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##
#
# File: ChemCompReaderTests.py
# Author: J. Westbrook
# Date: 13-Jan-2012
# Version: 0.001
##
"""
Test cases for reading and updating chemical component dictionary using Python CorePyWrap
wrapper module to C++ CifFile class library of file and dictionary tools.
"""
__docformat__ = "restructuredtext en"
__author__ = "John Westbrook"
__email__ = "jwest@rcsb.rutgers.edu"
__license__ = "Creative Commons Attribution 3.0 Unported"
__version__ = "V0.01"
import sys, unittest, traceback, filecmp
import sys, time, os, os.path, shutil
from CorePyWrap import ParseCif
class ChemCompReaderTests(unittest.TestCase):
def setUp(self):
self.__lfh=sys.stdout
self.__verbose=True
self.__pathPdbxDataFile = "../data/1kip.cif"
self.__pathBigPdbxDataFile = "../data/2j01.cif"
self.__pathChemCompDictFile = "/data/components/cc-dict/Components-all-v3.cif"
self.__pathPdbxDictFile = "../data/mmcif_pdbx_v40.dic"
self.__pathOutputPdbxFile = "myPdbxOutputFile.cif"
self.__pathBigOutputPdbxFile = "myBigPdbxOutputFile.cif"
def tearDown(self):
pass
def testChemCompIndexDictionary(self):
"""Test case - read chemical dictionary and create index
"""
self.__lfh.write("\nStarting %s %s\n" % (self.__class__.__name__,
sys._getframe().f_code.co_name))
try:
myReader=ParseCif(self.__pathChemCompDictFile)
#self.__lfh.write("Persistent index dictionary %r\n" % indexD.items())
except:
traceback.print_exc(file=self.__lfh)
self.fail()
def suite():
return unittest.makeSuite(ChemCompReaderTests,'test')
def suiteChemComp():
suiteSelect = unittest.TestSuite()
suiteSelect.addTest(ChemCompReaderTests("testChemCompIndexDictionary"))
return suiteSelect
if __name__ == '__main__':
# Run all tests --
# unittest.main()
#
mySuite=suiteChemComp()
unittest.TextTestRunner(verbosity=2).run(mySuite)
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