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# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import unicode_literals import unittest import tempfile import numpy.testing.utils as nptu from six.moves import zip from io import open import os import json from monty.json import MontyDecode...
setten/pymatgen
pymatgen/util/testing.py
Python
mit
6,017
[ "pymatgen" ]
aac48cf2df4ae0e9f98f3147cf0f1aea9d01ebc1d947e625adb514fd2eccd9b3
import numpy import os, inspect from orbkit import read from orbkit.core import rho_compute from orbkit.test.tools import equal from orbkit import grid from orbkit import options options.quiet = True tests_home = os.path.dirname(inspect.getfile(inspect.currentframe())) folder = os.path.join(tests_home, '...
orbkit/orbkit
orbkit/test/grid_based/rho_compute.py
Python
lgpl-3.0
1,400
[ "Molpro" ]
42e7f57573a8c6cadea695bdfb4015146cb17951911c566246f1d714d2fc7728
# Copyright 2017 Priscilla Boyd. 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 ...
priscillaboyd/SPaT_Prediction
src/analysis/Plotter.py
Python
apache-2.0
3,691
[ "Amber" ]
b57a92b2cfa044743722b4f49269ae15a72192b09c957e820cf1955d688b3947
""" spaceshooter.py Author: Hagin Credit: myself, Morgan, Mr. Dennison Assignment: Write and submit a program that implements the spacewar game: https://github.com/HHS-IntroProgramming/Spacewar """ from ggame import App, RectangleAsset, ImageAsset, SoundAsset, Sprite, Sound, LineStyle, Color, Frame import math import ...
HaginCodes/Space-Shooter
spaceshooter.py
Python
mit
10,585
[ "BLAST" ]
252c2203041f16d13a0ad46cbc8bc5faba7b8bc9b86a7e4a523d673848af72ce
#!/usr/bin/env python3 #* This file is part of the MOOSE framework #* https://www.mooseframework.org #* #* All rights reserved, see COPYRIGHT for full restrictions #* https://github.com/idaholab/moose/blob/master/COPYRIGHT #* #* Licensed under LGPL 2.1, please see LICENSE for details #* https://www.gnu.org/licenses/lgp...
harterj/moose
python/MooseDocs/test/extensions/test_pysyntax.py
Python
lgpl-2.1
8,466
[ "MOOSE" ]
7704a2e3947dbb75501bb46e3c04f18af7c199dc7167a7e1992bf553329e73d3
''' Python script to crunch sprite assets in Unity by a constant value (for reducing filesize with big images This automatically applies to .meta files, so nothing changes in game, and it works on Multiple sprite assets as well. PIL (Python Image Library) needs to be installed to use this. @author: Brian Intile ''' ...
NitorInc/NitoriWare
Assets/Microgames/KnifeDodge/Sprites/ResizeSprite.py
Python
mit
3,918
[ "Brian" ]
89df2968f39aa0592252364ba3d2bacd033f39ede09ab1094edbb942ba2f3e6e
#!/usr/bin/python # -*- coding: utf-8 -*- # (c) 2013, Jeroen Hoekx <jeroen.hoekx@dsquare.be>, Alexander Bulimov <lazywolf0@gmail.com> # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free So...
atlashealth/ansible-modules-extras
system/lvol.py
Python
gpl-3.0
8,348
[ "Firefly" ]
0233cb91ac4c2d78ffb4dc1504658b93e51b1ac298383f4af36fdee0ff740489
# coding=utf-8 # Copyright 2022 The Tensor2Tensor Authors. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable...
tensorflow/tensor2tensor
tensor2tensor/models/research/rl.py
Python
apache-2.0
29,682
[ "Gaussian" ]
95d031cbe72ede90e09bb4c8ce9a980413b66efe7b69ff465f3c635a76d57451
# beam_search.py - progressive widening beam search # # Copyright 2016 NetworkX developers. # # This file is part of NetworkX. # # NetworkX is distributed under a BSD license; see LICENSE.txt for more # information. """Beam search with dynamic beam width. The progressive widening beam search repeatedly executes a beam...
JamesClough/networkx
examples/algorithms/beam_search.py
Python
bsd-3-clause
3,912
[ "VisIt" ]
0663c6c531e97f4a5c1e0f42bdd501d1a44612b5c36c378a45f603b114cc527b
import sys import pytest import numpy as np from phono3py.sscha.sscha import ( DispCorrMatrix, DispCorrMatrixMesh, SupercellPhonon, ThirdOrderFC) from phonopy.phonon.qpoints import QpointsPhonon from phonopy.phonon.random_displacements import RandomDisplacements try: ModuleNotFoundError except NameError: ...
atztogo/phono3py
test/sscha/test_sscha.py
Python
bsd-3-clause
4,373
[ "phonopy" ]
1886fe5e38c17437d7dde0764488083d5d2a5d9a2fddb4e108d1c50d3779f9c9
""" Functions for manipulating, inspecting, or otherwise working with data types and data structures. """ import copy import datetime import fnmatch import functools import logging import re from collections.abc import Mapping, MutableMapping, Sequence import salt.utils.dictupdate import salt.utils.stringutils impor...
saltstack/salt
salt/utils/data.py
Python
apache-2.0
52,366
[ "VisIt" ]
f9710eccd672622a0ba43e56993c754d50f23e2991e170004fcf62f0fbf0e4e3
from flask import Flask, render_template, session, request, redirect import random app = Flask(__name__) app.secret_key = 'my_secret_key' @app.route('/') def index(): if not 'gold' in session: session['gold'] = 0 if not 'activities' in session: session['activities'] = [] return render_temp...
authman/Python201609
Jessie Smith/assignments/Flask Olympics/olympics8/server.py
Python
mit
1,465
[ "CASINO" ]
cb332b193d6cd4ed3a6d6ebd50e695c9a8ecb523a26140c3c892b615ed9955e5
from chempy.util.testing import requires from ..integrated import pseudo_irrev, pseudo_rev, binary_irrev, binary_rev try: import sympy except ImportError: sympy = None else: one = sympy.S(1) t, kf, kb, prod, major, minor = sympy.symbols( "t kf kb prod major minor", negative=False, nonnegative...
bjodah/aqchem
chempy/kinetics/tests/test_integrated.py
Python
bsd-2-clause
1,549
[ "ChemPy" ]
45340eb9303a90db811f9211b635cacc18072f3755c25e06522f32b66c355bfe
from paraview.simple import * from paraview import smtesting import vtk import vtk.vtkRenderingVolume import os paraview.simple._DisableFirstRenderCameraReset() # need a baseline? saveImage = False # check for driver support first rw = vtk.vtkRenderWindow() rw.SetSize(1,1) rw.Render() ptm = vtk.vtkProjectedTetrahedr...
