def testNoHydData(self):
"""
Because the types do not match the data file, did not find the molecules desired.
"""
evbdump2data.main(["-c", GLU_BAD_ATOM_TYPE_INI])
with capture_stderr(evbdump2data.main, ["-c", GLU_BAD_ATOM_TYPE_INI]) as output:
self.assertTrue("Check the data file" in output)
silent_remove(REPROD_TPL)
def testNoHydData(self):
"""
Because the types do not match the data file, did not find the molecules desired.
"""
evbdump2data.main(["-c", GLU_BAD_ATOM_TYPE_INI])
with capture_stderr(evbdump2data.main,
["-c", GLU_BAD_ATOM_TYPE_INI]) as output:
self.assertTrue("Check the data file" in output)
silent_remove(REPROD_TPL)
def testReadOneFile(self):
main(["-c", GLU_ONE_FILE_INI])
def testTplAtomWrongOrder(self):
main(["-c", TPL_WRONG_ATOM_ORDER_INI])
with capture_stderr(main, ["-c", TPL_WRONG_ATOM_ORDER_INI]) as output:
self.assertTrue("which does not match" in output)
def testReadOneFile(self):
main(["-c", GLU_ONE_FILE_INI])
def testTplAtomWrongOrder(self):
main(["-c", TPL_WRONG_ATOM_ORDER_INI])
with capture_stderr(main, ["-c", TPL_WRONG_ATOM_ORDER_INI]) as output:
self.assertTrue("which does not match" in output)
