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""" @name: Modules/Core/Mqtt/_test/test_mqtt_client.py @author: D. Brian Kimmel @contact: D.BrianKimmel@gmail.com @copyright: (c) 2015-2019 by D. Brian Kimmel @license: MIT License @note: Created on Jun 5, 2015 @Summary: Passed all 7 tests - DBK - 2019-08-15 """ __updated__ = '2019-11-23' # Import...
DBrianKimmel/PyHouse
Project/src/Modules/Core/Mqtt/_test/test_mqtt_client.py
Python
mit
5,911
[ "Brian" ]
91b735bc755c9ee0a158d57eee83e6a536d890e491e25ad2e651f69c00574d99
#!/usr/bin/env python # -*- coding: utf-8 -*- from vector import vectors # Does not handle pawns moves (en-passant, double advance, promotion) and castle class Movement: def __init__(self): self.vectors = [] self.is_sliding = False rook_movement = Movement() rook_movement.vectors.append(vec...
victor-rene/chess-intuition
chess/movement.py
Python
mit
1,770
[ "Octopus" ]
5b536b6ad4b7bf6afe537ccafbbe7266142dd86f23b9b9cb4b5f03a3c83c2f73
from __future__ import division, absolute_import, print_function import os import sys import types import re import warnings from numpy.core.numerictypes import issubclass_, issubsctype, issubdtype from numpy.core import ndarray, ufunc, asarray __all__ = [ 'issubclass_', 'issubsctype', 'issubdtype', 'deprecate',...
jankoslavic/numpy
numpy/lib/utils.py
Python
bsd-3-clause
34,950
[ "VisIt" ]
4fbf2fe289c300cfbba7a022375e95d6f73ac0f9c1423a03274a7b7edf180e6a
""" Module to perform a trapezoid model fit to flux time seres data Author: Christopher J Burke """ import numpy as np import matplotlib.pyplot as plt import scipy.optimize as opt import sys def phaseData(t, per, to): """Phase the data at period per and centered at to INPUT: t - time of data ...
barentsen/dave
trapezoidFit/trapfit.py
Python
mit
28,177
[ "Gaussian" ]
b8f962b2c9c158dd9061b71130d4a1e0e30c61330bc2d9c261f4b7eae41081a9
# # -*- coding: utf-8 -*- # # gPrime - A web-based genealogy program # # Copyright (C) 2000-2006 Donald N. Allingham # Copyright (C) 2007-2009 Brian G. Matherly # Copyright (C) 2008 Raphael Ackermann # 2002-2003 Donald A. Peterson # 2003 Alex Roitman # 2009 ...
sam-m888/gprime
gprime/plugins/docgen/latexdoc.py
Python
gpl-2.0
49,156
[ "Brian" ]
e591469584b95e7c5824ce12248a158b1b167202bc939194cf06f0fc766cd216
# Copyright Iris contributors # # This file is part of Iris and is released under the LGPL license. # See COPYING and COPYING.LESSER in the root of the repository for full # licensing details. """ Replacement code for the Pyke rules. For now, we are still emulating various aspects of how our original Pyke-based code u...
rcomer/iris
lib/iris/fileformats/_nc_load_rules/actions.py
Python
lgpl-3.0
21,897
[ "NetCDF" ]
dc21ed5811c49fb917b6e0c3a7947b920b5e1c31c92b071d2b09d13e64ef9a87
""" Convenience functions for the construction of spatial weights based on contiguity and distance criteria. """ __author__ = "Sergio J. Rey <srey@asu.edu> " import pysal from Contiguity import buildContiguity from Distance import knnW, Kernel, DistanceBand from util import get_ids, get_points_array_from_shapefile, m...
jlaura/pysal
pysal/weights/user.py
Python
bsd-3-clause
34,513
[ "COLUMBUS", "Gaussian" ]
0141594bb49f37cdada2a54866e3c3491169c2ab65f5f9f78024c561f95cc362
# # Copyright (C) 2013-2019 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...
KaiSzuttor/espresso
samples/lj_liquid.py
Python
gpl-3.0
4,979
[ "ESPResSo" ]
c7a0ed224cb7e80cfb38f01eb75b92ec0fe0864faef0af7ed5188637c774b11f
from django.conf.urls import url from crystal_dashboard.dashboards.crystal.rings.storage_policies import views urlpatterns = [ url(r'^create_storage_policy', views.CreateStoragePolicy.as_view(), name='create_storage_policy'), url(r'^update_storage_policy/(?P<id>[^/]+)/$', views.UpdateStoragePolicy.as_v...
Crystal-SDS/dashboard
crystal_dashboard/dashboards/crystal/rings/storage_policies/urls.py
Python
gpl-3.0
688
[ "CRYSTAL" ]
ae37c1749f9b3072b138688ceca677c0963ab068010e5117dd0e2545cd8971a6
#! CCSD dipole with user-specified basis set import psi4 psi4.set_output_file("output.dat", False) h2o = psi4.geometry(""" 0 1 H O 1 0.957 H 2 0.957 1 104.5 """) psi4.set_options({'freeze_core': 'false'}) psi4.basis_helper(""" # Sadlej-pVTZ spherical **** H 0 S 4 1.00 33.8650140000 0.00606...
amjames/psi4
tests/python/cc54/input.py
Python
lgpl-3.0
3,948
[ "Psi4" ]
af7df7a44ec2071ab828fca3559d3b26639d121dad0def4282635ac97010e2ba
# SONA imports from .generators.noise import PulseGenerator from .generators.noise import NoiseGenerator from .generators.noise import SineOscillator from .generators.noise import ColoredNoise from .generators.operators import Product from .interface import play from .interface import Player from . import macros # Num...
gpenazzi/sona
src/sona/__init__.py
Python
bsd-3-clause
371
[ "Gaussian" ]
1c385891d8cf87a1b2ff36b205fa956c0729625c060e58b179d181b4c035ef85
#!/usr/bin/env python # Copyright 2014-2018 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 # # U...
gkc1000/pyscf
pyscf/data/radii.py
Python
apache-2.0
13,757
[ "ASE", "Dalton", "PySCF" ]
d663e77db9530056e0af426970ee6324025851aff3d200d4b751ca7d1a278971
#! /usr/bin/env python # # Copyright (C) 2011, 2012, 2014, 2015, 2016, 2017 David Maxwell and Constantine Khroulev # # This file is part of PISM. # # PISM 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...
