0.970721
assert len(partition) == self.numgrp self.partition, self.prev_partition = partition, self.partition
def set_partition(self, partition)
Store the partition in self.partition, and move the old self.partition into self.prev_partition
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5.693382
1.55374
if p1 is None or p2 is None: return list(range(len(self.insts))) return set(flatten_list(set(p1) - set(p2)))
def get_changed(self, p1, p2)
Return the loci that are in clusters that have changed between partitions p1 and p2
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4.929138
0.944882
# Build transition matrix from dict model = partition_parameters['model'] freqs = partition_parameters.get('frequencies') if model == 'LG': subs_model = phylo_utils.models.LG(freqs) elif model == 'WAG': subs_model = phylo_utils.models.WAG(freqs) ...
def _update_likelihood_model(self, inst, partition_parameters, tree)
Set parameters of likelihood model - inst - using values in dictionary - partition_parameters -, and - tree -
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3.927501
0.992542
m = lktable.max(1) # row max of lktable shifted = lktable-m[:,np.newaxis] # shift lktable of log-likelihoods to a non-underflowing range expsum = np.exp(shifted).sum(1) # convert logs to (scaled) normal space, and sum the rows logexpsum = np.log(expsum)+m # convert back to l...
def likelihood_table_to_probs(self, lktable)
Calculates this formula (1), given the log of the numerator as input p_k * f(x_i, a_k) t_k(x_i) = ----------------------- ---K \ p_k * f(x_i, a_k) /__k=1 x_i is data point i P_k is c...
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6.490102
1.002622
new_assignment = np.array(assignment.tolist()) for k in range(self.numgrp): if np.count_nonzero(assignment==k) == 0: logger.info('Group {} became empty'.format(k)) best = np.where(probs[:,k]==probs[:,k].max())[0][0] new_assignment[best...
def _fill_empty_groups_old(self, probs, assignment)
Does the simple thing - if any group is empty, but needs to have at least one member, assign the data point with highest probability of membership
3.168893
3.220491
0.983978
for grp in partition.get_membership(): grpid = self.scorer.get_id(grp) cache_dir = self.scorer.cache_dir prog = self.scorer.task_interface.name filename = os.path.join(cache_dir, '{}.{}.json'.format(grpid, prog)) if os.path.exists(filename): ...
def wipe_partition(self, partition)
Deletes analysis result of partition, e.g. so a repeat optimisation of the same partition can be done with a different model
4.72456
4.859281
0.972275
return np.sqrt(((x-a)**2).sum(1)) - c
def g(x,a,c)
Christophe's suggestion for residuals, G[i] = Sqrt(Sum_j (x[j] - a[i,j])^2) - C[i]
5.628194
5.278167
1.066316
v = g(x, a, c) return v.dot(v)
def f(x, a, c)
Objective function (sum of squared residuals)
6.343357
7.224421
0.878044
return (x-a) / np.sqrt(((x-a)**2).sum(1))[:,np.newaxis]
def jac(x,a)
Jacobian matrix given Christophe's suggestion of f
4.078402
4.548913
0.896566
return jac(x, a).T.dot(g(x, a, c))
def gradient(x, a, c)
J'.G
8.224252
7.394874
1.112156
j = jac(x, a) return j.T.dot(j)
def hessian(x, a)
J'.J
4.541784
5.068149
0.896143
return x - step * gradient(x,a,c)
def grad_desc_update(x, a, c, step=0.01)
Given a value of x, return a better x using gradient descent
5.14845
6.733501
0.764602
return x - step*np.linalg.inv(hessian(x, a)).dot(gradient(x, a, c))
def newton_update(x, a, c, step=1.0)
Given a value of x, return a better x using newton-gauss
4.350032
5.386932
0.807516
hess = hessian(x, a) return x - np.linalg.inv(hess + damping*np.diag(hess)).dot(gradient(x, a, c))
def levenberg_marquardt_update(x, a, c, damping=0.001)
Given a value of x, return a better x using newton-gauss
4.729728
5.231013
0.90417
c = b - GOLDEN*(b-a) d = a + GOLDEN*(b-a) while abs(c-d) > tolerance: fc, fd = fn(c), fn(d) if fc < fd: b = d d = c #fd=fc;fc=f(c) c = b - GOLDEN*(b-a) else: a = c c = d #fc=fd;fd=f(d) d = a + GOLDEN*(b-a)...
