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# -*- coding: utf-8 -*- # Author: Braden Czapla (2019) # Last modified: 2019-04-30 # Original data: Tsuda et al. 2018, https://doi.org/10.1364/OE.26.006899 from __future__ import absolute_import, division, print_function import numpy as np from scipy.special import wofz import matplotlib.pyplot as plt ###############...
polyanskiy/refractiveindex.info-scripts
scripts/Tsuda 2018 - PMMA (BB model).py
Python
gpl-3.0
4,973
[ "Gaussian" ]
c7f078c1cff38cf03abcadac5e9be2735c2d3a2aa6639d5b81bc51a9038acc5e
# MARTINIZE # A simple, versatile tool for coarse-graining molecular systems # Copyright (C) 2017 Tsjerk A. Wassenaar and contributors # # 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 v...
Tsjerk/Martinize
martinize/cli.py
Python
gpl-2.0
10,450
[ "PyMOL" ]
3161e494d10fd12e99c3070e15e0399871069235254dd931187002173c17d58c
import argparse from coalib.misc import Constants from coalib.collecting.Collectors import get_all_bears_names class CustomFormatter(argparse.RawDescriptionHelpFormatter): """ A Custom Formatter that will keep the metavars in the usage but remove them in the more detailed arguments section. """ ...
arjunsinghy96/coala
coalib/parsing/DefaultArgParser.py
Python
agpl-3.0
9,113
[ "VisIt" ]
3fb9e8a79c72d80367ca8023a281e06da6d29eab338bdb9b43f07fcf4307aa3a
#!/usr/bin/python # # @author: Gaurav Rastogi (grastogi@avinetworks.com) # Eric Anderson (eanderson@avinetworks.com) # module_check: supported # # Copyright: (c) 2017 Gaurav Rastogi, <grastogi@avinetworks.com> # GNU General Public License v3.0+ (see COPYING or https://www.gnu.org/licenses/gpl-3.0.txt) # ANSIB...
kvar/ansible
lib/ansible/modules/network/avi/avi_alertemailconfig.py
Python
gpl-3.0
3,896
[ "VisIt" ]
ce713bf1a97466b7a55ad2c1f0213fb3ebc53949f93d314a57044274d35c3ecb
# -*- coding: utf-8 -*- # vim: autoindent shiftwidth=4 expandtab textwidth=120 tabstop=4 softtabstop=4 ############################################################################### # OpenLP - Open Source Lyrics Projection # # ------------------------------------------------------...
marmyshev/bug_1117098
openlp/plugins/presentations/lib/mediaitem.py
Python
gpl-2.0
15,484
[ "Brian" ]
18fb475319efd494cc4c66b0db7f825f03947408c90fa3f82584aad2614835d1
#@PydevCodeAnalysisIgnore # 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 # # ...
rossumai/keras-multi-gpu
keras_tf_multigpu/examples/avolkov1/cifar/tf_examples/cifar10.py
Python
mit
14,682
[ "Gaussian" ]
ab5bdb835f102a99fac32288b8768cec538714729daff799e49a0a0b1ffc373a
# class generated by DeVIDE::createDeVIDEModuleFromVTKObject from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class vtkPNMReader(SimpleVTKClassModuleBase): def __init__(self, module_manager): SimpleVTKClassModuleBase.__init__( self, module_manager, vtk.vtkP...
chrisidefix/devide
modules/vtk_basic/vtkPNMReader.py
Python
bsd-3-clause
464
[ "VTK" ]
da190df26bf07a8814557c72f612483da2e694467456e329e7048cc1c879b04b
import numpy import scipy # use numpy if scipy unavailable import scipy.linalg # use numpy if scipy unavailable ## Copyright (c) 2004-2007, Andrew D. Straw. All rights reserved. ## Redistribution and use in source and binary forms, with or without ## modification, are permitted provided that the following conditions ...
DLlearn/PCV
pcv_book/ransac.py
Python
bsd-2-clause
8,704
[ "Gaussian" ]
730996c37437ce9e29d235c3b412354f9af9f68529ca3f00c832590296f96b1e
""" The B{0install list-feeds} command-line interface. """ # Copyright (C) 2011, Thomas Leonard # See the README file for details, or visit http://0install.net. from __future__ import print_function from zeroinstall import _ from zeroinstall.cmd import UsageError from zeroinstall.injector import model syntax = "URI...
timdiels/0install
zeroinstall/cmd/list_feeds.py
Python
lgpl-2.1
620
[ "VisIt" ]
d463ab1b3ff3f1fa208a3d76619c343ddf4d1041a4392c21e09fb14dd5e1d329
############################################################################## # Copyright (c) 2013-2018, Lawrence Livermore National Security, LLC. # Produced at the Lawrence Livermore National Laboratory. # # This file is part of Spack. # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. # LLNL-CODE-64...
EmreAtes/spack
var/spack/repos/builtin/packages/yambo/package.py
Python
lgpl-2.1
6,257
[ "ABINIT", "NetCDF", "Yambo" ]
1a9982aec69efb64e9baadbec49fd9e435fa2283a251d9eaa2540b973c3e1c4d
#!/usr/bin/env python # -*- coding: utf-8 -*- '''plotting/analysis routines on output of example_parallel_network.py Copyright (C) 2018 Computational Neuroscience Group, NMBU. 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 ...
LFPy/LFPy
examples/bioRxiv281717/example_parallel_network_plotting.py
Python
gpl-3.0
25,689
[ "NEURON" ]
519f92cd7f84d93882bfa11c7c711892cacbfb7a001c5126d374b1764ab72dbb
# $Id$ # # Copyright (C) 2004-2006 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. # class ExcludedVolume(object): def __in...
soerendip42/rdkit
rdkit/Chem/Pharm3D/ExcludedVolume.py
Python
bsd-3-clause
1,002
[ "RDKit" ]
3d73a9ab558ffc364502087010b68a16fa804e38b6ef7cf04faae5fe87ae52c0
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2021 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 #...
lothian/psi4
psi4/driver/qcdb/align.py
Python
lgpl-3.0
6,553
[ "Psi4" ]
0adceeb44195e828c1855bd1670b757959f5aaee7a64195bc6d358822576b38d
import collections from importlib import import_module from enhatts import FieldPreparationErrors, DeleteField from tinkerpy import anonymous_class from inspect import isclass FieldDefinition = collections.namedtuple('FieldDefinition', 'field_class attributes') def _mapping_repr(header, mapping, getter=...