talbrecht/pism_pik
examples/python/sia_forward.py
Python
gpl-3.0
3,653
[ "NetCDF" ]
caa60b888f506ca7342401bad1cfa40e603d48409e6725252be6f1c6700bc15e
""" Test course update """ from uuid import uuid4 from regression.pages.studio.login_studio import StudioLogin from regression.pages.studio.course_info_studio import ( CourseUpdatesPageExtended ) from regression.tests.studio.studio_base_test import StudioBaseTestClass from regression.tests.helpers import LoginHelp...
raeeschachar/edx-e2e-mirror
regression/tests/studio/test_course_update.py
Python
agpl-3.0
4,480
[ "VisIt" ]
7094656145490e54cd1b86ff63239a6bf914b757e62466c00e9b23b3e7ed08bb
from __future__ import unicode_literals import base64 import datetime import json import logging # For Python 3.0 and later from urllib.request import Request, urlopen from django.db.models import Max from django.utils import safestring import numpy as np import re from django.contrib.auth.models import User from dj...
alexandrovteam/curatr
mcf_standard_browser/standards_review/models.py
Python
apache-2.0
13,487
[ "Pybel" ]
352d569232469b290857636513dfe77b56813130635a216906ce31a615483e0e
# -*- coding: utf-8 -*- import fedmsg.tests.test_meta import arrow class TestPagureConglomeratorByIssueAndPR( fedmsg.tests.test_meta.ConglomerateBase): expected = [ { 'categories': set(['pagure']), 'end_time': 1458308863.0, 'human_time': arrow.get(1458307676).huma...
fedora-infra/fedmsg_meta_fedora_infrastructure
fedmsg_meta_fedora_infrastructure/tests/conglomerate/pagure/test_pagure.py
Python
lgpl-2.1
218,531
[ "VisIt" ]
e26ea89d957a068c29dbad9f5ed93a61d4c643796d9d8a47e017d0c6db727313
""" Runs few integrity checks """ __RCSID__ = "$Id$" import re import ast from DIRAC import S_OK, S_ERROR, gLogger from DIRAC.Core.Base.AgentModule import AgentModule from DIRAC.ConfigurationSystem.Client.Helpers.Operations impor...
marcelovilaca/DIRAC
TransformationSystem/Agent/ValidateOutputDataAgent.py
Python
gpl-3.0
9,685
[ "DIRAC" ]
c250a570e4c6538239d0099f06061d6ec9f356fde35309cf06ee16a2582e870c
# # Copyright (C) 2010-2018 The ESPResSo project # Copyright (C) 2002,2003,2004,2005,2006,2007,2008,2009,2010 # Max-Planck-Institute for Polymer Research, Theory Group # # 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...
mkuron/espresso
doc/tutorials/02-charged_system/scripts/nacl.py
Python
gpl-3.0
5,469
[ "ESPResSo" ]
88b0aecdcc0a77528f2babc89b84ba4af2e817cf0d13cada7eb529698ac6e1cf
from wofrysrw.propagator.wavefront2D.srw_wavefront import WavefrontParameters, SRWWavefront from wofrysrw.storage_ring.srw_light_source import SRWLightSource from wofrysrw.storage_ring.srw_electron_beam import SRWElectronBeam from oasys_srw.srwlib import * ''' x = 0.0, #Transverse Coordinates of Gaussian Beam Center ...
lucarebuffi/wofrysrw
wofrysrw/storage_ring/light_sources/srw_gaussian_light_source.py
Python
mit
8,130
[ "Gaussian" ]
194e20e72d9d335e33da48f7ba05ea4bdd37376fa6739719ef8fe76c06b9bd8f
"""Functions for performing the individual processing steps. - "nfo": Prepare meta-information for each trajectory - "cnv1": Run trjconv for pbc imaging (gromacs runs only) - "cnv2": Convert files to netcdf """ import subprocess import os import glob import re import json import logging from operator import itemg...
mpharrigan/trajprocess
trajprocess/process.py
Python
mit
8,629
[ "Gromacs", "MDTraj", "NetCDF" ]
bf2aa040e70cc1617ab687da10444b39037a773b4817635368254cac344d130c
""" ================================================ Segmenting the picture of greek coins in regions ================================================ This example uses :ref:`spectral_clustering` on a graph created from voxel-to-voxel difference on an image to break this image into multiple partly-homogeneous regions....
glemaitre/scikit-learn
examples/cluster/plot_coin_segmentation.py
Python
bsd-3-clause
2,948
[ "Brian", "Gaussian" ]
01b7cb5460ca35cccad0e25f02fafacc5007407aed5c136337423cd509f34a41
''' High level interface to Orbkit reading functions ''' import re from .native import read_native from orbkit.read.molden import read_molden from orbkit.read.gamess import read_gamess from orbkit.read.gaussian_fchk import read_gaussian_fchk from orbkit.read.gaussian_log import read_gaussian_log from orbkit.read.aomi...
orbkit/orbkit
orbkit/read/high_level.py
Python
lgpl-3.0
2,531
[ "GAMESS", "Gaussian", "cclib" ]
3a1d16bbd9f511e646287891cf55d12f607b1878b6fee98d9472e6f542d44c7e
#!/usr/bin/python # # Copyright 2015 John Kendrick # # This file is part of PDielec # # This program is free software; you can redistribute it and/or modify # it under the terms of the MIT License # # This program is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied wa...
JohnKendrick/PDielec
PDielec/AbinitOutputReader.py
Python
mit
10,508
[ "ABINIT" ]
a98139b48a95fd660bd9b28087bca87ac6dea5f5a124461cacd7194dda2b1fc8
import ocl as cam import camvtk import time import vtk import datetime if __name__ == "__main__": myscreen = camvtk.VTKScreen() myscreen.setAmbient(20,20,20) #stl = camvtk.STLSurf(filename="demo.stl") stl = camvtk.STLSurf(filename="demo2.stl") print "STL surface read" myscreen.addActor(s...
