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Scientific Software
MDANSE
Commits
a2b9347e
Commit
a2b9347e
authored
Aug 07, 2018
by
eric pellegrini
Committed by
Remi Perenon
Aug 07, 2018
Browse files
Renamed MDANSE directory to Src
parent
17010329
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MDANSE/__init__.py~
deleted
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17010329
#MDANSE : Molecular Dynamics Analysis for Neutron Scattering Experiments
#------------------------------------------------------------------------------------------
#Copyright (C)
#2015- Eric C. Pellegrini Institut Laue-Langevin
#BP 156
#6, rue Jules Horowitz
#38042 Grenoble Cedex 9
#France
#pellegrini[at]ill.fr
#goret[at]ill.fr
#aoun[at]ill.fr
#
#This library is free software; you can redistribute it and/or
#modify it under the terms of the GNU Lesser General Public
#License as published by the Free Software Foundation; either
#version 2.1 of the License, or (at your option) any later version.
#
#This library is distributed in the hope that it will be useful,
#but WITHOUT ANY WARRANTY; without even the implied warranty of
#MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
#Lesser General Public License for more details.
#
#You should have received a copy of the GNU Lesser General Public
#License along with this library; if not, write to the Free Software
#Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
'''
Created on Mar 26, 2015
:author: Eric C. Pellegrini
'''
import sys
sys.setrecursionlimit(10000)
import os
import warnings
warnings.filterwarnings("ignore")
from __pkginfo__ import __version__, __author__, __date__
from MDANSE.Logging.Logger import LOGGER
from MDANSE.Core.Platform import PLATFORM
from MDANSE.Core.ClassRegistry import REGISTRY
from MDANSE.Data.ElementsDatabase import ELEMENTS
import MDANSE.Framework
PLATFORM.create_directory(PLATFORM.macros_directory())
# MMTK imports.
from MMTK import Database
# The default database is still the MMTK one
Database.path.append(os.path.join(PLATFORM.package_directory(), 'Data'))
Database.path.append(os.path.join(PLATFORM.application_directory(), 'mmtk_database'))
# Update the database with user defined atom entries
import glob
userDefinedAtoms = glob.glob(os.path.join(PLATFORM.application_directory(), 'mmtk_database','Atoms','*'))
for atomFile in userDefinedAtoms:
atomName = os.path.basename(atomFile)
if not ELEMENTS.has_element(atomName):
ELEMENTS.add_element(atomName)
MDANSE
/Core/ClassRegistry.py
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Src
/Core/ClassRegistry.py
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MDANSE
/Core/Error.py
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Src
/Core/Error.py
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MDANSE
/Core/Platform.py
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Src
/Core/Platform.py
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MDANSE
/Core/Singleton.py
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Src
/Core/Singleton.py
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MDANSE
/Core/__init__.py
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Src
/Core/__init__.py
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MDANSE
/Data/Atoms/ac
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/Data/Atoms/ag
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/Data/Atoms/ag107
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/Data/Atoms/ag109
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/Data/Atoms/al
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/Data/Atoms/alanine
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/Data/Atoms/am
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/Data/Atoms/am243
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/Data/Atoms/ar
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/Data/Atoms/arginine
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/Data/Atoms/arginine
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