IvIePhisto/EnhAtts
enhatts/_fields.py
Python
mit
11,686
[ "VisIt" ]
722cd7d863b9660a837285632df1171b5b4fdfe8a04e498ebf470f8a69a8130f
# Copyright (C) 2012,2013 # Max Planck Institute for Polymer Research # Copyright (C) 2008,2009,2010,2011 # 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 t...
junghans/espressopp
src/interaction/Harmonic.py
Python
gpl-3.0
6,574
[ "ESPResSo" ]
f2163565888e96b8fa7a3a63a6806c44f8d940124b8c3cef222b355a95b5a036
# 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 https://mozilla.org/MPL/2.0/. import numpy as np from ..sile import add_sile, sile_fh_open, sile_raise_write, SileError from .sile import SileSiesta ...
zerothi/sisl
sisl/io/siesta/xv.py
Python
mpl-2.0
5,323
[ "SIESTA" ]
3d032f3913b3e9661219d9d85159bf96d3707e2b4f474ae5b91c9904e7da662b
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """Wrapper for netCDF readers.""" import os.path import warnings import numpy as np from collections import OrderedDict from monty.dev import requires from monty.collections import AttrDict from monty.functool...
gVallverdu/pymatgen
pymatgen/io/abinit/netcdf.py
Python
mit
17,629
[ "ABINIT", "NetCDF", "pymatgen" ]
f00d40900c97b58fef33af2f7ccedc9711468e4bd3e26538a38b03c82f7e3bac
#!/usr/bin/env python ######################################################################## # File : dirac-admin-add-shifter # Author : Federico Stagni ######################################################################## """ Adds or modify a shifter, in the operations section of the CS """ __RCSID__ = "$Id$" ...
coberger/DIRAC
ConfigurationSystem/scripts/dirac-admin-add-shifter.py
Python
gpl-3.0
1,627
[ "DIRAC" ]
f5469967ad81ff48137bce753f2e85e434b0db3899c5f7d983143569e605ffde
# -*- coding: utf-8 -*- __author__ = 'akiokio' from django.core.management.base import NoArgsCommand from salesReport.models import item as product, brands from salesReport.pymagento import Magento from salesReport.views import getBrand, getVMD30ForDatabaseItem import datetime def RepresentsInt(s): try: i...
akiokio/centralfitestoque
src/salesReport/management/commands/update_product_brand.py
Python
bsd-2-clause
1,654
[ "VMD" ]
c73bb0ff6c08e5bb57e8be05800a81b47ddaf63299241e3fb5edd4dcfd95a169
""" Data-driven tests for reads """ from __future__ import division from __future__ import print_function from __future__ import unicode_literals import collections import os import ga4gh.server.backend as backend import ga4gh.server.datamodel as datamodel import ga4gh.server.datamodel.datasets as datasets import ga4...
saupchurch/server
tests/datadriven/test_reads.py
Python
apache-2.0
19,167
[ "pysam" ]
6882017c827d773720dd58d603764fdb11c711b6f58cb4d3d84cad68aa11c62c
############################################################################## # Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC. # Produced at the Lawrence Livermore National Laboratory. # # This file is part of Spack. # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. # LLNL-CODE-64...
lgarren/spack
var/spack/repos/builtin/packages/r-aims/package.py
Python
lgpl-2.1
1,979
[ "Bioconductor" ]
2b562400b9f318a6c23aabd5f7922d1fa9083f86a23695ee93b83dd368f9aa01
from time import time import numpy as np from petsc4py import PETSc from src import stokes_flow as sf from src.objComposite import * # from src.stokes_flow import obj_dic # from src.ref_solution import * # from src.geo import * __all__ = ['save_singleEcoli_vtk', 'save_singleEcoli_U_vtk', 'save_singleEcoli_U_4part_vtk...
pcmagic/stokes_flow
src/myvtk.py
Python
mit
10,423
[ "VTK" ]
ec3874c74464c31e150dfd251488694427e4c3f954d906b24c04d927adfcc954
######################################################################## # $HeadURL $ # File: AdlerTestCase.py # Author: Krzysztof.Ciba@NOSPAMgmail.com # Date: 2011/02/11 09:08:19 ######################################################################## """ :mod: AdlerTestCase ======================= .. ...
Sbalbp/DIRAC
Core/Utilities/test/AdlerTestCase.py
Python
gpl-3.0
3,483
[ "DIRAC" ]
5c60a5536ad27e2465d8373935e719304e721bbc401da11b23dcafe42c3866f3
#!/usr/bin/python # # Created on Aug 25, 2016 # @author: Gaurav Rastogi (grastogi@avinetworks.com) # Eric Anderson (eanderson@avinetworks.com) # module_check: supported # Avi Version: 17.1.2 # # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the te...
le9i0nx/ansible
lib/ansible/modules/network/avi/avi_vrfcontext.py
Python
gpl-3.0
5,176
[ "VisIt" ]
2e0e1a959fb2fb7c85680dab191eac5e41a4b916ed27bd3f4e449ab36e5ee937
# -*- coding: utf-8 -*- # Copyright (c) 2014-2018 Claudiu Popa <pcmanticore@gmail.com> # Copyright (c) 2014-2015 Brett Cannon <brett@python.org> # Copyright (c) 2015 Simu Toni <simutoni@gmail.com> # Copyright (c) 2015 Pavel Roskin <proski@gnu.org> # Copyright (c) 2015 Ionel Cristian Maries <contact@ionelmc.ro> # Copyri...
ekwoodrich/python-dvrip
env/lib/python3.5/site-packages/pylint/checkers/python3.py
Python
mit
51,928
[ "VisIt" ]
3692e4c58a7f54f4df17436361b80ebd11b76ae61f5058cc092cf927fcb6d659
""" This is our testing framework. Goals: * it should be compatible with py.test and operate very similarly (or identically) * doesn't require any external dependencies * preferably all the functionality should be in this file only * no magic, just import the test file and execute the test functions, that's it * po...
ojengwa/sympy
sympy/utilities/runtests.py
Python
bsd-3-clause
77,702
[ "VisIt" ]
2275f137bdd6cb746b73c5d0a32d72bd1a361b27a938da1a1bc10e29c8555f61
# Python 2.7 # Requires splinter and phantomjs from splinter import Browser import os, zipfile from safesetup import SafeSetup browser = Browser('phantomjs') #browser = Browser() # Debugging - runs in Firefox class SafeSync: url = '' username = '' password = '' def __init__(self): self.get_c...