AlanZatarain/opencamlib
scripts/kdtree_movie1.py
Python
gpl-3.0
5,347
[ "VTK" ]
5a150bdd4e598d60eed8fd5e2d2bea80b18b0ef666595d9afaf89f7ccd621ab0
from __future__ import print_function import os from .abinittask import AbinitTask __all__ = ['AbinitScfTask'] class AbinitScfTask(AbinitTask): """Charge density calculation.""" _TASK_NAME = 'SCF task' _input_fname = 'scf.in' _output_fname = 'scf.out' def __init__(self, dirname, **kwargs): ...
trangel/OPTpy
OPTpy/Abinit/scftask.py
Python
gpl-3.0
2,767
[ "ABINIT", "pymatgen" ]
76b546fc1c69709d0c5f48fcf2aae003153a4a5daa3f0c6237aca9c040b8297c
from __future__ import print_function """ Module for read saint raw files from bruker integration """ import numpy from ImageD11 import columnfile docsheader = """ ...from the file sairefl._tp... Copyright Bruker ITEM FORMAT DESCRIPTION ---- ------ ----------- COMMENT ...
jonwright/ImageD11
ImageD11/saintraw.py
Python
gpl-2.0
11,924
[ "CRYSTAL" ]
8122cfe8e8b3116126a33de7ace9c0977807476cd7cbe62d6ce3b3559f3e2f6e
from builtins import range import numpy as np def affine_forward(x, w, b): """ Computes the forward pass for an affine (fully-connected) layer. The input x has shape (N, d_1, ..., d_k) and contains a minibatch of N examples, where each example x[i] has shape (d_1, ..., d_k). We will reshape each ...
YeEmrick/learning
cs231/assignment/assignment2/cs231n/layers.py
Python
apache-2.0
29,281
[ "NEURON" ]
ec67cb9e62caa0d2e847f34922024c0aa291956af5afa2721af653dbec4fab20
""" This module implements modified nodal analysis (MNA). Copyright 2014--2022 Michael Hayes, UCECE """ from __future__ import division from .assumptions import Assumptions from .vector import Vector from .matrix import Matrix, matrix_inverse from .sym import symsimplify from .expr import ExprDict, expr from .voltage...
mph-/lcapy
lcapy/mna.py
Python
lgpl-2.1
10,744
[ "Gaussian" ]
7bf58d4f604d2e0c8a9d9edcb4e15c2e9712f92a41708df25f7658abc919f0d7
# # Copyright (C) 2003-2013 Greg Landrum and Rational Discovery LLC # All Rights Reserved # """ This is a rough coverage test of the python wrapper it's intended to be shallow, but broad """ from __future__ import print_function import os,sys,tempfile,gzip import unittest, doctest from rdkit import RDConfig...
adalke/rdkit
Code/GraphMol/Wrap/rough_test.py
Python
bsd-3-clause
138,790
[ "RDKit" ]
8a2f4186f38c6d5fba0138e5acbd276fe41cda867a1e420709377b6549d93491
#!/usr/local/bin/env python """ Test YANK using simple models. DESCRIPTION This test suite generates a number of simple models to test the 'Yank' facility. COPYRIGHT Written by John D. Chodera <jchodera@gmail.com> while at the University of California Berkeley. LICENSE This code is licensed under the latest avai...
andrrizzi/yank
Yank/tests/test_yank.py
Python
mit
9,253
[ "MDTraj", "NetCDF", "OpenMM" ]
c109d213b1c018d10668fd7ab2f12b8541f935692fc9d7ba615b9f6cd2c98cf5
# -*- coding: utf-8 -*- """ Unit tests for the statistics module. :copyright: Copyright 2014-2016 by the Elephant team, see `doc/authors.rst`. :license: Modified BSD, see LICENSE.txt for details. """ from __future__ import division import itertools import math import sys import unittest import neo import numpy as np...
JuliaSprenger/elephant
elephant/test/test_statistics.py
Python
bsd-3-clause
42,632
[ "Gaussian" ]
66f9d021dd48574ea7bc29c88a2bd2a290280e607f620158fc2f2cbaa6fecd81
import time import random import numpy as np import pypolyagamma as pypolyagamma def calculate_C_w(S, w_i): w_mat = np.diag(w_i) return np.dot(S.T, np.dot(w_mat, S)) def sample_w_i(S, J_i): """ :param S: observation matrix :param J_i: neuron i's couplings :return: samples for w_i from a p...
noashin/Ising_model_gibbs_sampler
sampler.py
Python
mit
6,253
[ "NEURON" ]
cd55b48281ce401b60ae9caf7c1118b3d114e31a0ec829cfcac169291e7df6f6
# -*- coding: utf-8 -*- """ A replication of Chaudhuri, Rishidev, et al. "A large-scale circuit mechanism for hierarchical dynamical processing in the primate cortex." Neuron 88.2 (2015): 419-431. Figure 7D can not be reproduced exactly because the parameters used to generate the figure in original paper is of higher ...
xjwanglab/book
chaudhuri2015/chaudhuri2015_nonlinear.py
Python
mit
8,160
[ "NEURON" ]
83ecde166a62e794bb3f5c32b65ceea92000a6a098426e716937a46d540ffc19
try: paraview.simple except: from paraview.simple import * paraview.simple._DisableFirstRenderCameraReset() Custom_0028_vtk = GetActiveSource() Threshold1 = Threshold() Threshold1.Scalars = ['POINTS', 'pressure'] Threshold1.ThresholdRange = [-0.81475600000000004, 0.91933500000000001] Threshold1.Scalars = ['POINTS', ...
kel85uk/NuSiF_CFD
skeleton/Parameter_files/post_process.py
Python
gpl-2.0
5,435
[ "ParaView" ]
cfc87af5aaefe68d209a206315826464a9ee583d3adafe70d2e4dc7610204b7b
import logging from celery import task from mkt.feed.models import FeedApp, FeedCollection log = logging.getLogger('z.feed') @task def _migrate_collection_colors(ids, model): """Migrate deprecated background color (hex) to color (name).""" cls = FeedApp if model == 'collection': cls = FeedCollec...
ingenioustechie/zamboni
mkt/feed/tasks.py
Python
bsd-3-clause
1,037
[ "Amber" ]
08a09a4fb00d574f6a11b84810b13ad130f0473003fd0b3acbd92e657a172e30
# -*- coding: utf-8 -*- """ functions.py - Miscellaneous functions with no other home Copyright 2010 Luke Campagnola Distributed under MIT/X11 license. See license.txt for more infomation. """ from __future__ import division import warnings import numpy as np import decimal, re import ctypes import sys, struct from ...
mpvismer/pyqtgraph
pyqtgraph/functions.py
Python
mit
88,140
[ "Gaussian" ]
52fcea0d0fd60005be9db11230a39776293788a243308dbc97bb72a81de536b6
""" ============================= Generic SpectralModel wrapper ============================= .. moduleauthor:: Adam Ginsburg <adam.g.ginsburg@gmail.com> """ import numpy as np from pyspeckit.mpfit import mpfit,mpfitException from pyspeckit.spectrum.parinfo import ParinfoList,Parinfo import copy from astropy import lo...
