__init__.py 2.08 KB
Newer Older
1 2 3 4 5 6 7 8 9 10
#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
eric pellegrini's avatar
eric pellegrini committed
11
#aoun[at]ill.fr
12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29
#
#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

30
:author: Eric C. Pellegrini
31 32
'''

33 34 35
import sys
sys.setrecursionlimit(10000)

eric pellegrini's avatar
eric pellegrini committed
36
import os
eric pellegrini's avatar
eric pellegrini committed
37 38 39
import warnings
warnings.filterwarnings("ignore")

40 41
from __pkginfo__ import __version__, __author__, __date__

eric pellegrini's avatar
eric pellegrini committed
42 43
from MDANSE.Logging.Logger import LOGGER

44
from MDANSE.Core.Platform import PLATFORM
45
from MDANSE.Core.ClassRegistry import REGISTRY
46

47
from MDANSE.Data.ElementsDatabase import ELEMENTS
48

49
import MDANSE.Framework
50

51 52
PLATFORM.create_directory(PLATFORM.macros_directory())

53 54 55 56
# MMTK imports.
from MMTK import Database

# The default database is still the MMTK one
57
Database.path.append(os.path.join(PLATFORM.package_directory(), 'Data'))
58 59 60 61 62 63 64 65
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):
66
        ELEMENTS.add_element(atomName)