BenElgar/SafeSync
safesync.py
Python
gpl-2.0
2,358
[ "VisIt" ]
8cad0d98229c8b12d34919bbe955b2ec82e9771f35017d3d48580fab7f999819
import numpy as np def correlated_timeseries_example(N=10000, tau=5.0, seed=None): """Generate synthetic timeseries data with known correlation time. Parameters ---------- N : int, optional length (in number of samples) of timeseries to generate tau : float, optional correlation t...
kyleabeauchamp/pymbar
pymbar/testsystems/timeseries.py
Python
lgpl-2.1
2,409
[ "Gaussian" ]
84304d4f7b5240164751afcea1fe16f4beb60541950c084599afae631cf19384
import DIRAC from DIRAC import gLogger from DIRAC.Core.Base.Script import parseCommandLine from DIRAC.Core.DISET.RPCClient import RPCClient from DIRAC.FrameworkSystem.Client.LoggerClient import LoggerClient parseCommandLine() LClient = LoggerClient() retval = LClient.getSites() if not retval['OK']: print retval['Mess...
sposs/DIRAC
FrameworkSystem/test/testLoggerClient.py
Python
gpl-3.0
2,273
[ "DIRAC" ]
c3fd4f8730f077134592abad689ede5fcd30291e76ce129b761c4388178fd981
import unittest from .cgen import * class TestModule(unittest.TestCase): def setUp(self): self.gen = CodeGenerator() self.fix = FixGenerator() def testEmptyModule(self): p = Module() p = self.fix.visit(p) self.assertEqual(self.gen.generate(p), '') def testEmpty...
myint/pyfuzz
pygen/tests.py
Python
bsd-3-clause
7,572
[ "VisIt" ]
db43d437549f3a606c2bce2ee0734412baa8afb4099c6eaf8e093d5e705bf640
#!/usr/bin/env python3 """ extract reads from a bam file and a list write a fasta file useful benchmark: https://timoast.github.io/blog/2015-10-12-extractreads/ """ import pysam def extract_reads(options): with open(options.names, "r") as f: n = f.readlines() bamfile = pysam.AlignmentFile(optio...
naumenko-sa/bioscripts
crispr/extract_reads.py
Python
mit
1,381
[ "pysam" ]
c48e21b94c02c9c081fa5f9df9400a7902f572e5195a128a42237038badddf06
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module provides classes to perform analyses of the local environments (e.g., finding near neighbors) of single sites in molecules and structures. """ import json import math import os import warnings ...
davidwaroquiers/pymatgen
pymatgen/analysis/local_env.py
Python
mit
169,341
[ "Gaussian", "Jmol", "VASP", "pymatgen" ]
025cb9b39f00b7943ac3870d6cb947bcedc154af4cdc81ab91d4d72246f2b601
# vi: ts=8 sts=4 sw=4 et # # check.py: form checking # # This file is part of Draco2. Draco2 is free software and is made available # under the MIT license. Consult the file "LICENSE" that is distributed # together with this file for the exact licensing terms. # # Draco2 is copyright (c) 1999-2007 by the Draco2 authors...
geertj/draco2
draco2/form/check.py
Python
mit
2,382
[ "VisIt" ]
6a01bed99254c135f556f1497be4c90021e207cbb8310ad97b47712818e171d6
# Author: Gael Varoquaux <gael.varoquaux@normalesup.org> # Copyright (c) 2008, Enthought, Inc. # License: BSD Style. # Create the data ############################################################ import numpy as np x, y, z = np.ogrid[- .5:.5:200j, - .5:.5:200j, - .5:.5:200j] r = np.sqrt(x ** 2 + y ** 2 + z ** 2) ...
s0vereign/Ahti
utils/pyvis/spherical.py
Python
gpl-3.0
1,885
[ "Mayavi" ]
f5cb2261ae9ab45e35c9d9166aecd11638af11abe72cf28e49c492d64d8f706f
#### PATTERN | DE | INFLECT ######################################################################## # -*- coding: utf-8 -*- # Copyright (c) 2012 University of Antwerp, Belgium # Author: Tom De Smedt <tom@organisms.be> # License: BSD (see LICENSE.txt for details). ######################################################...
clips/pattern
pattern/text/de/inflect.py
Python
bsd-3-clause
29,028
[ "ASE" ]
5974a8a6881715581dc47711f7230a387cedaa8fdc283416393405c55af9753f
# -*- coding: utf-8 -*- from sympy.matrices import Matrix from sympy.core import Add, diff, Symbol from sympy.simplify import simplify from tensor_analysis.arraypy import Arraypy, TensorArray, matrix2arraypy, \ matrix2tensor, list2arraypy, list2tensor from tensor_analysis.tensor_methods import is_symmetric from te...