mikelum/pyspeckit
pyspeckit/spectrum/models/model.py
Python
mit
43,935
[ "Gaussian" ]
35b90e7c00ba35130f5f3db4bc1f22732ff8584b75499481713d724ba98822fd
from ase.data.molecules import molecule from ase.parallel import paropen from gpaw import GPAW from gpaw.utilities.tools import split_formula from gpaw.test import equal cell = [10.,10.,10.] data = paropen('data.txt', 'w') ##Reference from J. Chem. Phys. Vol 120 No. 15, 15 April 2004, page 6898 tpss_de = { 'Li2': 22....
qsnake/gpaw
gpaw/test/tpss.py
Python
gpl-3.0
2,734
[ "ASE", "GPAW" ]
567636927c4c3d7c5b4c2ca2418715bd79415aebb370e02fa1f84e27d86c299e
# Copyright 2008-2012 Nokia Siemens Networks Oyj # # 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...
Senseg/robotframework
src/robot/model/stats.py
Python
apache-2.0
3,540
[ "VisIt" ]
7012fee869ee357c1d6039fa272e0623722efab1fc51570a7e40789325d1ce16
######################################################################## # $HeadURL$ ######################################################################## """ DIRAC FileCatalog component representing a directory tree with enumerated paths """ __RCSID__ = "$Id$" import os from types import ListType, StringTy...
marcelovilaca/DIRAC
DataManagementSystem/DB/FileCatalogComponents/DirectoryLevelTree.py
Python
gpl-3.0
18,112
[ "DIRAC" ]
1c74c04b459db143adf63c111909323cb5dee66ec514689a7c7ffd1a5ff14c8f
""" =============================== Ordinary Least Squares with SGD =============================== Simple Ordinary Least Squares example with stochastic gradient descent, we draw the linear least squares solution for a random set of points in the plane. """ print __doc__ import pylab as pl from sklearn.linear_model...
mrshu/scikit-learn
examples/linear_model/plot_sgd_ols.py
Python
bsd-3-clause
796
[ "Gaussian" ]
d08a0442e3a113d14bdbc24dfdd476146dcd44d2a430db60c44a25966ad4d46c
tests=[ ("python","UnitTestTrainer.py",{}), ] longTests=[ ] if __name__=='__main__': import sys from rdkit import TestRunner failed,tests = TestRunner.RunScript('test_list.py',0,1) sys.exit(len(failed))
rdkit/rdkit-orig
rdkit/ML/Neural/test_list.py
Python
bsd-3-clause
221
[ "RDKit" ]
fdb65de0274467e3a53852cda5dc41ac9b7a51c99eb93bd2b6a7044d6b5346f1
#!/usr/bin/env python """ Extracts data from reference files or calculates FF data. Takes a sequence of keywords corresponding to various datatypes (ex. mb = MacroModel bond lengths) followed by filenames, and extracts that particular data type from the file. Note that the order of filenames IS IMPORTANT! Used to ma...
ericchansen/q2mm
q2mm/calculate.py
Python
mit
100,623
[ "Amber", "Gaussian", "Jaguar", "MacroModel", "TINKER" ]
bcbecab89f96548890f5675461e23d67f336d5ed5657a6ede3360f21d7789850
import os import py from click.testing import CliRunner from logstapo.cli import main TEST_MAIL_BODY = ''' Logstapo results for 'syslog' =-=-=-=-=-=-=-=-=-=-=-=-=-=-= Unusual lines ------------- Dec 28 01:30:12 hydra login[3728]: pam_unix(login:session): session opened for user root by LOGIN(uid=0) Dec 28 01:30:12...
ThiefMaster/logstapo
tests/test_logstapo.py
Python
mit
3,208
[ "VisIt" ]
f7e5219d271cd0b7819f298c183b0a55cace86476286e234e23dd20c5d51cdc2
from __future__ import absolute_import import sys from subprocess import call, check_output sys.path.append("../lib") sys.path.append("../workers") from flask import Flask, request, jsonify, send_file import idigbio import uuid from database import Database, Sequence, Result from align.align import pipeline app = F...
mjcollin/idigphylo
api/api.py
Python
mit
4,984
[ "BioPerl" ]
592fc2c39bcaf1796a00de6b96ec78a833c17de375715ee2523e150cb33b9f8c
../../../../share/pyshared/orca/eventsynthesizer.py
Alberto-Beralix/Beralix
i386-squashfs-root/usr/lib/python2.7/dist-packages/orca/eventsynthesizer.py
Python
gpl-3.0
51
[ "ORCA" ]
0a51ed17367e8f0b93dd283c2ba70a66aa2c2d0cc958dec14ed0c7846e2f25ca
#!/usr/bin/env python # 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 # # U...
sunqm/pyscf
pyscf/mcscf/test/test_mc1step.py
Python
apache-2.0
11,340
[ "PySCF" ]
b974fe42691916db17fe5cb0a969b888a02853f45d6cf503119fafb729ce4374
"""Guess the MIME type of a file. This module defines two useful functions: guess_type(url, strict=True) -- guess the MIME type and encoding of a URL. guess_extension(type, strict=True) -- guess the extension for a given MIME type. It also contains the following, for tuning the behavior: Data: knownfi...
prefetchnta/questlab
bin/x64bin/python/37/Lib/mimetypes.py
Python
lgpl-2.1
22,104
[ "NetCDF" ]
18e587ef03dde8214610f57bb07e5a0f2ab3a794eee927a9b6b32265cfcb9007
# proxy module from __future__ import absolute_import from mayavi.sources.ui.parametric_surface import *
enthought/etsproxy
enthought/mayavi/sources/ui/parametric_surface.py
Python
bsd-3-clause
105
[ "Mayavi" ]
531105091eeed44d3cadd2d16eec9ee8d7263608114a58f3e7f9e9d4a2642510
""" bct active v0.01 - implements an alternative market classification and scoring algo Bitcoin Trade Simulator Copyright 2011 Brian Monkaba This file is part of ga-bitbot. ga-bitbot is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published b...
stahn/ga-bitbot
bct_active.py
Python
gpl-3.0
39,122
[ "Brian" ]
de35590bb4baec8f4feb45b43cf8288278fb467e8d3d9ae579492327558aa8bc
#!/usr/bin/env python """Writer for FASTA sequence format""" # ---------------------------------------------------------------------------- # 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...