HopeFOAM/HopeFOAM
ThirdParty-0.1/ParaView-5.0.1/Applications/ParaView/Testing/Python/StructuredGridVolumeRendering.py
Python
gpl-3.0
1,007
[ "ParaView", "VTK" ]
13cd691c0b14c442d2aec4a81e18b539aaf83b2f16455d1ca689d2bf27b6609e
# -*-python-*- # # Copyright (C) 2006-2013 The ViewCVS Group. All Rights Reserved. # # By using this file, you agree to the terms and conditions set forth in # the LICENSE.html file which can be found at the top level of the ViewVC # distribution or at http://viewvc.org/license-1.html. # # For more information, visit h...
marcellodesales/svnedge-console
svn-server/lib/viewvc/vcauth/svnauthz/__init__.py
Python
agpl-3.0
9,798
[ "VisIt" ]
517c3e55b38c3c0b248ec537d5ce33d709e4169a9b7c3eb7ebd471fa70c6d683
""" tests for potential.py """ import mdtraj import numpy as np from numpy.testing import (assert_almost_equal, assert_array_almost_equal, assert_allclose, assert_array_equal) from odin import potential from odin import exptdata from odin.testing import ref_file...
tjlane/odin
test/test_potential.py
Python
gpl-2.0
2,436
[ "MDTraj" ]
c3d9569156a9953c82b17a58549d8a2517e657abfa88f3c0059b5ebdadc29331
#!/usr/bin/python # -*- coding: utf-8 -*- # # Copyright: (c) 2018, F5 Networks Inc. # 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 DOCUMENTATION = r''' --- module: bigip_asm_policy_server...
F5Networks/f5-ansible-modules
ansible_collections/f5networks/f5_modules/plugins/modules/bigip_asm_policy_server_technology.py
Python
mit
13,115
[ "ASE", "Galaxy" ]
2d10c2a0d5d6173595d53abeec6eff05518c562f5e85aed8845e3db400863ac5
tests = [("python", "UnitTestPackage.py", {}), ] longTests = [] if __name__ == '__main__': import sys from rdkit import TestRunner failed, tests = TestRunner.RunScript('test_list.py', 0, 1) sys.exit(len(failed))
greglandrum/rdkit
rdkit/ML/ModelPackage/test_list.py
Python
bsd-3-clause
221
[ "RDKit" ]
24cb664559c9a37aac3e0b10392eba97c4c59d40f5e9269174cec2decd322ea8
import numpy as np from numpy import exp, sin, cos, pi, radians, degrees from sasmodels.weights import Dispersion as BaseDispersion class Dispersion(BaseDispersion): r""" Cyclic gaussian dispersion on orientation. .. math: w(\theta) = e^{-\frac{\sin^2 \theta}{2 \sigma^2}} This provides a cl...
SasView/sasmodels
example/weights/cyclic_gaussian.py
Python
bsd-3-clause
1,408
[ "Gaussian" ]
c77486297aeea9aa1ade35766b4af5ef63e4fd25209a8a83943b68bfffc3eca8
# Script to run a second derivative gaussian kernel on a grid # Author : Isabel Restrepo # 6-14-2009 import bvpl_batch import time #time.sleep(30); bvpl_batch.register_processes(); bvpl_batch.register_datatypes(); class dbvalue: def __init__(self, index, type): self.id = index # unsigned integ...
mirestrepo/voxels-at-lems
bvpl/appearance_tests.py
Python
bsd-2-clause
2,085
[ "Gaussian" ]
0ac59fea4b54cf6cb3d8309595be3a92ebf4b953c35245ca4c940b39191adb63
""" Sheet classes. A Sheet is a two-dimensional arrangement of processing units, typically modeling a neural region or a subset of cells in a neural region. Any new Sheet classes added to this directory will automatically become available for any model. """ # Imported here so that all Sheets will be in the same pack...
ioam/topographica
topo/sheet/__init__.py
Python
bsd-3-clause
15,889
[ "NEURON" ]
b53bfd8c6517504a0cf6f10f260dd073b0197b39983dc761b580bf1417727489
# (C) British Crown Copyright 2010 - 2017, Met Office # # This file is part of Iris. # # Iris 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 3 of the License, or # (at your option) any l...
zak-k/iris
lib/iris/tests/test_cf.py
Python
gpl-3.0
14,796
[ "NetCDF" ]
118bf84f3d3f40669f82bb1e01bc70ef1e0d06568fa466e8af99a665fe0e027b
""" .. _sfm-track: ================================================== Tracking with the Sparse Fascicle Model ================================================== Tracking requires a per-voxel model. Here, the model is the Sparse Fascicle Model, described in [Rokem2014]_. This model reconstructs the diffusion signal as...
mdesco/dipy
doc/examples/sfm_tracking.py
Python
bsd-3-clause
4,934
[ "Brian" ]
476560b424ccdd7f2226efec8ac60ae2370e38dc15afdff686776e758c25ee17
#!/usr/bin/python # -*- coding: utf-8 -*- # --------------------------------------------------------------------- # Copyright (c) 2012 Michael Hull. # All rights reserved. # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions # are m...
mikehulluk/morphforge
src/morphforge/core/__init__.py
Python
bsd-2-clause
2,453
[ "Mayavi" ]
c98f3284afd9d997e6e5d5e8abcd78f657246a5e6d33422f2fa7e8185317689d
from io import StringIO from collections import defaultdict from numpy.testing import ( assert_equal, assert_array_equal,) import pytest import MDAnalysis from MDAnalysis.analysis.hydrogenbonds.wbridge_analysis import ( WaterBridgeAnalysis, ) class TestWaterBridgeAnalysis(object): @staticmethod @pyt...
