def test_next_image(self):
setting.HypercuboidSetting(beta=1.0,
dimension=3,
system_lengths=[1.0, 2.0, 3.0])
self.assertEqual(setting.periodic_boundaries.next_image(0.4, 0), 1.4)
self.assertEqual(setting.periodic_boundaries.next_image(0.6, 1), 2.6)
self.assertEqual(setting.periodic_boundaries.next_image(2.0, 2), 5.0)
def test_integer_casting_dimension(self):
setting.reset()
# noinspection PyTypeChecker
setting.HypercuboidSetting(beta=1.0,
dimension=2.8,
system_lengths=[1.0, 2.0])
self.assertEqual(setting.dimension, 2)
self.assertIsNone(hypercubic_setting.dimension)
self.assertEqual(hypercuboid_setting.dimension, 2)
def test_separation_vector(self):
setting.HypercuboidSetting(beta=1.0,
dimension=3,
system_lengths=[1.0, 2.0, 3.0])
position_one = [0.5, 1.6, 2.3]
position_two = [0.2, 0.1, 0.9]
self.assertAlmostEqualList(
setting.periodic_boundaries.separation_vector(
position_one, position_two), [-0.3, 0.5, -1.4],
places=13)
def test_correct_periodic_boundary_separation_entry(self):
setting.HypercuboidSetting(beta=1.0,
dimension=4,
system_lengths=[1.0, 2.0, 3.0, 4.0])
separation = [-0.5, -1.3, 2.4, 1.5]
separation[3] = setting.periodic_boundaries.correct_separation_entry(
separation[3], 3)
self.assertAlmostEqualList(separation, [-0.5, -1.3, 2.4, 1.5],
places=13)
separation = [-0.6, 1.3, 2.4, 6.9]
separation[0] = setting.periodic_boundaries.correct_separation_entry(
separation[0], 0)
self.assertAlmostEqualList(separation, [0.4, 1.3, 2.4, 6.9], places=13)
def test_correct_periodic_boundary_separation(self):
setting.HypercuboidSetting(beta=1.0,
dimension=4,
system_lengths=[1.0, 2.0, 3.0, 4.0])
separation = [-0.5, -0.8, 1.4, 2.0]
setting.periodic_boundaries.correct_separation(separation)
self.assertAlmostEqualList(separation, [-0.5, -0.8, 1.4, -2.0],
places=13)
separation = [-0.6, 1.3, 0.4, 1.9]
setting.periodic_boundaries.correct_separation(separation)
self.assertAlmostEqualList(separation, [0.4, -0.7, 0.4, 1.9],
places=13)
setting.system_length = None
setting.system_length_over_two = None
setting.dimension = None
def test_correct_periodic_boundary_position(self):
setting.HypercuboidSetting(beta=1.0,
dimension=3,
system_lengths=[1.0, 2.0, 3.0])
position = [0.1, 1.4, 2.9]
setting.periodic_boundaries.correct_position(position)
self.assertEqual(position, [0.1, 1.4, 2.9])
position = [0.0, 2.0, 1.0]
setting.periodic_boundaries.correct_position(position)
self.assertAlmostEqualList(position, [0.0, 0.0, 1.0], places=13)
position = [-0.3, 1.4, 3.9]
setting.periodic_boundaries.correct_position(position)
self.assertAlmostEqualList(position, [0.7, 1.4, 0.9], places=13)
position = [-10.0, 102.231, 2.999999]
setting.periodic_boundaries.correct_position(position)
self.assertAlmostEqualList(position, [0.0, 0.231, 2.999999], places=13)
def test_new_initialize_hypercuboid_setting_raises_error(self):
with self.assertRaises(AttributeError):
setting.HypercuboidSetting(beta=1.0,
dimension=3,
system_lengths=[1.0, 2.0, 3.0])
def setUp(self) -> None:
setting.HypercuboidSetting(beta=2,
dimension=5,
system_lengths=[1.0, 2.0, 3.0, 4.0, 5.0])
def test_dimension_zero_raises_error(self):
setting.reset()
with self.assertRaises(AttributeError):
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):
setting.HypercuboidSetting(beta=1,
dimension=3,
system_lengths=[-1.0, 2.0, 3.0])