JWDebelius/scikit-bio
skbio/format/sequences/fasta.py
Python
bsd-3-clause
4,987
[ "scikit-bio" ]
2916660f294c0d3c984b2264742fb3025ba21cb564002799b90b39ae88401e55
""" ================================================== Plot different SVM classifiers in the iris dataset ================================================== Comparison of different linear SVM classifiers on a 2D projection of the iris dataset. We only consider the first 2 features of this dataset: - Sepal length - Se...
RPGOne/Skynet
scikit-learn-c604ac39ad0e5b066d964df3e8f31ba7ebda1e0e/examples/svm/plot_iris.py
Python
bsd-3-clause
3,251
[ "Gaussian" ]
f2fa4ce1edd6c255cc66907a6cb2a7917c228f9f54c4294e26d738f0e3732037
import matplotlib.pyplot as plt import netCDF4 import os import pandas def read_netcdf(nc_full_name,variable_list=[]): """ Purpose: Read an OzFlux netCDF file and return the data in an Pandas data frame. Usage: df = qcio.nc_read_todf(nc_full_name,variable_list=variable_list) where nc_full_n...
OzFlux/OzFluxQC
utilities/read_example.py
Python
gpl-3.0
4,619
[ "NetCDF" ]
5f09de4109ba1a7d46fee6702a0fe264359ee51fb0ef4b90f8e21f073af1a377
############################################################################ # Copyright (c) 2015 Saint Petersburg State University # All Rights Reserved # See file LICENSE for details. ############################################################################ __author__ = 'anton' import getopt import os import sys ...
INNUENDOWEB/INNUca
src/SPAdes-3.9.0-Linux/share/spades/spades_pipeline/truspades/launch_options.py
Python
gpl-3.0
6,476
[ "BWA" ]
b7a312a17b24fe6249a5ba9ac3f4e77978e19af8e84dc3d9cc781b75f12725e7
#!/usr/bin/env python2 """ Creates various combinations of latitude and longitude lines to demonstrate different grid types for globes. (This requires the MayaVi visualization library). The last scene crudely shows what SpaceX's satellite constellation *may* look like. Altitudes are to scale, but satellite bodies are ...
jnez71/demos
geometry/globe_grids.py
Python
mit
5,276
[ "Mayavi" ]
4e870fb93df8c2755bdfcd0797bfbd546f803e03e9b994946a6fd128a5e80264
#!/usr/bin/env python import roslib,rospy,sys,cv2,time import numpy as np roslib.load_manifest('lane_follower') from std_msgs.msg import Int32 from sensor_msgs.msg import CompressedImage, Image from cv_bridge import CvBridge, CvBridgeError bridge = CvBridge() pub = rospy.Publisher('lane_detection', Int32, queue_size=1...
isarlab-department-engineering/ros_dt_lane_follower
src/lane_detection.py
Python
bsd-3-clause
5,227
[ "Gaussian" ]
603e4afb4f01e9701d369868aab8150378d9c68883908f67dd0996f3f76d62b0
#!/usr/bin/python # -*- coding: utf-8 -*- """rna_clanstix - a tool for visualizing RNA 3D structures based on pairwise structural similarity with Clans. We hacked Clans thus instead of BLAST-based distances between sequences, you can analyze distances between structures described as p-values of rmsd (based on the meth...
mmagnus/rna-pdb-tools
rna_tools/tools/clanstix/rna_clanstix.py
Python
gpl-3.0
21,529
[ "BLAST" ]
6d5e250d8eb968fba1a4ac92fec858f34c66ed19c0fec1027542c65837b9ae58
#!/usr/bin/env python """ Functions that use FreeSurfer commands. Authors: - Arno Klein, 2012-2013 (arno@mindboggle.info) http://binarybottle.com Copyright 2013, Mindboggle team (http://mindboggle.info), Apache v2.0 License """ def label_with_classifier(subject, hemi, left_classifier='', ...
binarybottle/mindboggle_sidelined
freesurfer.py
Python
apache-2.0
26,053
[ "Gaussian", "VTK" ]
7356e034788d73f0e8c7a98177681e34f1ae812db6fcc8862ec1c12650612185
# -*- coding: utf-8 -*- """ Kay framework. :Copyright: (c) 2009 Accense Technology, Inc. Takashi Matsuo <tmatsuo@candit.jp>, Ian Lewis <IanMLewis@gmail.com> All rights reserved. :license: BSD, see LICENSE for more details. """ import os import sys impor...
IanLewis/kay
kay/__init__.py
Python
bsd-3-clause
6,818
[ "VisIt" ]
785436d2d727b96b80434942c4b05640c03d82294e9f3ad6f7d5db48c4b28b8a
"""locate.py - determine architecture and find Java python-javabridge is licensed under the BSD license. See the accompanying file LICENSE for details. Copyright (c) 2003-2009 Massachusetts Institute of Technology Copyright (c) 2009-2013 Broad Institute All rights reserved.lo """ import ctypes import os import sys...
jakirkham/python-javabridge
javabridge/locate.py
Python
bsd-3-clause
6,661
[ "VisIt" ]
5e3039f4875d65a2dc7fdb7856e6a822bccc88e73d629937f8d8d44b1dce8ff2
# Copyright 2020 Google Research. 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...
tensorflow/examples
tensorflow_examples/lite/model_maker/third_party/efficientdet/hparams_config.py
Python
apache-2.0
15,188
[ "Gaussian" ]
1af52ddcb0e51570089d331daaf8bd2dc2a67121a4f967b002d01215f88a5266
#!/usr/bin/env python """Compartment.py: A compartment in moose. Last modified: Tue May 13, 2014 06:03PM """ __author__ = "Dilawar Singh" __copyright__ = "Copyright 2013, NCBS Bangalore" __credits__ = ["NCBS Bangalore", "Bhalla Lab"] __license__ = "GPL" __version__ ...
subhacom/moose-core
tests/python/Rallpacks/compartment.py
Python
gpl-3.0
3,980
[ "MOOSE" ]
3c7832873f9d2cb2453e62b9bf597a59b986fb62e4d7525be51ebd6c5605bf94
# -*- coding: utf-8 -*- from __future__ import division, print_function __all__ = ["multivariate_gaussian_samples", "nd_sort_samples"] import numpy as np from scipy.spatial import cKDTree def multivariate_gaussian_samples(matrix, N, mean=None): """ Generate samples from a multidimensional Gaussian with a g...