MDAnalysis/mdanalysis
testsuite/MDAnalysisTests/analysis/test_wbridge.py
Python
gpl-2.0
34,326
[ "MDAnalysis" ]
6d8fc4bc6de530d0ef4f085b1a13170f93d6312ab92604a7496701abbc4b93da
#!/usr/bin/env python3 """ refguide_check.py [OPTIONS] [-- ARGS] - Check for a NumPy submodule whether the objects in its __all__ dict correspond to the objects included in the reference guide. - Check docstring examples - Check example blocks in RST files Example of usage:: $ python refguide_check.py optimize...
numpy/numpy
tools/refguide_check.py
Python
bsd-3-clause
38,678
[ "Gaussian" ]
44a3245bf13a349eac4658635058338196a78afb7ada35ddc2bf584dcf34c9e5
######################################################################## # Author: Krzysztof.Ciba@NOSPAMgmail.com # Date: 2012/07/19 12:16:39 ######################################################################## """ :mod: TypedListTests ======================= .. module: TypedListTests :synopsis: tes...
arrabito/DIRAC
Core/Utilities/test/Test_TypedList.py
Python
gpl-3.0
2,911
[ "DIRAC" ]
fd85d76a949433226caa94671c28d9c8a662af4d3c7701dfe00601579cc055bb
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import os import unittest import pymatgen from pymatgen.analysis.cost.cost import CostDBCSV, CostAnalyzer, CostDBElements module_dir = os.path.join(os.path.dirname(pymatgen.__file__), '..', 'test_files') clas...
dongsenfo/pymatgen
pymatgen/analysis/cost/tests/test_cost.py
Python
mit
1,560
[ "pymatgen" ]
fa3751b8c1b79ff820ba300b8feab1ddee4c5369230218725344b245ad703cba
#!/usr/bin/env python2 # -*- coding: utf-8 -*- """ trueCoverage_rematch.py - Estimate the true bacterial chromosome coverage and detects contamination with different strain or species. Copyright (C) 2018 Miguel Machado <mpmachado@medicina.ulisboa.pt> Last modified: February 27, 2018 This program is free software: ...
B-UMMI/INNUca
modules/trueCoverage_rematch.py
Python
gpl-3.0
22,715
[ "Bowtie" ]
022e45ab2dacede497f9c54173ce74cc8b6ddaf2af1ad580b2464c515abcf656
########################################################################## # this script was generated by openmm-builder. to customize it further, # you can save the file to disk and edit it with your favorite editor. ########################################################################## from __future__ import pri...
LCLS/Protein-Folding-Sims
hp24stab/amber03/CUDA/amber03_implicit_noconstraints.py
Python
mit
1,698
[ "OpenMM" ]
e200bc6039ea05f1650a16182b09a631e3cd66091bb8d4a2604fa5c3c6fc3e2a
import numpy as np from six import string_types, integer_types from .util import is_missing from .descriptor import Descriptor class Result(object): r"""Result type.""" __slots__ = ("mol", "_values", "_descriptors", "_name_to_value") def __init__(self, mol, r, d): self.mol = mol self._v...
mordred-descriptor/mordred
mordred/_base/result.py
Python
bsd-3-clause
4,323
[ "RDKit" ]
e62d7598cc90628f77a763755a9909315f790d063490d9f94a8c7e13870cfdbd
from __future__ import print_function import os import shutil import itertools import tempfile import subprocess from distutils.spawn import find_executable import numpy as np import mdtraj as md from mdtraj.testing import get_fn, eq, skipif HAVE_DSSP = find_executable('mkdssp') DSSP_MSG = "This test requires mkdss...
ctk3b/mdtraj
mdtraj/geometry/tests/test_dssp.py
Python
lgpl-2.1
3,549
[ "MDTraj" ]
762b68f01ecc2e68fff67aef97cd962e7e030109eb3d0344b5c3c118fba6fef5
# Copyright 2000 by Jeffrey Chang. All rights reserved. # Copyright 2001 by Gavin E. Crooks. All rights reserved. # Modifications Copyright 2004/2005 James Casbon. # Copyright 2005 by Regents of the University of California. All rights reserved # (Major rewrite for conformance to corebio. Gavin Crooks) # # This c...
NarlikarLab/DIVERSITY
weblogoMod/corebio/db/astral.py
Python
gpl-3.0
12,519
[ "Biopython" ]
03e60a9d39d36bed6848d81538892afd396b763db1f2e862873a58cc081366c2
""" Author: Thomas G. Close (tclose@oist.jp) Copyright: 2012-2014 Thomas G. Close. License: This file is part of the "NineLine" package, which is released under the MIT Licence, see LICENSE for details. """ from __future__ import absolute_import try: from mpi4py import MPI # @UnresolvedImport @Unu...
tclose/PyPe9
pype9/simulate/neuron/network/cell_wrapper.py
Python
mit
2,278
[ "NEURON" ]
352530795f5972f3df5e62bd6d98f8c138d39af43fe0c02bc286f2d0093306d7
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ The phasediagram package implements the analysis tools to perform phase stability analyses, including the constructing of phase diagrams, determination of decomposition products, etc. The package is designe...
migueldiascosta/pymatgen
pymatgen/phasediagram/__init__.py
Python
mit
410
[ "pymatgen" ]
60d5b017278ed59c2f604e875e9e957349031fd12b81586ae022cc43a21da222
############################################################################## # 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...
krafczyk/spack
var/spack/repos/builtin/packages/spglib/package.py
Python
lgpl-2.1
1,724
[ "CRYSTAL" ]
541421509f89b1964589c7fd7957c878b7594a39eab7e5e0dd791a2f7c10ab94
# Copyright 2020 Makani Technologies LLC # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to...
google/makani
avionics/network/network_util.py
Python
apache-2.0
27,972
[ "VisIt" ]
ed8f079b7545d6aa3a4748b4dab1eca0f6377d55620fee1e06cf705c52dba493
# This file is part of BurnMan - a thermoelastic and thermodynamic toolkit for the Earth and Planetary Sciences # Copyright (C) 2012 - 2015 by the BurnMan team, released under the GNU # GPL v2 or later. """ example_user_input_material --------------------------- Shows user how to input a mineral of his/her choice w...