AunShiLord/Tensor-analysis
tensor_analysis/riemannian_geometry.py
Python
mit
61,932
[ "Gaussian" ]
cf83c2c2cf495d37eddb0825996187a0680733761d25807a0d4faa347e0d96f6
# # @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 #...
amjames/psi4
psi4/driver/qcdb/basislist.py
Python
lgpl-3.0
8,266
[ "Psi4" ]
6eb11f2ade7244cb454f96f0a25c96e50039a102f8ad654bd551a86dfa7166d8
import random import string import pickle import cherrypy import numpy as np import pandas as pd from scipy.sparse import csr_matrix from scipy import sparse import re import os from jinja2 import Environment, FileSystemLoader path = os.path.abspath(os.path.dirname(__file__)) config = { 'global' : { 'tools.proxy...
wkerzendorf/deepthought_web
deepthought_web.py
Python
bsd-3-clause
4,003
[ "Galaxy" ]
60481182a6bbae3a7ac94b1bbd125f5397747b95e70d3430d88ba5662bb520ce
## Generating simulated data for variations in the object parameters: import pylab as pyl import numpy as np import matplotlib.pyplot as pp #from enthought.mayavi import mlab import scipy as scp import scipy.ndimage as ni import scipy.io import roslib; roslib.load_manifest('sandbox_tapo_darpa_m3') import rospy #imp...
tapomayukh/projects_in_python
classification/Classification_with_HMM/Single_Contact_Classification/simulation_results/comparision_with_kNN_PCA/Combined/object_training/gen_data_object_training.py
Python
mit
17,336
[ "Mayavi" ]
f42df2c53a5e451554062c08da09557e1ec404f37612859bb51c26545551bab6
# -*- coding: utf-8 -*- import base64 import datetime import json import time import mock from nose.tools import eq_, ok_ from nose.plugins.attrib import attr from pyquery import PyQuery as pq from urlparse import urlparse from django.conf import settings from django.contrib.sites.models import Site from django.core...
varunkamra/kuma
kuma/wiki/tests/test_views.py
Python
mpl-2.0
167,376
[ "VisIt" ]
1803705fbc538d294001f92ec5d84b84731b8dafebe7a166c123cabfc124ad8d
# 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 # # Unless required by appl...
sunqm/pyscf
pyscf/pbc/df/test/test_rsdf_scf.py
Python
apache-2.0
2,579
[ "PySCF" ]
84bc229cb5386a32849cdb757a34a370420621f94f557a57611e4c24c37e5792
''' <h1>Library for combined x-ray and neutrons simulations.</h1> <p>The neutron simulations is capable of handling non-magnetic, magnetic non-spin flip as well as neutron spin-flip reflectivity. </p> <h2>Classes</h2> <h3>Layer</h3> <code> Layer(b = 0.0, d = 0.0, f = 0.0+0.0J, dens = 1.0, magn_ang = 0.0, magn = 0.0, s...
haozhangphd/genx-py3
genx/models/spec_nx.py
Python
gpl-3.0
28,153
[ "Gaussian" ]
db5654cc455f7403f8b9e94373f303a06c81636249c90536bb7f5179ee1c23d9
############################################################################### ## ## Copyright (C) 2014-2016, New York University. ## Copyright (C) 2011-2014, NYU-Poly. ## Copyright (C) 2006-2011, University of Utah. ## All rights reserved. ## Contact: contact@vistrails.org ## ## This file is part of VisTrails. ## ## ...
VisTrails/VisTrails
vistrails/packages/vtk/vtkhandler.py
Python
bsd-3-clause
8,298
[ "VTK" ]
c6c917bd3f5b3e1c2093922705607b517bb85896f72e46c8c2fc5e0e1d469b15
""" chapter6.py ========== Models from Chapter 6 of [G&L 2012]. - Model REG = Regional Model (Country divided into North and South regions.) [G&L 2012] "Monetary Economics: An Integrated Approach to credit, Money, Income, Production and Wealth; Second Edition", by Wynne Godley and Marc Lavoie, Palgrave Macmillan, 20...
brianr747/SFC_models
sfc_models/gl_book/chapter6.py
Python
apache-2.0
21,855
[ "Brian" ]
f16daa04b222f08e4f5f4123390626035920b06db71e876b66dde7a7b200a577
# # Copyright 2016 The BigDL 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 ...
intel-analytics/BigDL
python/orca/src/bigdl/orca/ray/process.py
Python
apache-2.0
3,914
[ "ORCA" ]
bb0f185d4b31a93c0ecdca08e977f5be2020a3d153bc308a9ee8f2ccba6675c3
#!/usr/bin/env python # -*- coding: utf-8 -*- from setuptools import setup, find_packages from os.path import join, dirname from io import open setup( name='pandas-charm', version='0.3.0', description=( 'A small Python library for getting character matrices ' '(alignments) into and out of...
jmenglund/pandas-charm
setup.py
Python
mit
1,371
[ "Biopython" ]
1d547aad339f8206030c243a4cfab247f7ad542f748f0fc60b3d2f70c66324b4
# coding: utf-8 """ Acceptance tests for Studio's Setting pages """ from __future__ import unicode_literals from nose.plugins.attrib import attr from base_studio_test import StudioCourseTest from bok_choy.promise import EmptyPromise from ...fixtures.course import XBlockFixtureDesc from ..helpers import create_user_par...
xingyepei/edx-platform
common/test/acceptance/tests/studio/test_studio_settings.py
Python
agpl-3.0
19,688
[ "VisIt" ]
c3aa5696fb9975f637924decc73f941ac811474e022b30584b1a6969288a7431
import sys import os import random import numpy as np from numpy import arange, sin, pi from .constants import AVOGADRO, E_CHARGE def isclose(a, b, rel_tol=1e-09, abs_tol=0.0): return abs(a-b) <= max(rel_tol * max(abs(a), abs(b)), abs_tol) def getMeanData(data): sums = {} n_twin = 0 first_data = data...
CNS-OIST/STEPS_Example
publication_models/API_2/Chen_FNeuroinf__2017/purkinje_model/extra/data_presets.py
Python
gpl-2.0
3,135
[ "Avogadro" ]
6f18dad425bb28b91d7ae322b0e019265673e811938663172db7552cbf889ab2
""" Proteomics Datatypes """ import binascii import logging import re from galaxy.datatypes import data from galaxy.datatypes.binary import Binary from galaxy.datatypes.data import Text from galaxy.datatypes.tabular import Tabular from galaxy.datatypes.xml import GenericXml from galaxy.util import nice_size log = lo...
icaoberg/cellorganizer-galaxy-tools
datatypes/proteomics.py
Python
gpl-3.0
13,937
[ "Galaxy", "OpenMS" ]
037c7f3466ac6d2eb609237294e5a690dc6fa5c448fcb145c1bcc70bb3cec3f4
# Copyright (C) 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 versio...
espressomd/espresso
testsuite/scripts/benchmarks/test_ferrofluid.py
Python
gpl-3.0
1,335
[ "ESPResSo" ]
2c1925a96746866c564f3f14695a37befced6983b8cf65d08d94d3914efaabdb
#!/usr/bin/env python import functools from typing import Union import metpy.calc import numpy as np import numpy.ma import scipy.signal as spsignal import seawater import xarray as xr from metpy.units import units from pint import UnitRegistry _ureg = UnitRegistry() # All functions in this file (that do not start ...