andres-jordan/george
george/utils.py
Python
mit
1,691
[ "Gaussian" ]
03e6de2344a48b0f4d6c7a0f10bd4485a7662d92fe3ac71d00663e1e2adc85ed
# Author: Travis Oliphant # 1999 -- 2002 import operator import math import timeit from scipy.spatial import cKDTree from . import _sigtools, dlti from ._upfirdn import upfirdn, _output_len, _upfirdn_modes from scipy import linalg, fft as sp_fft from scipy.fft._helper import _init_nd_shape_and_axes from scipy._lib._ut...
matthew-brett/scipy
scipy/signal/_signaltools.py
Python
bsd-3-clause
153,038
[ "Gaussian" ]
a147e9d78527ac627bb4a2d3d474218c7507f6d9a08b023b78212d6e9936fd33
# IPython log file x = np.array([[0.0, 1.5, 2.7], [1.5, 0.0, 0.0], [2.7, 0.0, 0.0]]) y = sparse.csr_matrix(x) y import networkx as nx g = nx.from_scipy_sparse_matrix(y) g[0][1] get_ipython().run_line_magic('cd', '~/Dropbox/data1/drosophila-embryo/') get_ipython().run_line_ma...
jni/useful-histories
smoothing-paths.py
Python
bsd-3-clause
2,475
[ "Gaussian" ]
38abc69765a57fc85e3aa00e3a79dd502f158bdfc3a13234095151f1bad7c135
## # title: BreadInterface.Lifecycle # by: Brian Kim # description: the set of methods that define # the stages of existence for a BreadInterface object # ## # an interface that defines the life cycle of a breadinterface component # class Lifecycle(): def __init__( self ): pass def start( self ): pass ...
briansan/BreadInterface
py/BreadInterface/Lifecycle.py
Python
bsd-2-clause
450
[ "Brian" ]
40cc0fa20a72f98fb1b0c2e5d578fab52ac4b19b40f1d4bdabf5c0408c159425
import numpy as np import os import sys import traceback import pyneb as pn #from scipy.linalg import solve as solve_sc from numpy.linalg import solve as solve_np try: import cvxopt cvxopt_ok = True except: cvxopt_ok = False """ from scipy.sparse.linalg import spsolve as solve_sp try: from num...
Morisset/PyNeb_devel
pyneb/utils/misc.py
Python
gpl-3.0
15,313
[ "Gaussian" ]
08bf82a0d21963c19d7577c5b1dc4754b1f4fcf5a830bd2a0d9c8116339d67c5
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module defines tools to generate and analyze phase diagrams. """ import re import collections import itertools import math import logging from monty.json import MSONable, MontyDecoder from functools ...
gVallverdu/pymatgen
pymatgen/analysis/phase_diagram.py
Python
mit
84,336
[ "pymatgen" ]
d595e60fa9e70862449fec485201669bc9773bb4e8ff576ecd6259451ea84444
#!/usr/bin/env python # coding: utf-8 from datetime import datetime from distutils import spawn import argparse import json import os import platform import shutil import socket import sys import time import urllib import urllib2 import main from main import config ##################################################...
ssxenon01/contact-sharing
run.py
Python
mit
18,639
[ "GULP" ]
d86e53c9f43c555f5c95dba8d9e086899aeb559a1bda0c30afaa509a7fd1ca23
############################### # This file is part of PyLaDa. # # Copyright (C) 2013 National Renewable Energy Lab # # PyLaDa is a high throughput computational platform for Physics. It aims to make it easier to submit # large numbers of jobs on supercomputers. It provides a python interface to physical input, suc...
pylada/pylada-light
src/pylada/config/general.py
Python
gpl-3.0
2,387
[ "CRYSTAL", "VASP" ]
06657e9e708bd3851ad56fc7a86b74930caef24d6bf1a80d4623e3b6e8333716
# class generated by DeVIDE::createDeVIDEModuleFromVTKObject from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class vtkMaskPoints(SimpleVTKClassModuleBase): def __init__(self, module_manager): SimpleVTKClassModuleBase.__init__( self, module_manager, vtk.vtk...
nagyistoce/devide
modules/vtk_basic/vtkMaskPoints.py
Python
bsd-3-clause
480
[ "VTK" ]
bc6fc89ae0569df7a1a680d95533192455bba3ce47a038ff737e3f4d1f97f047
import functools import warnings from collections import Mapping, Sequence from numbers import Number import numpy as np import pandas as pd from . import ops from . import utils from . import common from . import groupby from . import indexing from . import alignment from . import formatting from .. import conventio...
kjordahl/xray
xray/core/dataset.py
Python
apache-2.0
72,806
[ "NetCDF" ]
c0c0f63e6cbdaedca173959e6ee74a6252b60c1b64855d1a310821fa1798c5a2
# -*- coding: utf-8 -*- from django.test import TestCase from django.contrib.auth.models import User from django.urls import reverse from django.db import transaction from django.template import Template, RequestContext from django.http import HttpRequest from publications.models import Publication, Type, CustomLink, L...
lucastheis/django-publications
publications/tests/tests.py
Python
mit
12,057
[ "Galaxy", "NEURON" ]
fe9fe213b1c7604b475162e1ac91481bc6cc9311980a16f87d0c92779facddc6
#!/usr/bin/env python #************************************************************************** # Tintwizard # # Copyright (C) 2009 Euan Freeman <euan04@gmail.com> # # This program is free software; you can redistribute it and/or # modify it under the terms of the GNU General Public License version 3 # as published ...
giresun28/malfs-milis
bin/tintwizard.py
Python
mit
110,544
[ "VisIt" ]
ec7ec29dd6fe183b5bc8006d673944f8dbf32121de5c9ec0120474d2e1245a38
"""Gaussian processes regression. """ # Authors: Jan Hendrik Metzen <jhm@informatik.uni-bremen.de> # # License: BSD 3 clause import warnings from operator import itemgetter import numpy as np from scipy.linalg import cholesky, cho_solve, solve_triangular from scipy.optimize import fmin_l_bfgs_b from sklearn.base im...
jmschrei/scikit-learn
sklearn/gaussian_process/gpr.py
Python
bsd-3-clause
18,634
[ "Gaussian" ]
176bb9396b57c2a1c4dd05098419c5fa8eb440ac03bd6ea86228ca22e30aff9a
# This Source Code Form is subject to the terms of the Mozilla Public # License, v. 2.0. If a copy of the MPL was not distributed with this file, # You can obtain one at http://mozilla.org/MPL/2.0/. from auto_nag.bzcleaner import BzCleaner class SurveySecurityBugs(BzCleaner): def __init__(self): super(Su...