def golden_section_search(fn, a, b, tolerance=1e-5)
WIKIPEDIA IMPLEMENTATION golden section search to find the minimum of f on [a,b] f: a strictly unimodal function on [a,b] example: >>> f=lambda x:(x-2)**2 >>> x=gss(f,1,5) >>> x 2.000009644875678
2.35972
2.828444
0.834282
x_new = x x_old = x-1 # dummy value while np.abs(x_new - x_old).sum() > tolerance: x_old = x_new x_new = newton_update(x_old, a, c) return x_new
def optimise_newton(x, a, c, tolerance=0.001)
Optimise value of x using newton gauss
3.058152
3.16231
0.967063
x_new = x x_old = x-1 # dummy value f_old = f(x_new, a, c) while np.abs(x_new - x_old).sum() > tolerance: x_old = x_new x_tmp = levenberg_marquardt_update(x_old, a, c, damping) f_new = f(x_tmp, a, c) if f_new < f_old: damping = np.max(damping/10., 1e-20) ...
def optimise_levenberg_marquardt(x, a, c, damping=0.001, tolerance=0.001)
Optimise value of x using levenberg-marquardt
2.360446
2.413733
0.977923
x_new = x x_old = x-1 # dummy value while np.abs(x_new - x_old).sum() > tolerance: x_old = x_new step_size = golden_section_search(lambda step: f(grad_desc_update(x_old, a, c, step), a, c), -1.0, 1.0) x_new = grad_desc_update(x_old, a, c, step_size) return x_new
def optimise_gradient_descent(x, a, c, tolerance=0.001)
Optimise value of x using gradient descent
3.071548
3.16189
0.971428
fit = np.empty((len(boot_collection), dimensions)) if ISPY3: query_trees = [PhyloTree(tree.encode(), rooted) for tree in boot_collection.trees] ref_trees = [PhyloTree(tree.encode(), rooted) for tree in ref_collection.trees] else: query_trees = [PhyloTree(tree, rooted) for tree i...
def run_out_of_sample_mds(boot_collection, ref_collection, ref_distance_matrix, index, dimensions, task=_fast_geo, rooted=False, **kwargs)
index = index of the locus the bootstrap sample corresponds to - only important if using recalc=True in kwargs
2.475211
2.535764
0.97612
ref_dists = pdist(ref_cds) est_dists = pdist(est_cds) return np.sqrt(((ref_dists - est_dists)**2).sum() / (ref_dists**2).sum())
def stress(ref_cds, est_cds)
Kruskal's stress
2.552006
2.530995
1.008302
ref_dists = pdist(ref_cds) est_dists = pdist(est_cds) return np.sqrt(((ref_dists - est_dists)**2).mean())
def rmsd(ref_cds, est_cds)
Root-mean-squared-difference
2.529811
2.561018
0.987815
if start_x is None: start_x = self._analytical_fitter.fit(self._c) return optimise_newton(start_x, self._a, self._c, tolerance)
def newton(self, start_x=None, tolerance=1.0e-6)
Optimise value of x using newton gauss
5.620931
5.036
1.11615
if start_x is None: start_x = self._analytical_fitter.fit(self._c) return optimise_gradient_descent(start_x, self._a, self._c, tolerance)
def gradient_descent(self, start_x=None, tolerance=1.0e-6)
Optimise value of x using gradient descent
5.50702
4.873785
1.129927
if start_x is None: start_x = self._analytical_fitter.fit(self._c) return optimise_levenberg_marquardt(start_x, self._a, self._c, tolerance)
def levenberg_marquardt(self, start_x=None, damping=1.0e-3, tolerance=1.0e-6)
Optimise value of x using levenberg marquardt
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4.517441
1.057863
brow = self.new_B_row(index, distvec**2, recalc) return self.new_coords(brow)[:dimensions]
def fit(self, index, distvec, recalc=False, dimensions=3)
Replace distance matrix values at row/column index with distances in distvec, and compute new coordinates. Optionally use distvec to update means and (potentially) get a better estimate. distvec values should be plain distances, not squared distances.
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10.249098
1.207172
rot = self._rotate_rows(ref_crds) A = 2*(rot - ref_crds) partial_b = (rot**2 - ref_crds**2).sum(1) return A, partial_b
def _make_A_and_part_of_b_adjacent(self, ref_crds)
Make A and part of b. See docstring of this class for answer to "What are A and b?"
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5.302416
1.024203
dists = ref_dists**2 rot_dists = self._rotate_rows(dists) b = dists - rot_dists + self._partial_b self._b = b return self._pinvA.dot(b)
def _analytical_fit_adjacent(self, ref_dists)
Fit coords (x,y,[z]) so that distances from reference coordinates match closest to reference distances
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9.616509
0.929889
visitor = SchemaVisitor({'$ref': schema_uri}, resolver) return _generate_schema_mapping(visitor, set(), depth)
def generate_schema_mapping(resolver, schema_uri, depth=1)
Try and recursively iterate a JSON schema and to generate an ES mapping that encasulates it.