DFO-Ocean-Navigator/Ocean-Data-Map-Project
data/calculated_parser/functions.py
Python
gpl-3.0
26,417
[ "NetCDF" ]
d47cf5ef74c525e3c4054cfcaa7752bb75468de18c6ce68f21a7cc952b048d02
# -*- coding: utf-8 -*- # # Copyright (C) 2014 Bitergia # # 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 progr...
MetricsGrimoire/Octopus
tests/test_backend.py
Python
gpl-3.0
2,139
[ "Octopus" ]
9f87cf926e55a541f2b3a94b29b4e0fc86e37eb758694ce04af20e145afbe33d
# Principal Component Analysis Code : from numpy import mean,cov,double,cumsum,dot,linalg,array,rank,size,flipud from pylab import * import numpy as np import matplotlib.pyplot as pp #from enthought.mayavi import mlab import scipy.ndimage as ni import roslib; roslib.load_manifest('sandbox_tapo_darpa_m3') import ro...
tapomayukh/projects_in_python
classification/Classification_with_kNN/Multiple_Contact_Classification/New_classify_2_objects_2_categories_1200ms_scaled.py
Python
mit
10,144
[ "Mayavi" ]
6403fd46f8f88cdfe7ae2780296bbc6c7a157448bb3d22b052870486a0b97fc0
# Copyright 2017 Google Inc. 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 a...
tensorflow/transform
tensorflow_transform/beam/common.py
Python
apache-2.0
7,881
[ "VisIt" ]
2c7302afb59b1f1d5eadf8f833386e30c20827e59e3cdcdff550b81abe5d23b7
#!/usr/bin/env python # -*- mode: python; coding: utf-8; -*- ##---------------------------------------------------------------------------## ## ## Copyright (C) 1998-2003 Markus Franz Xaver Johannes Oberhumer ## Copyright (C) 2003 Mt. Hood Playing Card Co. ## Copyright (C) 2005-2009 Skomoroh ## ## This program is free ...
TrevorLowing/PyGames
pysollib/help.py
Python
gpl-2.0
5,147
[ "VisIt" ]
268a30983212bcc45966f97dccac9048d4e9c6460b442a82c0adfb347d44b0ae
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2007-2008 Brian G. Matherly # Copyright (C) 2008 Gary Burton # # 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 v...
arunkgupta/gramps
gramps/gen/plug/menu/_enumeratedlist.py
Python
gpl-2.0
3,749
[ "Brian" ]
5797dd6bbee1a011a6a4aa3722418f804ee4aa587e52207bd4e66630e789b185
""" Displays Agg images in the browser, with interactivity """ from __future__ import (absolute_import, division, print_function, unicode_literals) # The WebAgg backend is divided into two modules: # # - `backend_webagg_core.py` contains code necessary to embed a WebAgg # plot inside of a web...
unnikrishnankgs/va
venv/lib/python3.5/site-packages/matplotlib/backends/backend_webagg.py
Python
bsd-2-clause
12,190
[ "VisIt" ]
7f775a3cde595ee69e35d67bec6074d4724a2b2b569c82790aaf054ec79c6183
# encoding: utf-8 import datetime from south.db import db from south.v2 import SchemaMigration from django.db import models class Migration(SchemaMigration): def forwards(self, orm): # Adding model 'Blast' db.create_table('bugle_blast', ( ('id', self.gf('django.db.models.field...
devfort/bugle
bugle_project/bugle/migrations/0001_initial.py
Python
bsd-2-clause
8,132
[ "BLAST" ]
1c031d387ab40195b6e96ab67afa16c5d8040cc0238bda627e0317401f04c55c
#!/usr/bin/env python3 ######################################################################## # Solves problem 24 from projectEuler.net. # Finds the 1000000th lexicographic permutation of the 10 digits. # Copyright (C) 2010 Santiago Alessandri # # This program is free software: you can redistribute it and/o...
sanSS/programming-contests
project-euler/problem024.py
Python
gpl-3.0
1,503
[ "VisIt" ]
9cc2881ca3f0c0c27eeca3614d5ccdf6e687d3ff869e9d0e8b35b471c90dbeb4
from . import moose
python-security/pyt
examples/import_test_project/package_with_folder_and_alias/nested_folder_with_init/__init__.py
Python
gpl-2.0
20
[ "MOOSE" ]
401e787b78170e9dfb42f0a71cc82e92760d6c370075a46ea8b4f13bba2a828c
# # Copyright (C) 2002-2008 greg Landrum and Rational Discovery LLC # """ unit testing code for molecular descriptor calculators """ import os.path import pickle import unittest from io import BytesIO, StringIO import numpy from rdkit import Chem, RDConfig from rdkit.ML.Descriptors import Descriptors, MoleculeDesc...
bp-kelley/rdkit
rdkit/ML/Descriptors/UnitTestMolDescriptors.py
Python
bsd-3-clause
3,435
[ "RDKit" ]
dd8bfb0eff553b729e9afc08fa6034218bf2cf5e4a0de6eb0aa0e65e57873e1e
######################################################################################### # Condor.py # 10.11.2014 # Author: A.T. ######################################################################################### """ Condor.py is a DIRAC independent class representing Condor batch system. Condor objects are...
yujikato/DIRAC
src/DIRAC/Resources/Computing/BatchSystems/Condor.py
Python
gpl-3.0
8,507
[ "DIRAC" ]
058934ee7b5285b9f7fcd0164411de4dbd14d9f8183807af6d2c4dc6d42530d0
# -*- coding: UTF-8 -*- # 引入必要的库 from imutils.perspective import four_point_transform from imutils import contours import numpy as np import argparse import imutils import cv2 import squares # 构建命令行参数解析并分析参数 # 对应使用方式 python test_grader.py --image images/test_01.png ap = argparse.ArgumentParser() ap.add_argument("-i", ...