mozilla/bztools
auto_nag/scripts/survey_sec_bugs.py
Python
bsd-3-clause
3,177
[ "VisIt" ]
2e960419b8eae82e025da0ffc12a49f48d8bc7809a8312d1f1483026124742a0
# -*- coding: utf-8 -*- # Copyright 2015-2016 LasLabs Inc. # License AGPL-3.0 or later (http://www.gnu.org/licenses/agpl.html). import logging from odoo import models, fields from odoo.addons.connector.unit.mapper import mapping from ..unit.backend_adapter import CarepointCRUDAdapter from ..unit.mapper import Carepoin...
laslabs/odoo-connector-carepoint
connector_carepoint/models/fdb_pem_mogc.py
Python
agpl-3.0
3,143
[ "MOE" ]
528f0069ccafa763abd36cd0254de0790d29014e976d9174264ce32d98e3810f
""" Testing the FileCatalog logic """ from __future__ import absolute_import from __future__ import division from __future__ import print_function import sys import unittest import mock import DIRAC from DIRAC.Resources.Catalog.FileCatalog import FileCatalog from DIRAC import S_OK, S_ERROR __RCSID__ = "$Id $" c...
yujikato/DIRAC
src/DIRAC/Resources/Catalog/test/Test_FileCatalog.py
Python
gpl-3.0
15,775
[ "DIRAC" ]
2f9465032ef51495eb87493f0abf359a6133d8ef38488b490031a7751da6a144
import pathlib import numpy as np import pytest from util import full from loprop.core import penalty_function, AU2ANG, pairs from loprop.dalton import MolFragDalton from . import h2o_beta_trans_data as ref from .common import LoPropTestCase thisdir = pathlib.Path(__file__).parent case = "h2o_beta_trans" tmpdir = t...
vahtras/loprop
tests/test_h2o_beta_trans.py
Python
gpl-3.0
19,452
[ "Dalton" ]
301b30964c8e8e8d9456953b16b2c21ce1c17750512c08684bd104661f4960aa
# Copyright 2013-2020 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) from spack import * class RMulttest(RPackage): """Resampling-based multiple hypothesis testing. Non-parametr...
rspavel/spack
var/spack/repos/builtin/packages/r-multtest/package.py
Python
lgpl-2.1
2,298
[ "Bioconductor" ]
a86dfad2bf3b3242c65f8d819210f568d9e6d16253a8244bcdc2e35f6e6f7a5b
# codegen.py # Copyright (C) 2006, 2007, 2008 Michael Bayer mike_mp@zzzcomputing.com # # This module is part of Mako and is released under # the MIT License: http://www.opensource.org/licenses/mit-license.php """provides functionality for rendering a parsetree constructing into module source code.""" import time impo...
gabriel/shrub
lib/mako/codegen.py
Python
mit
32,514
[ "VisIt" ]
2780dd04068fc3bcc62f62e76dd2e3e05d36f6e69750062bc74ac8cb1fe22f83
#Standard dependencies import os import sys import inspect import time import cPickle as pickle import re from copy import copy from string import Template #Non-standard dependencies import numpy as np from scipy.interpolate import InterpolatedUnivariateSpline as spline import matplotlib as mpl mpl.use('Agg') import p...
ajmedford/catmap
catmap/__init__.py
Python
gpl-3.0
2,369
[ "ASE" ]
6767de79b2ec4670502cd44f26c264cac86e7fd4ec92cc62a89a3adb6f6f2f76
# * fb.py main module for pythons fbpy package. Draws stuff in the # * Linux framebuffer. # * Copyright (C) 2014 Marcell Marosvolgyi aka noisegate # * # * 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 Softwar...
noisegate/fbpy
build/lib.linux-x86_64-2.7/fbpy/fb.py
Python
gpl-2.0
33,713
[ "VisIt" ]
e987213d737dff4bd7e4a55d4aace4cab771dd48ae2c388779b68ee4dda9e97c
""" Flask server used for the registration page for **COMEX** app Context: - templates-based input form validated fields and checked if all were present (base_form.html + static/js/comex_reg_form_controllers.js) - Doors already validated and recorded the (email, password) combination - labels of SOU...
moma/comex2
services/main.py
Python
agpl-3.0
52,289
[ "VisIt" ]
a26bbceb1012fa3331a92f508193dd7b6e660078e7fcc53572c72d1d0ce42f3e
#A* ------------------------------------------------------------------- #B* This file contains source code for the PyMOL computer program #C* Copyright (c) Schrodinger, LLC. #D* ------------------------------------------------------------------- #E* It is unlawful to modify or remove this copyright notice. #F* -------...
gratefulfrog/lib
python/pymol/wizarding.py
Python
gpl-2.0
6,104
[ "PyMOL" ]
067207b8ba948ace4af8b9ab48a160ef9f14b9a98bb317554b77d750d291a07a
"""Notifications for Android TV notification service.""" import base64 import io import logging import requests from requests.auth import HTTPBasicAuth, HTTPDigestAuth import voluptuous as vol from homeassistant.components.notify import ( ATTR_DATA, ATTR_TITLE, ATTR_TITLE_DEFAULT, PLATFORM_SCHEMA, ...
kennedyshead/home-assistant
homeassistant/components/nfandroidtv/notify.py
Python
apache-2.0
9,929
[ "Amber" ]
71211b4f765c02b38d06c6a54346f4f022f648dab82664dda33fccc249e18ee0
#!/usr/bin/env python """Tests of code for OTU picking""" __author__ = "Kyle Bittinger, Greg Caporaso" __copyright__ = "Copyright 2011, The QIIME Project" # remember to add yourself if you make changes __credits__ = [ "Kyle Bittinger", "Greg Caporaso", "Rob Knight", "Jens Reeder", "William Walters...
josenavas/qiime
tests/test_pick_otus.py
Python
gpl-2.0
215,332
[ "BLAST" ]
f2e0c89ebb384df66718dc70e665192f2e57c7c6afbaad39716624e4abe111d7
###################################### # # Nikolai Rozanov (C) 2017-Present # # nikolai.rozanov@gmail.com # ##################################### # # the bottom part of this file is not by me (as is indicated below) # import numpy as np from sklearn.utils import check_random_state def circle(n,var,rs=1): rs ...
