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()