EdgarNg1024/PaperHelper
main.py
Python
apache-2.0
3,834
[ "Gaussian" ]
9fbfd5b160359df8135b3bf9e59cbf255d77a6ab18aa90693326999f8f547654
import os from os.path import join as path_join import sys import unittest import shutil import tempfile import numpy.testing from numpy.testing import assert_array_equal import numpy as np import galore import galore.formats from galore.cli.galore import simple_dos_from_files import galore.plot from contextlib impo...
SMTG-UCL/galore
test/test.py
Python
gpl-3.0
10,385
[ "Gaussian", "pymatgen" ]
1dd4bcbcc478aed60d2f7ea399620c98e0251f536bef6bf8577658d789e6beeb
# # # This example shows the diffraction by a Si 111 crystal calculated in a variety of modes (see main): # # - make_plots( calculate_standard_interface() ) # using the standard interface via definition of a photon grid (DiffractionSetupSweeps) and # the DiffractionResult object # # - calculate_with_co...
edocappelli/crystalpy
crystalpy/examples/Si111.py
Python
mit
15,040
[ "CRYSTAL" ]
7035b4446a58978832c948f9e07c698a0dd86d403fa932c5a034364e86fde9f8
from __future__ import absolute_import from __future__ import division from __future__ import print_function # sut from DIRAC.DataManagementSystem.Service.StorageElementHandler import getDiskSpace, getFreeDiskSpace, getTotalDiskSpace def test_getDiskSpace(): res = getDiskSpace("/") assert res["OK"] res ...
ic-hep/DIRAC
src/DIRAC/DataManagementSystem/Service/test/Test_Service.py
Python
gpl-3.0
414
[ "DIRAC" ]
58dfcae599032c065a691a8af7aab12c47b8a5fbddcf1e0d73aa51c7bde8eb12
#pylint: disable=missing-docstring #################################################################################################### # DO NOT MODIFY THIS HEADER # # MOOSE - Multiphysics Object Oriented Simulation Environment ...
Chuban/moose
python/MooseDocs/__init__.py
Python
lgpl-2.1
5,924
[ "MOOSE" ]
6a82458f0fc196b643a8714c393e613e65515118003cd9ac5f8fd3b0221c7d76
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module implements a simple algorithm for extracting nearest neighbor exchange parameters by mapping low energy magnetic orderings to a Heisenberg model. """ import copy import logging import sys from ast import liter...
materialsproject/pymatgen
pymatgen/analysis/magnetism/heisenberg.py
Python
mit
37,336
[ "pymatgen" ]
29d25b612a777ae5f716725d9c90b4e3eb184da9c6d21e38b3c3545862fa3d12
## # Copyright 2009-2013 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 (htt...
omula/easybuild-easyblocks
easybuild/easyblocks/a/aladin.py
Python
gpl-2.0
14,519
[ "NetCDF" ]
2701e7d0e4247aec96c00f5c4ba094b2ad8565ac2dec1b4691f4116134a46489
#!/bin/python def run_viterbi_test(): """A simple tester for Viterbi algorithm. This function generates a bunch of random emission and transition scores, and computes the best sequence by performing a brute force search over all possible sequences and scoring them. It then runs Viterbi code t...
sameersingh/uci-statnlp
hw3/viterbi_test.py
Python
apache-2.0
2,941
[ "Gaussian" ]
9d81906df274a0dff946f751f5b8fe035ab635b2812d61b96247c5022aa30247
#!/usr/bin/env python from __future__ import print_function import math import logging import argparse import numpy as np from PIL import Image import geoip2.database from PIL import ImageColor from itertools import imap from colorsys import hsv_to_rgb from collections import defaultdict __version__ = '0.0.3' cla...
cxhernandez/fah-map
scripts/fahmap.py
Python
mit
23,681
[ "Gaussian" ]
059383add32e2101570683c59fdb0a29359a54213093ccccbf99eeedac358348
# -*- coding: utf-8 -*- from __future__ import unicode_literals from django.db import models, migrations class Migration(migrations.Migration): dependencies = [ ('visit', '0058_remove_visit_involvement_other'), ] operations = [ migrations.AddField( model_name='involvementtyp...
koebbe/homeworks
visit/migrations/0059_auto_20150815_0354.py
Python
mit
748
[ "VisIt" ]
dd10c372e1e68b4daab9f6b86c536f1f7d7e4b99fdb54c2de3e2b115248d9aec
# -*- coding:utf-8 -*- ## ## This file is part of Invenio. ## Copyright (C) 2010, 2011, 2012, 2013 CERN. ## ## Invenio 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 (...
MSusik/invenio
invenio/modules/indexer/testsuite/test_indexer_engine_tokenizer.py
Python
gpl-2.0
18,602
[ "Brian", "Galaxy" ]
40ad3e3259af338da14801791fba4317c219f3236e3b1d3b38797040af79fcfd
## # Copyright 2009-2021 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://www.vscentrum.be), # Flemish Research Foundation (F...
hpcuantwerpen/easybuild-easyblocks
easybuild/easyblocks/o/openfoam.py
Python
gpl-2.0
27,029
[ "ParaView" ]
5f367d01c990be7be910c6a9f0a4826a42f38f1b813e090fb441cc2f910d8a34
#!/usr/bin/env python # Copyright (C) 2014 Swift Navigation Inc. # Contact: Colin Beighley <colin@swift-nav.com> # # This source is subject to the license found in the file 'LICENSE' which must # be be distributed together with this source. All other rights reserved. # # THIS CODE AND INFORMATION IS PROVIDED "AS...
