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)