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("."))