denniszollo/piksi_tools
piksi_tools/console/update_view.py
Python
lgpl-3.0
22,317
[ "VisIt" ]
d7027d87daac293e3ccda7f706e75bad62ada9356989a8a9fe8224d81cb74cfc
#### PATTERN | NL | INFLECT ############################################## # -*- coding: utf-8 -*- # Copyright (c) 2010 University of Antwerp, Belgium # Author: Tom De Smedt <tom@organisms.be> # License: BSD (see LICENSE.txt for details). ########################################################################## # Reg...
shubhangiKishore/pattern
pattern/text/nl/inflect.py
Python
bsd-3-clause
16,372
[ "MOE" ]
3c32a395d7bb370fa0d24269ea1d53a29ca532e60853eb2e96f9bfc61827f4d9
# -*- coding: utf-8 -*- """The status view.""" from __future__ import unicode_literals import ctypes import sys import time try: import win32api import win32console except ImportError: win32console = None from dfvfs.lib import definitions as dfvfs_definitions import plaso from plaso.cli import tools from pl...
rgayon/plaso
plaso/cli/status_view.py
Python
apache-2.0
18,822
[ "NAMD" ]
ff8283f53978afaee1818f937c75c8babc0a640268f3f3bba9ce927a0d39242c
from math import exp, pi, sin, sqrt, cos, acos import numpy as np from ase.data import atomic_numbers # Table (1) of # D. WAASMAIER AND A. KIRFEL, Acta Cryst. (1995). A51, 416-431 waasmaier = { # a1 b1 a2 b2 a3 b3 a4 b4 a5 b5 c '...
grhawk/ASE
tools/ase/xrdebye.py
Python
gpl-2.0
3,657
[ "ASE" ]
4e671a1f15d34c7337d933ce77073856d37d50fbae5e138fc718a9c276426a84
# -*- coding: utf-8 -*- ''' This module provides an access to HITRAN data. Data is downloaded and cached. This module serves as a simple database manager frontend. API is aimed to be RESTful, which means that interaction between local API and remote data-server will be held via sending RESTful queries (API->remote)...
michaelaye/hapi
hapi/hapi.py
Python
bsd-3-clause
541,258
[ "Gaussian" ]
f0b42587786374a604316b674bffcd3b166fc8602c639616e25a203350642910
### # Copyright 2008-2011 Diamond Light Source Ltd. # This file is part of Diffcalc. # # Diffcalc 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 late...
DiamondLightSource/diffcalc
test/diffcalc/hkl/willmot/test_calcwill.py
Python
gpl-3.0
13,345
[ "CRYSTAL" ]
9e05d99a0b1fe007ca391e996fb0edc7cdd90c086ddc9980931aaaee492166d8
# ---------------------------------------------------------------------------- # 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. # --------------------------------------------...
kdmurray91/scikit-bio
skbio/metadata/_testing.py
Python
bsd-3-clause
36,975
[ "scikit-bio" ]
0689eb1e55a4ec4a01f2f45499a7fa002a070ea9ae1d89019d9b55c78e939094
# -*- coding: utf-8 -*- # vi:si:et:sw=4:sts=4:ts=4 ## ## Copyright (C) 2006, 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 Soft...
andrebellafronte/stoq
stoqlib/gui/dialogs/devices.py
Python
gpl-2.0
2,339
[ "VisIt" ]
c8caa8d2b1683759053cc357289fa44491bc8eddb7b3b14937f0397ef12ce1e5
""" DIRAC Basic MySQL Class It provides access to the basic MySQL methods in a multithread-safe mode keeping used connections in a python Queue for further reuse. These are the coded methods: __init__( host, user, passwd, name, [maxConnsInQueue=10] ) Initializes the Queue and tries to connect to...
rajanandakumar/DIRAC
Core/Utilities/MySQL.py
Python
gpl-3.0
58,684
[ "DIRAC" ]
b422f9440046e902880e19be9bfd31d951e7cd19ba343792aab9ab03a187a69e
# # Copyright (C) 2017-2019 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
testsuite/python/time_series.py
Python
gpl-3.0
1,973
[ "ESPResSo" ]
57309b4934e20c491e003af82d00a76c004a70aeea20734733cbaa125eebe76f
""" Module to set up run time parameters for Clawpack -- classic code. The values set in the function setrun are then written out to data files that will be read in by the Fortran code. """ import os import numpy as np from clawpack.pyclaw import io #------------------------------ def setrun(claw_pkg='classic'...
clawpack/adjoint
examples/acoustics_1d_heterogeneous/forward/setrun.py
Python
bsd-2-clause
7,368
[ "Gaussian", "NetCDF" ]
f44bef74b6c6eef9996b6617be5093de81045cc8107f25eec3362b795b63db62
#!/usr/bin/python import os import sys import Bio import vcf import pandas as pd from mrbait import sequence_tools as s from mrbait import misc_utils as utils from Bio import AlignIO """Functions for parsing and manipulating sequence alignment files Functions by Zach Zbinden and Tyler Chafin""" #Write FASTA from pan...
tkchafin/mrbait
mrbait/aln_file_tools.py
Python
gpl-3.0
11,249
[ "Biopython" ]
1a71b86a69dd6485a2c064ce2cf8ceb85bb8d1f680a12b9ca392ce3c34af1f22
import cv2 import numpy as np from matplotlib import pyplot as plt img = cv2.imread('/home/pi/Desktop/image.jpg',0) img = cv2.medianBlur(img,5) ret,th1 = cv2.threshold(img,127,255,cv2.THRESH_BINARY) th2 = cv2.adaptiveThreshold(img,255,cv2.ADAPTIVE_THRESH_MEAN_C,\ cv2.THRESH_BINARY,11,2) ...
agdal1125/sicp2
document-scanner/please.py
Python
mit
743
[ "Gaussian" ]
b44870f5544a040f26978d6f25c6fac04d59c05d022d0f22ce13573e723f0416
__version__="v3.2 beta1" welcome_block=""" # Multi-Echo ICA, Version %s # # Kundu, P., Brenowitz, N.D., Voon, V., Worbe, Y., Vertes, P.E., Inati, S.J., Saad, Z.S., # Bandettini, P.A. & Bullmore, E.T. Integrated strategy for improving functional # connectivity mapping using multiecho fMRI. PNAS (2013). # # Kundu, P., ...