CaymanUnterborn/burnman
examples/example_user_input_material.py
Python
gpl-2.0
5,259
[ "Avogadro" ]
dda3a8469e8c8d122d319ccadb71aeb7f01f7064b7dc6eeb86a763a9b450db9c
######################################################################## # File : AgentModule.py # Author : Adria Casajus ######################################################################## """ Base class for all agent modules """ from __future__ import absolute_import from __future__ import division from __...
yujikato/DIRAC
src/DIRAC/Core/Base/AgentModule.py
Python
gpl-3.0
20,512
[ "DIRAC" ]
157cb4fa27397f18f3332802b6fdc821f49d7c9702dca417cce7561344b53772
from spectrum import * from numpy.testing import assert_almost_equal import pytest def test_class_Window(): w = Window(65, name='hann') w.enbw w.mean_square w.frequencies w.plot_time_freq() w.compute_response(NFFT=32) try: w = Window(64, name='wrong') assert False ex...
cokelaer/spectrum
test/test_window.py
Python
bsd-3-clause
9,764
[ "Gaussian" ]
6c55017c3ba17228953863383416033a038cfc2c3304d1e3b3065ed7df18cdbe
""" This class brings together a L{solve.Solver} to choose a set of implmentations, a L{fetch.Fetcher} to download additional components, and the user's configuration settings. @since: 0.53 """ # Copyright (C) 2011, Thomas Leonard # See the README file for details, or visit http://0install.net. from zeroinstall impor...
timdiels/0install
zeroinstall/injector/driver.py
Python
lgpl-2.1
7,057
[ "VisIt" ]
bf40e8156b9dc95f533d8747e42d2bc9f06545b42fc06814cf3f607055be875d
#!/usr/bin/env python # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # Main Madpack installation executable. # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # import sys import getpass import re import os import glob import traceback import subprocess import datetime import tempfile import shutil...
cooper-sloan/incubator-madlib
src/madpack/madpack.py
Python
apache-2.0
62,959
[ "ORCA" ]
5d8f1d08e4f632aee3624fac4a0f32cc675e8072a770a55666d4965a6a516692
import os def read_babel_set(filename,atom): #os.system('babel -i cml %s -o mol2 %s.mol2' % (filename,filename)) newfile = '%s.mol2' % filename run_antechamber(newfile,atom) def run_antechamber(filename,atom): #os.system('module load amber') #os.system('antechamber -i %s -fi mol2 -o %s -fo mol2 -...
sipjca/cmlparser_py
babel.py
Python
apache-2.0
842
[ "Amber" ]
b5f6df2fdc2cf99b28c2c0f6906f968f0fb464ad28f2669afd61edd6aca9b97b
""" Provides Accounting functionality to DIRAC It includes 2 different Services: * DataStore: where new records are inserted * ReportGenerator: that produce reports using the inserted records and the associated Clients: * DataStoreClient * ReportsClient DIRAC Accounting uses a number of predefined Types that must in...
ic-hep/DIRAC
src/DIRAC/AccountingSystem/__init__.py
Python
gpl-3.0
649
[ "DIRAC" ]
81d279eab842a38958f2102c5cdc92cc04d7bbda32d8934c74c7cb0fd7a62f15
# # Copyright (C) 2009, 2015, 2016, 2017, 2018, 2019, 2020 # Smithsonian Astrophysical Observatory # # # 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 Lic...
anetasie/sherpa
sherpa/stats/__init__.py
Python
gpl-3.0
37,702
[ "Gaussian" ]
f33c1ef5cbb8be1f8270f4c6d644b54d5ef8244118227e4b2b771adfa577cba9
# $Id$ # # Copyright (c) 2007, Novartis Institutes for BioMedical Research Inc. # All rights reserved. # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions are # met: # # * Redistributions of source code must retain the above...
AlexanderSavelyev/rdkit
Projects/DbCLI/CreateDb.py
Python
bsd-3-clause
20,730
[ "RDKit" ]
e28c7b1aeabc2585ba2c228882363431c11cf8ebf0e1eaddb712c34ab15c6f72
from __future__ import unicode_literals import io import json import traceback import hashlib import os import subprocess import sys from zipimport import zipimporter from .compat import compat_realpath from .utils import encode_compat_str from .version import __version__ def rsa_verify(message, signature, key): ...
mx3L/archivczsk
build/plugin/src/resources/libraries/youtube_dl/update.py
Python
gpl-2.0
7,957
[ "VisIt" ]
5c978e036d24bccda9fbaadd5a07b23258d2424978d4267ec85094fcbaf61e2a
# -*- coding: utf-8 -*- from __future__ import absolute_import from __future__ import print_function from __future__ import unicode_literals import click from flask.cli import with_appcontext from flask import current_app click.disable_unicode_literals_warning = True import os @click.group() def pfamscan(): "...
ecolell/pfamserver
pfamserver/commands/library/pfamscan.py
Python
agpl-3.0
1,820
[ "MOOSE" ]
8d446fbb8ba92fe73c27f704053fa057723f9da0b0ad4b926167f4649d84f04d
# -*- mode: Python; indent-tabs-mode: nil -*- # import awe import numpy as np import sys import os #-----Simulation Default Values----- iterations = 5 nwalkers = 4 nstates = 100 restarts = float('inf') maxreps = 50 #-----WQ Default Values----- wq_port = 9123 wq_fast_abort_multiplier = -1.0 #-----Get u...
cooperative-computing-lab/awe
awe-ala.py
Python
gpl-2.0
5,432
[ "Gromacs" ]
b492a3119d9b5fd62d37ada2f54b0fff94cbc53debb621e9fac609c9885bf9c3
""" Collection of user jobs for testing purposes """ import os from DIRAC.tests.Utilities.utils import find_all from DIRAC.Interfaces.API.Job import Job from DIRAC.Interfaces.API.Dirac import Dirac # parameters # Common functions def getJob( jobClass = None ): if not jobClass: jobClass = Job oJob = jobClass...
