def test_integer_casting_dimension(self):
setting.reset()
# noinspection PyTypeChecker
hypercubic_setting.HypercubicSetting(beta=1.0, dimension=2.8, system_length=1.0)
self.assertEqual(setting.dimension, 2)
self.assertEqual(hypercubic_setting.dimension, 2)
self.assertEqual(hypercuboid_setting.dimension, 2)
def test_reset(self):
setting.set_number_of_root_nodes(5)
setting.set_number_of_nodes_per_root_node(3)
setting.set_number_of_node_levels(2)
setting.reset()
self.assertIsNone(setting.beta)
self.assertIsNone(hypercubic_setting.beta)
self.assertIsNone(hypercuboid_setting.beta)
self.assertIsNone(setting.dimension)
self.assertIsNone(hypercubic_setting.dimension)
self.assertIsNone(hypercuboid_setting.dimension)
self.assertIsNone(setting.random_position)
self.assertIsNone(hypercubic_setting.random_position)
self.assertIsNone(hypercuboid_setting.random_position)
self.assertIsNone(setting.periodic_boundaries)
self.assertIsNone(hypercubic_setting.periodic_boundaries)
self.assertIsNone(hypercuboid_setting.periodic_boundaries)
self.assertIsNone(setting.number_of_root_nodes)
self.assertIsNone(hypercubic_setting.number_of_root_nodes)
self.assertIsNone(hypercuboid_setting.number_of_root_nodes)
self.assertIsNone(setting.number_of_nodes_per_root_node)
self.assertIsNone(hypercubic_setting.number_of_nodes_per_root_node)
self.assertIsNone(hypercuboid_setting.number_of_nodes_per_root_node)
self.assertIsNone(setting.number_of_node_levels)
self.assertIsNone(hypercubic_setting.number_of_node_levels)
self.assertIsNone(hypercuboid_setting.number_of_node_levels)
self.assertIsNone(hypercubic_setting.system_length)
self.assertIsNone(hypercuboid_setting.system_lengths)
self.assertIsNone(hypercubic_setting.system_length_over_two)
self.assertIsNone(hypercuboid_setting.system_lengths_over_two)
def tearDown(self) -> None:
if "Test_CoulombPowerBounded_LjCellBounded.dat" in os.listdir("."):
os.remove("Test_CoulombPowerBounded_LjCellBounded.dat")
if "Test_CoulombPowerBounded_LjCellBounded.dat.tmp" in os.listdir("."):
os.remove("Test_CoulombPowerBounded_LjCellBounded.dat.tmp")
# Reset setting
setting.reset()
# Reset factor type maps singleton
FactorTypeMaps._instance = None
def tearDown(self) -> None:
if "TestCellVeto.dat" in os.listdir("."):
os.remove("TestCellVeto.dat")
if "TestCellVeto.dat.tmp" in os.listdir("."):
os.remove("TestCellVeto.dat.tmp")
# Reset setting
setting.reset()
# Reset factor type maps singleton
FactorTypeMaps._instance = None
def test_number_of_node_levels_one_raises_error(self):
setting.reset()
hypercubic_setting.HypercubicSetting(beta=1.0,
dimension=3,
system_length=1.0)
setting.set_number_of_node_levels(1)
with self.assertRaises(ConfigurationError):
self._event_handler_to_root_unit_motion = RootLeafUnitActiveSwitcher(
chain_length=0.5, aim_mode="leaf_unit_active")
def test_dimension_unequal_three_raises_error(self):
setting.reset()
hypercubic_setting.HypercubicSetting(beta=1.0,
dimension=2,
system_length=1.0)
# Set these so the settings are initialized
setting.set_number_of_root_nodes(2)
setting.set_number_of_nodes_per_root_node(2)
setting.set_number_of_node_levels(1)
with self.assertRaises(ConfigurationError):
self._potential = InversePowerCoulombBoundingPotential(
prefactor=1.6)
def tearDown(self) -> None:
if "TestDipoleFactorsOutsideFirst_13.dat" in os.listdir("."):
os.remove("TestDipoleFactorsOutsideFirst_13.dat")
if "TestDipoleFactorsOutsideFirst_14.dat" in os.listdir("."):
os.remove("TestDipoleFactorsOutsideFirst_14.dat")
if "TestDipoleFactorsOutsideFirst_13.dat.tmp" in os.listdir("."):
os.remove("TestDipoleFactorsOutsideFirst_13.dat.tmp")
if "TestDipoleFactorsOutsideFirst_14.dat.tmp" in os.listdir("."):
os.remove("TestDipoleFactorsOutsideFirst_14.dat.tmp")
# Reset setting
setting.reset()
# Reset factor type maps singleton
FactorTypeMaps._instance = None
def tearDown(self) -> None:
if "TestSingleMolecule_Angle.dat" in os.listdir("."):
os.remove("TestSingleMolecule_Angle.dat")
if "TestSingleMolecule_Length.dat" in os.listdir("."):
os.remove("TestSingleMolecule_Length.dat")
if "TestSingleMolecule_Angle.dat.tmp" in os.listdir("."):
os.remove("Test_SingleMolecule_Angle.dat.tmp")
if "TestSingleMolecule_Length.dat.tmp" in os.listdir("."):
os.remove("Test_SingleMolecule_Length.dat.tmp")
# Reset setting
setting.reset()
# Reset factor type maps singleton
FactorTypeMaps._instance = None
def test_dimension_unequal_three_raises_error(self):
hypercubic_setting.HypercubicSetting(beta=1.0,
dimension=2,
system_length=1.0)
setting.set_number_of_root_nodes(2)
setting.set_number_of_nodes_per_root_node(2)
setting.set_number_of_node_levels(1)
with self.assertRaises(ConfigurationError):
MergedImageCoulombPotential(alpha=3.45,
fourier_cutoff=6,
position_cutoff=2,
prefactor=1.0)
setting.reset()
hypercubic_setting.HypercubicSetting(beta=1.0,
dimension=1,
system_length=1.0)
setting.set_number_of_root_nodes(2)
setting.set_number_of_nodes_per_root_node(2)
setting.set_number_of_node_levels(1)
with self.assertRaises(ConfigurationError):
MergedImageCoulombPotential(alpha=3.45,
fourier_cutoff=6,
position_cutoff=2,
prefactor=1.0)
def tearDown(self) -> None:
setting.reset()
def tearDown(self):
setting.reset()
def test_dimension_zero_raises_error(self):
setting.reset()
with self.assertRaises(AttributeError):
hypercuboid_setting.HypercuboidSetting(
beta=1, dimension=0, system_lengths=[1.0, 2.0, 3.0])
def test_negative_system_length_raises_error(self):
setting.reset()
with self.assertRaises(AttributeError):
hypercuboid_setting.HypercuboidSetting(
beta=1, dimension=3, system_lengths=[-1.0, 2.0, 3.0])
def test_negative_dimension_raises_error(self):
setting.reset()
with self.assertRaises(AttributeError):
hypercubic_setting.HypercubicSetting(beta=1, dimension=-1, system_length=1.0)
def test_system_length_zero_raises_error(self):
setting.reset()
with self.assertRaises(AttributeError):
hypercubic_setting.HypercubicSetting(beta=1, dimension=3, system_length=0)
def tearDown(self) -> None:
# Make sure that the setting module is reset even when a test fails
setting.reset()