ME-ICA/me-ica
meica.libs/select_model_fft20d.py
Python
lgpl-2.1
25,477
[ "Gaussian" ]
a473b69124309b773660c2daefe990f276e5c9d8b5d91d9a7e72e5cd59eec80f
# -*- coding: utf-8 -*- # vi:si:et:sw=4:sts=4:ts=4 ## ## Copyright (C) 2007-2008 Async Open Source ## ## 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 Licens...
andrebellafronte/stoq
stoqlib/importers/productimporter.py
Python
gpl-2.0
4,371
[ "VisIt" ]
41400bc5928067163b3bdbd3d61e3422285bd20dfcb617462e20976d7e4d6de1
""" :Authors: - Iason """ from collections import defaultdict import numpy as np def inside(forest, topsort, omega=lambda edge: edge.log_prob): """ Inside recursion. :param forest: an acyclic hypergraph. :param topsort: a partial ordering of the nodes in the forest. :param omega: a function that ...
wilkeraziz/pcfg-sampling
inference.py
Python
apache-2.0
1,152
[ "VisIt" ]
b2be1a92d24e21a25517f42006043d6cb34299095c2dc8934139f8e12934bf8e
""" Objects with No values """ from galaxy.datatypes.metadata import MetadataCollection from galaxy.datatypes.registry import Registry class RecursiveNone: def __str__( self ): return "None" def __repr__( self ): return str( self ) def __getattr__( self, name ): value = RecursiveNon...
volpino/Yeps-EURAC
lib/galaxy/util/none_like.py
Python
mit
952
[ "Galaxy" ]
8524ab96f43277eeb3bbc19e01951e4896990035ab39a6b19bc1f08128661706
#!/usr/bin/env python import vtk from vtk.test import Testing from vtk.util.misc import vtkGetDataRoot VTK_DATA_ROOT = vtkGetDataRoot() # create pipeline # # create sphere to color sphere = vtk.vtkSphereSource() sphere.SetThetaResolution(20) sphere.SetPhiResolution(40) def colorCells (__vtk__temp0=0,__vtk_...
hlzz/dotfiles
graphics/VTK-7.0.0/Rendering/Core/Testing/Python/ScalarBar.py
Python
bsd-3-clause
2,359
[ "VTK" ]
e99b3f9860cd5bd179f47bb1dd8a0a23b3b4ad338f3319cade8edd7f88b8193b
# Copyright 2019,2020,2021 Sony Corporation. # Copyright 2021 Sony Group Corporation. # # 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 # # Un...
sony/nnabla
python/src/nnabla/experimental/parametric_function_class/module.py
Python
apache-2.0
4,013
[ "VisIt" ]
253a691228f72be20f922a74ffbdad929d19b2d203494a0626eb9be99dd4ce2f
import sys import os.path import logging import asyncio from ._requires import click from .http import HTTPError log = logging.getLogger(__name__) class _VolumeBinds: def visit(self, obj): return obj.accept(self) def visit_RO(self, _): return 'ro' def visit_RW(self, _): retu...
vmagamedov/pi
pi/run.py
Python
bsd-3-clause
5,105
[ "VisIt" ]
796daef18b7cfc97ef17973d63d62dd2b6ff48879895a9cffe526ef545edd034
import os import subprocess import sys import pandas as pd from minedatabase import utils from minedatabase.databases import MINE from rdkit.Chem import AllChem def load_cdmine_rxns(mine_db, excel_file, pic_dir=""): abrv = {"hn": "[*]"} if pic_dir and not os.path.exists(pic_dir): os.mkdir(pic_dir) ...
JamesJeffryes/MINE-Database
Scripts/add_rxns_from_excel.py
Python
mit
2,201
[ "RDKit" ]
9cb9ef63c4e2ab432f600ae9647ac048c3bd77f60f427bdc629cef1cbc4099e5
import os import pickle import pylab as pl from operator import itemgetter import netcdf import numpy as np import sys from operator import mul from ncdftools import nccopydimension from Scientific.IO import NetCDF from array import array import struct def nctypecode(dtype): # purose: netcdf-typecode from array...
hendrikwout/pynacolada
trash/pynacolada-2013-11-1.py
Python
gpl-3.0
37,771
[ "NetCDF" ]
cd38e04b5ede47eec45455e074591fd2182d67b3bca1bc8225b5bbbdf30bb97e
############################################################################## # MDTraj: A Python Library for Loading, Saving, and Manipulating # Molecular Dynamics Trajectories. # Copyright 2012-2017 Stanford University and the Authors # # Authors: Christian Schwantes # Contributors: Robert McGibbon # # MDTraj...
leeping/mdtraj
tests/test_contact.py
Python
lgpl-2.1
4,069
[ "MDTraj" ]
4bd9a7d944318e047219fc72cf3abd1b0d0a48e11fce861f5438e587d0b4bf5b
# $Id$ # # Copyright (C) 2004-2006 Greg Landrum and 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. # """unit testing code ...
bp-kelley/rdkit
rdkit/ML/UnitTestAnalyzeComposite.py
Python
bsd-3-clause
1,647
[ "RDKit" ]
13bf3ec6814f97ad812a3d45a75418f6fcbbc895f21c56aba0b6c490446de662
# Copyright 2018 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 applica...
ghchinoy/tensorflow
tensorflow/tools/compatibility/tf_upgrade_v2.py
Python
apache-2.0
98,859
[ "Gaussian", "VisIt" ]
ee046f88496e5f8053d673ce88ed2bae48fc830b3f938e38f264d57abf2e8766
# -*- coding: utf-8 -*- """ pygments.lexers._vim_builtins ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ This file is autogenerated by scripts/get_vimkw.py :copyright: Copyright 2006-2019 by the Pygments team, see AUTHORS. :license: BSD, see LICENSE for details. """ # Split up in multiple functions so it's import...
wakatime/wakatime
wakatime/packages/py27/pygments/lexers/_vim_builtins.py
Python
bsd-3-clause
57,090
[ "BLAST" ]
225fe98eb3f43d652330b0913ce64fa0b81dff78dabafbfd486b413a4ce65360