def testEmreAddElements(self):
# As above, but a larger/different PDB
try:
main(["-c", EMRE_ADD_ELEMENT_INI])
self.assertFalse(diff_lines(EMRE_ADD_ELEMENT_OUT, GOOD_EMRE_ADD_ELEMENT_OUT))
finally:
silent_remove(EMRE_ADD_ELEMENT_OUT)
def testHelp(self):
test_input = ['-h']
if logger.isEnabledFor(logging.DEBUG):
main(test_input)
with capture_stderr(main, test_input) as output:
self.assertFalse(output)
with capture_stdout(main, test_input) as output:
self.assertTrue("optional arguments" in output)
def testPrintQMMM(self):
try:
main(["-c", QMMM_OUT_INI])
self.assertFalse(diff_lines(QMMM_PDB_OUT, QMMM_PDB_IN))
self.assertFalse(diff_lines(QMMM_OUT, GOOD_QMMM_OUT))
self.assertFalse(diff_lines(VMD_ATOMS_OUT, GOOD_VMD_ATOMS_OUT))
finally:
silent_remove(QMMM_PDB_OUT)
silent_remove(QMMM_OUT)
silent_remove(VMD_ATOMS_OUT)
def testAddElements(self):
try:
main(["-c", ADD_ELEMENT_INI])
self.assertFalse(diff_lines(ADD_ELEMENT_OUT, GOOD_ADD_ELEMENT_OUT))
finally:
silent_remove(ADD_ELEMENT_OUT)
def testChangeRenumMol(self):
try:
main(["-c", MOL_CHANGE_RENUM_INI])
self.assertFalse(diff_lines(DEF_OUT, GOOD_MOL_CHANGE_RENUM_OUT))
finally:
silent_remove(DEF_OUT)