Andrew-McNab-UK/DIRAC
tests/Utilities/testJobDefinitions.py
Python
gpl-3.0
1,543
[ "DIRAC" ]
deea7d8d84b56b078f951919daaac8d6330371859f27b706206c27a45818b7b3
from ase.constraints import FixAtoms as ASE_FixAtoms from ase.constraints import Filter as ASE_Filter import numpy as np class ConstraintMixin: """Mixin class FixAtoms and Filter""" def prepare_for_asap(self, atoms): """Prepare this constraint for optimized Asap dynamics This...
auag92/n2dm
Asap-3.8.4/Python/asap3/constraints.py
Python
mit
3,624
[ "ASE" ]
dd8e9a25b69944c34fc41ab6d3ef457c02ad0ca99361d670e104da5e5da03ed0
###UI #Copyright 2005-2008 J. David Gladstone Institutes, San Francisco California #Author Nathan Salomonis - nsalomonis@gmail.com #Permission is hereby granted, free of charge, to any person obtaining a copy #of this software and associated documentation files (the "Software"), to deal #in the Software withou...
kdaily/altanalyze
UI.py
Python
apache-2.0
382,733
[ "Cytoscape" ]
dcc010ab148e0e1c01b269c3abbdc34ea17d07dd84c252d1ff02a38ef8574f9d
# -*- Mode: Python; coding: utf-8 -*- # vi:si:et:sw=4:sts=4:ts=4 ## ## Copyright (C) 2014 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 General Public License as published by ## the Free Soft...
andrebellafronte/stoq
plugins/bikeshop/bikeshopui.py
Python
gpl-2.0
1,591
[ "VisIt" ]
fcd66eeaddf6326724f81546957542ada19c549c279f87dfedfdbee410558532
''' Functions and classes for generating 1D random fields. The functions **randn1d** and **multirandn1d** are similar to the **numpy.random.randn** and **np.random.multivariate_normal** functions. If a large number of random fields are required (e.g. for RFT validations) it may be more efficient to use the **Generator...
0todd0000/spm1d
spm1d/rft1d/random.py
Python
gpl-3.0
8,036
[ "Gaussian" ]
b5d4fc840a5f7c8e57de180a38ec6480dff034e2620bf2e43f7f69f618e9541f
#!/usr/bin/env python3 # -*- coding: utf-8 -*- # # SQRL Server (Python) documentation build configuration file, created by # sphinx-quickstart on Wed Jun 28 05:29:34 2017. # # This file is execfile()d with the current directory set to its # containing dir. # # Note that not all possible configuration values are present...
Perlkonig/sqrlserver-python
docs/conf.py
Python
mit
9,574
[ "Dalton" ]
82340f4c21121fc046b3329d8ec63fea3e38a0900776e89e853114dedd501da7
"""This module contains the "Viz" objects These objects represent the backend of all the visualizations that Superset can render. """ from __future__ import absolute_import from __future__ import division from __future__ import print_function from __future__ import unicode_literals import copy import hashlib import l...
lina9527/easybi
viz.py
Python
mit
54,580
[ "VisIt" ]
2cdcb39f79ec70e41e65226893558f5faf5b55184ce9f267ee06de658b3f75c1
from datetime import datetime from dateutil.relativedelta import relativedelta from django.test import TestCase, tag from ..visit import WindowPeriod from ..visit import Visit, VisitCodeError, VisitDateError class TestVisit(TestCase): def test_repr(self): visit = Visit(code='1000', ...
botswana-harvard/edc-visit-schedule
edc_visit_schedule/tests/test_visit.py
Python
gpl-2.0
4,371
[ "VisIt" ]
39473f6c9bedfa193043a31cb28c4b7514502d8a846c81d19d1eda1f4e54e9fb
from django.test import SimpleTestCase from corehq.apps.app_manager.tests.app_factory import AppFactory from corehq.apps.app_manager.tests.util import TestXmlMixin, patch_get_xform_resource_overrides from corehq.util.test_utils import flag_enabled @patch_get_xform_resource_overrides() class GridMenuSuiteTests(Simple...
dimagi/commcare-hq
corehq/apps/app_manager/tests/test_grid_menus.py
Python
bsd-3-clause
8,419
[ "VisIt" ]
d66a0979bb1ff0302b79860cf1c7e6bc2f9632ffac337d229d75df3183032b0e
#!/opt/local/bin/python """ Calculate the total energy as a function of lattice constant, by altering the lattice constant in in.pw file. And if possible, calculate equilibrium lattice size and bulk modulus, too. Assume using Quantum ESPRESSO (QE). PREPARE mode creates directories and in.pw files to be computed by QE....
ryokbys/nap
nappy/espresso/etot_vs_size.py
Python
mit
8,878
[ "ASE", "Quantum ESPRESSO", "VASP" ]
535d1309b3c16d109803fd809687d594b6ea824ad220ed689a910652cf0bf183
import ast import configparser import os import botocore.session import botocore.exceptions from platform import system from types import MethodType def get_prepared_config( profile, region, ssl_verification, adfs_ca_bundle, adfs_host, output_format, provider_id...
venth/aws-adfs
aws_adfs/prepare.py
Python
mit
9,150
[ "ADF" ]
ae09b620d7ed7fe21b2171acf5305dcf13f898a59b9e5046d3827c5bb8b84e7a
# Copyright (C) 2008-2009 Mark A. Matienzo # # This file is part of worldcat, the Python WorldCat API module. # # worldcat 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 # ...
anarchivist/worldcat
worldcat/request/search.py
Python
gpl-3.0
8,497
[ "ASE" ]
a6a338c2f76bc20c8e56c1c3194fec9faf2df50daf490c3585220c24b6807030
""" molvs.cli ~~~~~~~~~ This module contains a command line interface for standardization. :copyright: Copyright 2016 by Matt Swain. :license: MIT, see LICENSE file for more details. *Adapted for purposes of integration of MolVS into RDKit """ import argparse import logging import sys from rdkit import Chem from r...
bp-kelley/rdkit
Contrib/MolVS/molvs_cli.py
Python
bsd-3-clause
3,536
[ "RDKit" ]
04e2210436e49ac9d08ad3beefa967b0470e66d340e5be9c0737c83a23184dc3
# Copyright (c) 2013, Web Notes Technologies Pvt. Ltd. and Contributors # License: GNU General Public License v3. See license.txt from __future__ import unicode_literals import webnotes import webnotes.utils from webnotes.utils import cstr, flt, getdate from webnotes.model.bean import getlist from webnotes.model.code...
saurabh6790/tru_app_back
selling/doctype/sales_order/sales_order.py
Python
agpl-3.0
16,170
[ "VisIt" ]
f319a73c0a92212eeb18d514d4ce31b3621111b6e36329da891a9ac62b201207
""" Copyright (c) 2009 John Markus Bjoerndalen <jmb@cs.uit.no>, Brian Vinter <vinter@nbi.dk>, Rune M. Friborg <rune.m.friborg@gmail.com>. See LICENSE.txt for licensing details (MIT License). """ from pycsp_import import * import sys @process def source(chan_out): for i in range(10): chan_out("Hello...
runefriborg/pycsp
examples/TerminationRaceRetire.py
Python
mit
550
[ "Brian" ]
7446af6971c8759e490160ea8f9b8bcc78c2ddbe8e43ddeead849fc7dd2ed9c9
import factory # http://factoryboy.readthedocs.org/en/latest/index.html from tao.models import Job, TaoUser, Simulation, GalaxyModel, DataSet, DataSetProperty, StellarModel, Snapshot, BandPassFilter, DustModel, GlobalParameter, WorkflowCommand, SurveyPreset class UserFactory(factory.Factory): FACTORY_FOR = TaoUse...