Kolyan-1/MSc-Thesis-Code
Data/synthetic2.py
Python
bsd-3-clause
1,526
[ "Gaussian" ]
b405cf9ec902d9252c1a88e6c71d089e0ca7e19e7c58e9ae28ddad30e420bd79
#!/usr/bin/python # -*- coding: utf-8 -*- # # --- BEGIN_HEADER --- # # signup - Handle user input from external sign up # Copyright (C) 2003-2014 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 Pu...
heromod/migrid
mig/cgi-bin/signup.py
Python
gpl-2.0
1,166
[ "Brian" ]
497cc59df066845a05a2ad12178a319631edbbe6a6813d0f7c732cdd981e59d7
#!/usr/bin/python import sys,re samfile = open(sys.argv[1],'r') # Second arguments deals with paired reads specification. Add a tag to precise if it's the forward or the reverse strand. # The tag can be found as the second field of the first line of a fastq file, ususally (illumina) in the form of: # Forward: 1:N:0:0 ...
loire/bac2ass
Scripts/extract_BAC_reads.py
Python
gpl-2.0
4,439
[ "BWA" ]
a843ad275129580c1289d8a4872899824d28a2482563cbc757c0f3a324a33f35
#!/usr/bin/python # -*- coding: utf-8 -*- # Copyright: (c) 2019, Ansible Project # GNU General Public License v3.0+ (see COPYING or https://www.gnu.org/licenses/gpl-3.0.txt) from __future__ import absolute_import, division, print_function __metaclass__ = type ANSIBLE_METADATA = {'metadata_version': '1.1', ...
h3biomed/ansible
lib/ansible/modules/cloud/kubevirt/kubevirt_vm.py
Python
gpl-3.0
15,788
[ "Galaxy" ]
8b88a9fde7b571c9815673675122970d31204164c3c79f9a9a01586b64e574b6
# BEGIN_COPYRIGHT # # Copyright (C) 2014 CRS4. # # This file is part of hadoop-galaxy, released under the terms of the BSD # 3-Clause License <http://opensource.org/licenses/BSD-3-Clause>. # # END_COPYRIGHT import argparse import copy import logging import os import subprocess import sys import yaml import pydoop.hdf...
crs4/hadoop-galaxy
hadoop_galaxy/__init__.py
Python
bsd-3-clause
14,205
[ "Galaxy" ]
193cb271b4e815f969aadba0a98acdb10882ef53f1fdf0364c0afa8f979ad167
import os import collections import copy import subprocess import functools import datetime import operator import re import numpy as np import netCDF4 import cf_units from giss import memoize,ioutil,ncutil,giutil,xaccess,gidate,checksum from giss.functional import * from giss import functional from giss.xaccess impo...
citibeth/modele-control
lib/modele/io.py
Python
lgpl-2.1
16,915
[ "NetCDF" ]
00bba4abb90218478e498b50396cc551c8208c90f6796795499bbcf6b06bd27e
from splinter.browser import Browser from time import sleep #traceback模块 跟踪异常返回信息 import traceback #ConfigParser模块 读取配置文件 import configparser import string, os, sys import notify # 读取配置文件 cf = configparser.ConfigParser() cf.read("app.conf") # 读取12306账户名,密码 uname = cf.get("user", "name") upasswd=cf.get("user", "pass...
lnO4X/rush_train_py
rush_train.py
Python
apache-2.0
3,764
[ "VisIt" ]
15fbcf6ff08f9ee4e9b72675f13193096ef9e492b7322f4eea02b032423cfbef
# # Copyright (c) 2003-2006 Rational Discovery LLC # # @@ All Rights Reserved @@ # This file is part of the RDKit. # The contents are covered by the terms of the BSD license # which is included in the file license.txt, found at the root # of the RDKit source tree. # """ utility functionality for clustering molec...
greglandrum/rdkit
rdkit/Chem/Fingerprints/ClusterMols.py
Python
bsd-3-clause
5,671
[ "RDKit" ]
5bf9e16ed73f8c3435f5a2259d7c63380b1e6b42af53a2bc4774be1589a60b82
#!/afs/crc.nd.edu/x86_64_linux/python/3.4.0/gcc-4.8.0/bin/python3 # umbrella.py - set up umbrella sampling runs from a single steered MD run in GROMACS. __author__ = "Ken Newcomb" import os import sys import numpy import shutil ### Inputs ### num_frames = int(input("Number of frames to analyze: ")) distances = numpy...
hsidky/MolSimScripts
umbrella.py
Python
mit
3,022
[ "Gromacs" ]
c4d736d837886441ce79f29a14298726956c254c21ccc15df74ce7e7f1b3d471
# -*- coding: utf-8 -*- import sys import random import math import random import pylab N=50 dt=0.4 as0=[45,105,-0.05,-0.01] a0=[50,100,-0.06,-0.02] Rv=25 f0=[[16,0,0,0],[0,16,0,0],[0,0,0.04,0],[0,0,0,0.04]] H=lambda t,a:a[0]*math.sin(a[2]*t)+a[1]*math.sin(a[3]*t) ir=range(4) #tk=[i*dt for i in k] fek=f0 def aS(k...
drewdru/AOI
roadLaneFinding/khalman.py
Python
gpl-3.0
1,124
[ "ASE" ]
d878261754096dd4ab490594611aa74a64637b33cd9d84b79f1cb6d66bc90edb
import collections from PyQt5 import QtCore, QtWidgets from LineSettingsWidget import LineSettingsWidget import peacock import mooseutils class LineGroupWidget(peacock.base.MooseWidget, QtWidgets.QGroupBox): """ A GroupBox containing the artist toggles for each postprocessor in the supplied data object. ...
Chuban/moose
python/peacock/PostprocessorViewer/plugins/LineGroupWidget.py
Python
lgpl-2.1
12,247
[ "MOOSE" ]
d154e7e1247bef903674b53e6d4a2c77ecfc78dd062f63854e6faf5366b370fc
import sys, os, inspect import os, sys, inspect, inviwopy path_to_current_folder = os.path.dirname(os.path.abspath(inspect.getfile(inspect.currentframe()))) sys.path.append(path_to_current_folder + "/../") import envisionpy import envisionpy.hdf5parser from envisionpy.network import VisualisationManager # Path to the ...
rartino/ENVISIoN
demo/elf.py
Python
bsd-2-clause
807
[ "VASP" ]
9ae5646403ffd56aeb90b6b4d992c49413f12e833aa50cb0f92608a178b22fd1
# Copyright 2009 by Cymon J. Cox. 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. """Command line wrapper for the multiple alignment program PROBCONS. """ from __future__ imp...
Ambuj-UF/ConCat-1.0
src/Utils/Bio/Align/Applications/_Probcons.py
Python
gpl-2.0
5,281
[ "Biopython" ]
ddd66d418bd222f3d57343b94b2ce05418a892b3080d4a6bf302ca3852e9955c