def setUp(self) -> None: setting.HypercubicSetting(beta=1.0, dimension=2, system_length=1.0) setting.set_number_of_node_levels(1) self._estimator_without_charge_mock = mock.MagicMock( spec_set=Estimator) self._estimator_without_charge_mock.derivative_bound.side_effect = mock_derivative_bound self._estimator_with_charge_mock = mock.MagicMock(spec_set=Estimator) self._estimator_with_charge_mock.derivative_bound.side_effect = mock_derivative_bound # Mock a 4 * 4 cell system cells_mock = mock.MagicMock(spec_set=Cells) cells_mock.yield_cells.side_effect = [ iter([i for i in range(16)]) for _ in range(2) ] cells_mock.cell_min.side_effect = mock_cell_min cells_mock.cell_max.side_effect = mock_cell_max cells_mock.excluded_cells = mock_excluded_cells self._cell_bounding_potential_without_charge = CellBoundingPotential( estimator=self._estimator_without_charge_mock) self._cell_bounding_potential_with_charge = CellBoundingPotential( estimator=self._estimator_with_charge_mock) # Redirect stdout to the null device while initializing the estimator with open(os.devnull, 'w') as devnull: with contextlib.redirect_stdout(devnull): self._cell_bounding_potential_without_charge.initialize( cells_mock, 1.0, False) self._cell_bounding_potential_with_charge.initialize( cells_mock, 2.0, True)
def __init__(self, random_node_creator: RandomNodeCreator, number_of_root_nodes: int) -> None: """ The constructor of the RandomInputHandler class. The constructor sets the number of root nodes, the number of nodes per root node and the number of node levels in the setting package. Parameters ---------- random_node_creator : input_output_handler.input_handler.random_node_creator.RandomNodeCreator The random node creator which creates a single random root node. number_of_root_nodes : int The number of root nodes to create. """ log_init_arguments( logging.getLogger(__name__).debug, self.__class__.__name__, random_node_creator=random_node_creator.__class__.__name__, number_of_root_nodes=number_of_root_nodes) super().__init__() setting.set_number_of_root_nodes(number_of_root_nodes) setting.set_number_of_nodes_per_root_node( random_node_creator.number_of_nodes_per_root_node) setting.set_number_of_node_levels( random_node_creator.number_of_node_levels) self._random_node_creator = random_node_creator
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 test_number_of_node_levels_one_raises_error(self): setting.reset() 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 setUp(self) -> None: setting.HypercubicSetting(beta=1.0, dimension=3, system_length=1.0) setting.set_number_of_node_levels(2) self._event_handler_to_root_unit_motion = RootLeafUnitActiveSwitcher( chain_length=0.5, aim_mode="root_unit_active") self._event_handler_to_leaf_unit_motion = RootLeafUnitActiveSwitcher( chain_length=0.7, aim_mode="leaf_unit_active")
def setUp(self) -> None: setting.HypercubicSetting(beta=1.0, dimension=3, 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) # noinspection PyArgumentEqualDefault self._potential = InversePowerCoulombBoundingPotential(prefactor=1.6)
def test_initialized(self): self.assertFalse(hypercubic_setting.initialized()) self.assertFalse(hypercuboid_setting.initialized()) setting.set_number_of_root_nodes(3) self.assertFalse(hypercubic_setting.initialized()) self.assertFalse(hypercuboid_setting.initialized()) setting.set_number_of_nodes_per_root_node(1) self.assertFalse(hypercubic_setting.initialized()) self.assertFalse(hypercuboid_setting.initialized()) setting.set_number_of_node_levels(1) self.assertFalse(hypercubic_setting.initialized()) self.assertTrue(hypercuboid_setting.initialized())
def setUp(self) -> None: setting.HypercubicSetting(beta=1.0, dimension=3, 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) self._potential = MergedImageCoulombPotential(alpha=3.45, fourier_cutoff=6, position_cutoff=2, prefactor=1.0) self._variant_potential = MergedImageCoulombPotential( alpha=5.0, fourier_cutoff=9, position_cutoff=2)
def setUp(self) -> None: setting.HypercubicSetting(beta=1.0, dimension=2, system_length=1.0) # Set this for the initial extraction of charge setting.set_number_of_node_levels(1) self._estimator_without_charge_mock = mock.MagicMock( spec_set=Estimator) self._estimator_without_charge_mock.derivative_bound.side_effect = mock_derivative_bound self._estimator_with_charge_mock = mock.MagicMock(spec_set=Estimator) self._estimator_with_charge_mock.derivative_bound.side_effect = mock_derivative_bound # Mock a 4 * 4 cell system cells_mock = mock.MagicMock(spec_set=PeriodicCells) cells_mock.yield_cells.side_effect = [ iter([i for i in range(16)]) for _ in range(4) ] cells_mock.cell_min.side_effect = mock_cell_min cells_mock.cell_max.side_effect = mock_cell_max cells_mock.excluded_cells = mock_excluded_cells self._estimator_without_charge_mock.potential.number_separation_arguments = 1 self._estimator_without_charge_mock.potential.number_charge_arguments = 0 self._estimator_with_charge_mock.potential.number_separation_arguments = 1 self._estimator_with_charge_mock.potential.number_charge_arguments = 2 self._event_handler_without_charge = LeafUnitCellVetoEventHandler( estimator=self._estimator_without_charge_mock) self._event_handler_with_charge = LeafUnitCellVetoEventHandler( estimator=self._estimator_with_charge_mock, charge="charge") # relevant id length will be set later in each test root_cnodes = [ Node( Unit(identifier=(0, ), position=[0.1, 0.2, 0.3], charge={"charge": 2.0})) ] # Redirect stdout to the null device while initializing the estimator with open(os.devnull, 'w') as devnull: with contextlib.redirect_stdout(devnull): self._event_handler_without_charge.initialize( cells_mock, None, root_cnodes) self._event_handler_with_charge.initialize( cells_mock, None, root_cnodes)
def test_integer_casting_number_of_node_levels(self): setting.set_number_of_node_levels(1.3) self.assertEqual(setting.number_of_node_levels, 1) self.assertIsNone(hypercubic_setting.number_of_node_levels) self.assertEqual(hypercuboid_setting.number_of_node_levels, 1)
def test_negative_number_of_node_levels_larger_than_two_raises_error(self): with self.assertRaises(AttributeError): setting.set_number_of_node_levels(3)
def test_number_of_node_levels_zero_raises_error(self): with self.assertRaises(AttributeError): setting.set_number_of_node_levels(0)
def test_set_number_of_node_levels(self): setting.set_number_of_node_levels(2) self.assertEqual(setting.number_of_node_levels, 2) self.assertIsNone(hypercubic_setting.number_of_node_levels) self.assertEqual(hypercuboid_setting.number_of_node_levels, 2)