IntersectAustralia/asvo-tao
web/tao/tests/support/factories.py
Python
gpl-3.0
5,101
[ "Galaxy" ]
b48a9827dca1e801ce7be35d6950421d5412562ac37b5209f64b2e526bab7c59
######################################################################## # # (C) 2015, Brian Coca <bcoca@ansible.com> # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation...
goozbach/ansible
lib/ansible/galaxy/__init__.py
Python
gpl-3.0
2,428
[ "Brian", "Galaxy" ]
7c7b36827fdafbbd40de5cb2e737162e2205af53b91885edbd266806af09054e
# -*-python-*- # # Copyright (C) 1999-2006 The ViewCVS Group. All Rights Reserved. # # By using this file, you agree to the terms and conditions set forth in # the LICENSE.html file which can be found at the top level of the ViewVC # distribution or at http://viewvc.org/license-1.html. # # For more information, visit h...
foresthz/fusion5.1
www/scm/viewvc/lib/vclib/ccvs/rcsparse/__init__.py
Python
gpl-2.0
704
[ "VisIt" ]
6cb25f7eb24c0d7c59abfaf03a50736bf4c326c235ca2410d824036f4e3f500f
# 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...
capoe/espressopp.soap
src/integrator/MDIntegrator.py
Python
gpl-3.0
2,807
[ "ESPResSo" ]
bc147dfd00114c39981df4b644a33b8aa05f3049825eca9b98556a3ba982fad9
#!/galaxy/home/mgehrin/hiclib/bin/python """ Writes compressed data from a wiggle file by chromosome. usage: %prog score_file < wiggle_data """ from __future__ import division import sys import psyco_full import bx.wiggle from bx.binned_array import BinnedArray from fpconst import isNaN from bx.cookbook import doc_...
bxlab/HiFive_Paper
Scripts/HiCLib/bx-python-0.7.1/build/scripts-2.7/wiggle_to_chr_binned_array.py
Python
bsd-3-clause
947
[ "Galaxy" ]
09487ad05331386f7b49f10ab740d0baef23d5d9b97b8b1586305cc3253b15e2
#!/usr/bin/env python # -*- coding: utf-8 -*- """Defines classes and methods used for recurrent neuronal networks. Copyright (C) 2012 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 Fr...
LFPy/LFPy
LFPy/network.py
Python
gpl-3.0
69,051
[ "NEURON" ]
e8907f13bebfa657e927bc6eac7b2255c2ee26a340b7d7dcc81692f3f743ada1
from __future__ import absolute_import from __future__ import print_function import unittest from pymatgen.util.testing import PymatgenTest from pymatgen.analysis.adsorption import * from pymatgen.symmetry.analyzer import SpacegroupAnalyzer from pymatgen import Structure, Lattice, Molecule test_dir = os.path.join(os...
czhengsci/pymatgen
pymatgen/analysis/tests/test_adsorption.py
Python
mit
8,128
[ "pymatgen" ]
38848a00c08dfb01c547b0174d0ef8a2fff8096c8b7827ce166f9aa15931bfcd
''' digitallockin.py, Digital Lockin amplifier using NI PXI devices Copyright: Zeust the Unoobian <2noob2banoob@gmail.com>, 2014 This file is part of DigitalLockin. DigitalLockin is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the ...
zeusttu/DigitalLockin
digitallockin.py
Python
gpl-3.0
27,071
[ "Gaussian" ]
41e923b27a7c3726e0360b88ac65dd071285927d896abe7f624a55f08deaa5eb
from numpy import linspace, zeros, array, meshgrid, abs, empty, arange, \ int32, unravel_index, dtype from multiprocessing import Pool from ..solvers import solver_dict, get_solver_name # attempt to import plotting libraries try: from matplotlib import pyplot from mpl_toolkits.mplot3d import axes3d except...
JuBra/cobrapy
cobra/flux_analysis/phenotype_phase_plane.py
Python
lgpl-2.1
12,249
[ "Mayavi" ]
87f9ac34f5395c3c6e5b9cd1da002a0cffd762d164a6915415bbe4af54c5df4d
# (c) 2013-2014, Michael DeHaan <michael.dehaan@gmail.com> # Stephen Fromm <sfromm@gmail.com> # Brian Coca <briancoca+dev@gmail.com> # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as publish...
sileht/ansible
lib/ansible/runner/action_plugins/assemble.py
Python
gpl-3.0
4,345
[ "Brian" ]
55dbee2d4b60a371f36fb5b16b8fa1dbc7c76be74fbb84d939f6c81723e439cb
#!/usr/bin/env python3 #* This file is part of the MOOSE framework #* https://www.mooseframework.org #* #* All rights reserved, see COPYRIGHT for full restrictions #* https://github.com/idaholab/moose/blob/master/COPYRIGHT #* #* Licensed under LGPL 2.1, please see LICENSE for details #* https://www.gnu.org/licenses/lgp...
nuclear-wizard/moose
python/MooseDocs/test/common/test_box.py
Python
lgpl-2.1
833
[ "MOOSE" ]
57239e5f8c052b6418380b861056e03e51a64b26e1d8b469e1455d802f1beecd
"""Ordinary Least Squares regression classes.""" __author__ = "Luc Anselin luc.anselin@asu.edu, David C. Folch david.folch@asu.edu" import numpy as np import copy as COPY import numpy.linalg as la import user_output as USER import summary_output as SUMMARY import robust as ROBUST from utils import spdot, sphstack, Reg...
pastephens/pysal
pysal/spreg/ols.py
Python
bsd-3-clause
19,613
[ "COLUMBUS" ]
417e7903b281ad559905083b4110d42b6e1ee181d5b0be0cbd7d96484272dff5
""" Gaussian mixture model vs. hidden Markov model with Gaussian mixture emissions vs. hidden Markov model. """ import sdsModels as sdsm exp = sdsm.Experiment(pathToData='../data/complete_april_2014_ratings-latest.csv') exp2 = sdsm.Experiment(pathToData='../data/complete_april_2014_ratings-latest.csv') gmmhmm = sdsm...
