def _create_random_dipole(self,
center: Sequence[float] = None
) -> List[Particle]:
"""Create the particles of a dipole molecule at the given center with random positions."""
if center is None:
center = setting.random_position()
random_direction = random_vector_on_unit_sphere(setting.dimension)
dipole_separation = random.uniform(
self._min_initial_dipole_separation / 2.0,
self._max_initial_dipole_separation / 2.0)
position_one = [
center[d] + random_direction[d] * dipole_separation
for d in range(setting.dimension)
]
position_two = [
center[d] - random_direction[d] * dipole_separation
for d in range(setting.dimension)
]
setting.periodic_boundaries.correct_position(position_one)
setting.periodic_boundaries.correct_position(position_two)
return [
Particle(
position_one, {
charge_value.charge_name: charge_value[0]
for charge_value in self._charge_values
}),
Particle(
position_two, {
charge_value.charge_name: charge_value[1]
for charge_value in self._charge_values
})
]
def test_setting_random_position(self, random_mock):
random_mock.side_effect = [0.1, 0.2, 0.3, 0.4, 0.5]
random_position = setting.random_position()
self.assertEqual(random_position, [0.1, 0.2, 0.3, 0.4, 0.5])
self.assertEqual(random_mock.call_args_list, [
mock.call(0.0, 1.0),
mock.call(0.0, 2.0),
mock.call(0.0, 3.0),
mock.call(0.0, 4.0),
mock.call(0.0, 5.0)
])
def fill_root_node(self, node: Node) -> None:
"""
Fill the root node with a random water composite object.
Parameters
----------
node : base.node.Node
The root node.
"""
molecule_center = setting.random_position()
particles = self._create_random_water_molecule(molecule_center)
for particle in particles:
node.add_child(Node(particle))
node.value = Particle(position=molecule_center)
def fill_root_node(self, node: Node) -> None:
"""
Fill the root node with a random point mass.
Parameters
----------
node : base.node.Node
The root node.
"""
node.value = Particle(
setting.random_position(), {
charge_value.charge_name: charge_value[0]
for charge_value in self._charge_values
})
def test_setting_random_position(self, random_mock):
random_mock.side_effect = [0.1, 0.2, 0.3, 0.4, 0.5]
random_position = setting.random_position()
self.assertEqual(random_position, [0.1, 0.2, 0.3, 0.4, 0.5])
self.assertEqual(random_mock.call_args_list, [mock.call(0.0, 1.5) for _ in range(5)])