def test_run_power_bounded(self, set_up_logging_mock, read_config_mock): sys.argv[1:] = [self._ini_file] logger = logging.getLogger("") logger.setLevel(logging.ERROR) set_up_logging_mock.return_value = logger read_config_mock.return_value = self._config try: from jellyfysh.input_output_handler.input_handler.pdb_input_handler import PdbInputHandler except ImportError: print("\nSkip test if the .ini file {0} runs without an exception " "because MDAnalysis is not installed...".format( self._ini_file), end="") raise SkipTest( "Skip unittests for hard-disk dipoles with cells configuration file " "because MDAnalysis is not installed.") print( "\nTest if the .ini file {0} runs without an exception...".format( self._ini_file), end="") # Redirect stdout to the null device with open(os.devnull, 'w') as devnull: with contextlib.redirect_stdout(devnull): run.main() set_up_logging_mock.assert_called_once_with( Namespace(config_file=self._ini_file, logfile=None, verbose=None)) read_config_mock.assert_called_once_with(self._ini_file) self.assertIn("TestHardDiskDipolesCells.dat", os.listdir("."))
def test_run_coulomb_cell_veto_lj_inverted(self, read_config_mock): sys.argv[1:] = [self._ini_file] read_config_mock.return_value = self._config print("\nTest if the .ini file {0} runs without an exception...".format(self._ini_file), end="") # Redirect stdout to the null device with open(os.devnull, 'w') as devnull: with contextlib.redirect_stdout(devnull): run.main() read_config_mock.assert_called_once_with(self._ini_file) self.assertIn("Test_CoulombCellVeto_LjInverted.dat", os.listdir("."))
def test_run_dipole_factors_outside_first(self, read_config_mock): sys.argv[1:] = [self._ini_file] read_config_mock.return_value = self._config print("\nTest if the .ini file {0} runs without an exception...".format(self._ini_file), end="") # Redirect stdout to the null device with open(os.devnull, 'w') as devnull: with contextlib.redirect_stdout(devnull): run.main() read_config_mock.assert_called_once_with(self._ini_file) self.assertIn("TestDipoleFactorsOutsideFirst_13.dat", os.listdir(".")) self.assertIn("TestDipoleFactorsOutsideFirst_14.dat", os.listdir("."))
def test_run_single_molecule(self, read_config_mock): sys.argv[1:] = [self._ini_file] read_config_mock.return_value = self._config print( "\nTest if the .ini file {0} runs without an exception...".format( self._ini_file), end="") # Redirect stdout to the null device with open(os.devnull, 'w') as devnull: with contextlib.redirect_stdout(devnull): run.main() read_config_mock.assert_called_once_with(self._ini_file) self.assertIn("TestSingleMolecule_Angle.dat", os.listdir(".")) self.assertIn("TestSingleMolecule_Length.dat", os.listdir("."))
def test_run_power_bounded(self, set_up_logging_mock, read_config_mock): sys.argv[1:] = [self._ini_file] logger = logging.getLogger("") logger.setLevel(logging.ERROR) set_up_logging_mock.return_value = logger read_config_mock.return_value = self._config print( "\nTest if the .ini file {0} runs without an exception...".format( self._ini_file), end="") # Redirect stdout to the null device with open(os.devnull, 'w') as devnull: with contextlib.redirect_stdout(devnull): run.main() set_up_logging_mock.assert_called_once_with( Namespace(config_file=self._ini_file, logfile=None, verbose=None)) read_config_mock.assert_called_once_with(self._ini_file) self.assertIn("TestSingleHardDiskDipole.dat", os.listdir("."))