phihes/sds-models
examples/all_models_different_features__plain.py
Python
mit
1,051
[ "Gaussian" ]
538735de047779d2cbc145e5125a59805731f7b6285a4ab53c7ce87b3b1cfed9
# changelog bisection for mercurial # # Copyright 2007 Matt Mackall # Copyright 2005, 2006 Benoit Boissinot <benoit.boissinot@ens-lyon.org> # # Inspired by git bisect, extension skeleton taken from mq.py. # # This software may be used and distributed according to the terms of the # GNU General Public License version 2 ...
iaddict/mercurial.rb
vendor/mercurial/mercurial/hbisect.py
Python
mit
9,226
[ "VisIt" ]
82d9a1cdbfe930cd84b89b75c1c811bf9709fa8ad803688cf5019a79a67279d7
from django.test import TestCase from django.core import mail from django.core.urlresolvers import reverse from django.contrib.auth.models import User from model_mommy import mommy from .models import Location class DetailTest(TestCase): def setUp(self): user = User.objects.create_user('test', 'no@no.no...
nasa/39A
spaceapps/locations/tests.py
Python
apache-2.0
9,651
[ "VisIt" ]
020efcb62d43a687f605dbed282484e27cf4f2a92cd7799a084535068735a619
from ase.lattice.surface import fcc100, add_adsorbate from gpaw import GPAW from gpaw.poisson import PoissonSolver from gpaw.dipole_correction import DipoleCorrection slab = fcc100('Al', (2, 2, 2), a=4.05, vacuum=7.5) add_adsorbate(slab, 'Na', 4.0) slab.center(axis=2) slab.calc = GPAW(txt='zero.txt', ...
robwarm/gpaw-symm
doc/tutorials/dipole_correction/dipole.py
Python
gpl-3.0
777
[ "ASE", "GPAW" ]
728fbf431b1cb91ed371ba23dd912a012752e8412554bf46d40246ed33b31e0f
"""Copyleft 2010 Forrest Sheng Bao http://fsbao.net PyEEG, a Python module to extract EEG features, v 0.02_r2 Project homepage: http://pyeeg.org **Data structure** PyEEG only uses standard Python and numpy data structures, so you need to import numpy before using it. For numpy, please visit http://numpy.scipy.org ...
fergalbyrne/nupic.kaggle-eeg
tools/pyeeg.py
Python
gpl-3.0
22,998
[ "VisIt" ]
a90365b66d25d616adae31f318bf04119218b4b5dba944eb91773790ad10725b
#!/usr/bin/env python # -*- coding: utf-8 -*- import numpy as np import logging as log from synergetics.config import config as cfg from synergetics.neurons.neurons import Neuron class LIF(Neuron): def __init__(self, position, excitatory=True, update_rule= Default_update(), discover_ru...
synergetics/neuron
src/neurons/LIF/LIF.py
Python
mit
488
[ "NEURON" ]
c1a3d3749bde63f978ea36b3ff3c103f9ca6facfac838cb7ce1dc610565749dc
""" idnest """ __author__ = "Brian Balsamo" __email__ = "balsamo@uchicago.edu" __version__ = "0.0.1" from uuid import uuid4 from abc import ABCMeta, abstractmethod import logging from flask import Blueprint, jsonify, abort, Response from flask_restful import Resource, Api, reqparse import redis from pymongo import ...
uchicago-library/idnest
idnest/blueprint/__init__.py
Python
gpl-3.0
17,401
[ "Brian" ]
ee64f4e864887143e30ff4ec618823216fdfaa59d49f78e2badea8770ea9812b
# -*- coding: utf-8 -*- # Generated by Django 1.11.9 on 2018-01-18 17:09 from __future__ import unicode_literals import advisornotes.models import autoslug.fields import django.core.files.storage from django.db import migrations, models import django.db.models.deletion class Migration(migrations.Migration): dep...
sfu-fas/coursys
advisornotes/migrations/0006_on_delete.py
Python
gpl-3.0
8,094
[ "VisIt" ]
fad20dc48f8d817b4a24e9b1f5e10cf7dbcda9ad8e9047b8c03e1c0b2a4165aa
#!/home/scollis/anaconda/bin/python from __future__ import print_function import netCDF4 #import time def grab_hrrr_slice(outname, reftime_index, time1_index): """ Grab select variables and reftime/time1 slice from HRRR file. """ ncep_hrrr = netCDF4.Dataset('http://thredds-jumbo.unidata.ucar.edu/thredds/dodsC...
scollis/SULI-2015
code/get_hrrr.py
Python
bsd-2-clause
2,256
[ "NetCDF" ]
e6b80e9bcc67d11670b71e0bcac19f8f5e429f079c0b4634f53046c116215222
from bs4 import BeautifulSoup import requests from operator import itemgetter class TopMembers: def __init__(self, username, password): self.username = username self.password = password self.members = [] #Start session self.session = requests.Session() def __popupula...
rbonick/care-tags_scripts
care_tags_topposts/topmembers.py
Python
mit
4,751
[ "VisIt" ]
58ccdbf5d79ff7903e688f54d517e194b5b0d22d3a344cbe25a4c90d57ae2aa2
from ase.atoms import Atom, Atoms from ase.calculators.singlepoint import SinglePointDFTCalculator def read_gpaw_text(fileobj, index=-1): if isinstance(fileobj, str): fileobj = open(fileobj) def index_startswith(lines, string): for i, line in enumerate(lines): if line.startswith(s...
slabanja/ase
ase/io/gpawtext.py
Python
gpl-2.0
3,757
[ "ASE", "GPAW" ]
d7df74c9b8c8c2c3b2d7628d0d9084f315f69df1fbb4f11dd0ccd082fd5d4b68
#!/usr/bin/python # # Copyright (c) 2012 The Native Client Authors. All rights reserved. # Use of this source code is governed by a BSD-style license that can be # found in the LICENSE file. # """ Checks (rule) patterns associated with rows in tables, and adds an additional column to each row (in each table) which cap...