6.611028
6.049356
1.092848
tree_a = Tree(newick_string_a) tree_b = Tree(newick_string_b) return treedist.eucdist(tree_a, tree_b, normalise, min_overlap, overlap_fail_value)
def eucdist_task(newick_string_a, newick_string_b, normalise, min_overlap=4, overlap_fail_value=0)
Distributed version of tree_distance.eucdist Parameters: two valid newick strings and a boolean
1.829034
2.244398
0.814933
tree_a = Tree(newick_string_a) tree_b = Tree(newick_string_b) return treedist.geodist(tree_a, tree_b, normalise, min_overlap, overlap_fail_value)
def geodist_task(newick_string_a, newick_string_b, normalise, min_overlap=4, overlap_fail_value=0)
Distributed version of tree_distance.geodist Parameters: two valid newick strings and a boolean
1.813294
2.221526
0.816238
tree_a = Tree(newick_string_a) tree_b = Tree(newick_string_b) return treedist.rfdist(tree_a, tree_b, normalise, min_overlap, overlap_fail_value)
def rfdist_task(newick_string_a, newick_string_b, normalise, min_overlap=4, overlap_fail_value=0)
Distributed version of tree_distance.rfdist Parameters: two valid newick strings and a boolean
1.863571
2.240075
0.831923
tree_a = Tree(newick_string_a) tree_b = Tree(newick_string_b) return treedist.wrfdist(tree_a, tree_b, normalise, min_overlap, overlap_fail_value)
def wrfdist_task(newick_string_a, newick_string_b, normalise, min_overlap=4, overlap_fail_value=0)
Distributed version of tree_distance.rfdist Parameters: two valid newick strings and a boolean
1.824542
2.293843
0.795408
import re fl = os.path.abspath(alignment_file) ph = Phyml(verbose=False) if model in ['JC69', 'K80', 'F81', 'F84', 'HKY85', 'TN93', 'GTR']: datatype = 'nt' elif re.search('[01]{6}', model) is not None: datatype = 'nt' else: datatype = 'aa' cmd = '-i {} -m {} -d {...
def phyml_task(alignment_file, model, **kwargs)
Kwargs are passed to the Phyml process command line
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3.101651
1.025777
args = [] to_delete = [] if partition_files is None: partition_files = [None for rec in records] if outfiles is None: outfiles = [None for rec in records] for (rec, qfile, ofile) in zip(records, partition_files, outfiles): if model is ...
def scrape_args(self, records, executable='raxmlHPC-AVX', partition_files=None, model=None, outfiles=None, threads=1, parsimony=False, fast_tree=False, n_starts=1)
Examine a list of records and generate RAxML command line arguments for tree inference. :param records: list of `Alignment` records :param executable: name of the RAxML executable on the system to use. Must be in the user's path. :param partition_files: List of RAxML partition files used to desc...
3.271814
2.898979
1.128609
alf_dirs = {} for k in range(self.num_classes): dirname = fileIO.join_path(self.tmpdir, 'class{0:0>1}'.format( k + 1)) alf_dirs[k + 1] = errors.directorymake(dirname) self.alf_dirs = alf_dirs
def make_alf_dirs_(self)
DEPRECATED
5.644715
5.438158
1.037983
if not hasattr(self, 'alf_dirs'): self.make_alf_dirs() if not hasattr(self, 'class_trees'): self.generate_class_trees() alf_params = {} for k in range(self.num_classes): alfdir = self.alf_dirs[k + 1] tree = self.class_trees[k + 1...
def write_alf_params_(self)
DEPRECATED
3.38298
3.333352
1.014888
all_records = [] for k in range(self.num_classes): simulated_records = self.alf_params[k + 1].run() names = ['class{0}_{1:0>{2}}'.format(k + 1, i, len(str(self.class_list[k]))) for i in range(1, ...
def run_(self)
DEPRECATED
4.14459
4.027823
1.02899
file_path = os.path.join(os.path.dirname(__file__), 'schemas', 'mapping.json') with open(file_path, 'r') as fh: validator = Draft4Validator(json.load(fh)) validator.validate(mapping) return mapping
def validate_mapping(mapping)
Validate a mapping configuration file against the relevant schema.
2.561954
2.2227
1.152632
if t1 ^ t2: if len(t1 & t2) < min_overlap: return overlap_fail_value #raise AttributeError('Can\'t calculate tree distances when tree overlap is less than two leaves') else: t1, t2 = _equalise_leaf_sets(t1, t2, False) return fn(t1.phylotree, t2.phylotree...
def _generic_distance_calc(fn, t1, t2, normalise, min_overlap=4, overlap_fail_value=0)
(fn, t1, t2, normalise) Calculates the distance between trees t1 and t2. Can optionally be normalised to range [0, 1]. If the trees have different leaf sets, the distance is calculated on their intersection. This incurs some overhead - if the trees are known to have the same leaves, then the underlying dis...
5.851037
4.620672
1.266274