wilsonianb/nacl_contracts
src/trusted/validator_arm/dgen_add_patterns.py
Python
bsd-3-clause
10,951
[ "VisIt" ]
4b705b7111d254ce9bfce323b81be7d48167f43c51a7a90752d7ef76bd61eae4
__all__ = [ 'CombineTables', 'ReshapeTable', 'ExtractArray', 'SplitTableOnArray', 'AppendTableToCellData', ] __displayname__ = 'Table Operations' import numpy as np import vtk from vtk.numpy_interface import dataset_adapter as dsa import pyvista as pv from .. import _helpers, interface from ..ba...
banesullivan/ParaViewGeophysics
PVGeo/filters/tables.py
Python
bsd-3-clause
15,362
[ "ParaView", "VTK" ]
dba7903a7ca9da3207b669327448361341c39f8ce6bf3b78cf408154026d26a2
# Orca # # Copyright 2005-2009 Sun Microsystems Inc. # # This library is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public # License as published by the Free Software Foundation; either # version 2.1 of the License, or (at your option) any later version. # # This...
ruibarreira/linuxtrail
usr/lib/python3/dist-packages/orca/scripts/apps/gdmlogin/__init__.py
Python
gpl-3.0
845
[ "ORCA" ]
7c252a75f4e7db2bc99d67fcc96997a21279067d3dce0600833bdb3f21ccdced
# KSparseVector.py # # This python script uses distributed-memory library # Elemental. # # Copyright 2012, Hatef Monajemi (monajemi@stanford.edu) # http://www.stanford.edu/~monajemi def KSparseVector(k,N,field='R'): # Have the root process (rank=0) broadcast its seed # Have each process set its seed to the broadcaste...
monajemi/TensorPT
Python/DEP/kSparseVector.py
Python
bsd-3-clause
788
[ "Gaussian" ]
34155c7335bab69f4285050f4fc154bc26409aae2d4094d4007d38fafe742400
# (c) 2015 - Jaguar Land Rover. # # Mozilla Public License 2.0 # # Library to process updates import json import os import subprocess import dbus import swm # # Software operation # Contains a single software operation # loaded from a manifest file. # class SoftwareOperation: def __init__(self, manifest, op_obj):...
magnusfeuer/genivi_software_management
software_loading_manager/software_operation.py
Python
mpl-2.0
7,694
[ "Jaguar" ]
63ab654a7a202fa608593f580618ef3aad915cb48045535ada11f35d4e27e3aa
"""Miscellaneous utilities.""" import numpy as np import logging class Normalizer(): """ An abstract class for normalizing inputs. """ def normalize(self, X): raise NotImplementedError() def unnormalize(self, X): raise NotImplementedError() class BoundedNormalizer(Normalizer): ...
meyersw3476/active_subspaces
active_subspaces/utils/misc.py
Python
mit
8,530
[ "Gaussian" ]
48e603242765287601ce9c883e491ce1aac2736d2edff8c865d54f64e82bb859
########################################################################## # # Copyright (c) 2015, John Haddon. All rights reserved. # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions are # met: # # * Redistributions of so...
lucienfostier/gaffer
python/GafferImageUI/BlurUI.py
Python
bsd-3-clause
2,831
[ "Gaussian" ]
dd00b6b1baa72750a3997454297dea605ed4dd18ccf7932f69d65e7c6fad9bdf
#!/usr/bin/env phenix.python """ xds_plot_integrate.py (c) RIKEN 2015. All rights reserved. Author: Keitaro Yamashita This software is released under the new BSD License; see LICENSE. """ """ TODO: plot differences in direct beam and rotation axis """ import sys import re import collections from cctbx import sgtbx...
keitaroyam/yam_scripts
xds_plot_integrate.py
Python
bsd-3-clause
8,422
[ "CRYSTAL" ]
85742eedb368bd7fbe8b6e48fa1d89cfade5593a7b752fdb6364f06783c74b2d
# -*- coding: utf-8 -*- """ Unit tests for instructor.api methods. """ import datetime import ddt import random import pytz import io import json import os import requests import shutil import tempfile from urllib import quote from django.conf import settings from django.contrib.auth.models import User from django.cor...
mtlchun/edx
lms/djangoapps/instructor/tests/test_api.py
Python
agpl-3.0
177,188
[ "VisIt" ]
2d50eb94961e1024c3cecd79e21a8525e3c61b7f3f1fbc76a8ada9d4eb7adb4a
from pymol.cgo import * from pymol import cmd from random import random, seed from chempy import cpv obj = [] scale = 1.0 # display VMD-like coordinate axes obj.extend( [ SAUSAGE, 0.0, 0.0, 0.0, # XYZ 1 scale, 0.0, 0.0, # XYZ 2 0.1 * scale, # Radius ...
gratefulfrog/lib
python/pymol/pymol_path/examples/devel/cgo_axes.py
Python
gpl-2.0
2,380
[ "ChemPy", "PyMOL", "VMD" ]
73382231a5e122be87d3147453fff5868cb582a0fa271c31ec01798b04010d71
# Git version - should use this one for now. print "Welcome to BOBadventure, please enter your name and hit 'Enter' to see more text. To make a choice, please enter the character infront of the option then hit 'Enter'. You might encounter questions that requires you to check on the internet." name= raw_input("What is y...
Jawcris/BOBadevnture
word_adventure.py
Python
apache-2.0
41,526
[ "VisIt" ]
bb0276ce0fd1db4b90052295fe6abcd59ab4c49cb834f4b7c65dace5c2817aac
# -*- coding: utf-8 -*- """ End-to-end tests for Student's Profile Page. """ from datetime import datetime from common.test.acceptance.pages.common.auto_auth import AutoAuthPage from common.test.acceptance.pages.common.logout import LogoutPage from common.test.acceptance.pages.lms.learner_profile import LearnerProfi...
stvstnfrd/edx-platform
common/test/acceptance/tests/lms/test_learner_profile.py
Python
agpl-3.0
6,505
[ "VisIt" ]
fe099151b69416e286ab0f25cf9580b5662e3c1d332c1d07c2eab28f7553f2c0
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import unittest import warnings import numpy as np from pymatgen.analysis.structure_matcher import StructureMatcher from pymatgen.core.composition import Composition from pymatgen.core.lattice import Lattice from pymatgen.c...
materialsproject/pymatgen
pymatgen/io/tests/test_cif.py
Python
mit
42,693
[ "ABINIT", "VASP", "pymatgen" ]
88e879e171a83a83775c2025a56733f31fd4042062ff31f08aacc86b447e53ba