def test_is_initialised_fails_with_no_lattice(self):
simulation = Simulation()
simulation.atoms = 'foo'
simulation.number_of_jumps = 'bar'
simulation.lattice = None
with self.assertRaises(AttributeError):
simulation.is_initialised()
def test_run_without_equilibration_steps(self):
simulation = Simulation()
simulation.is_initialised = Mock(return_value=(True, None))
simulation.atoms = 'a'
simulation.lattice = Mock(spec=Lattice)
simulation.lattice.jump = Mock()
simulation.number_of_jumps = 10
simulation.run()
self.assertEqual(simulation.lattice.jump.call_count, 10)
def test_run_for_time(self):
simulation = Simulation()
simulation.is_initialised = Mock(return_value=(True, None))
simulation.atoms = 'a'
simulation.lattice = Mock(spec=Lattice)
simulation.lattice.time = 0.0
def fake_jump_method():
simulation.lattice.time += 1.0
simulation.lattice.jump = fake_jump_method
simulation.run(for_time=10.0)
self.assertEqual(simulation.lattice.time, 10.0)
self.assertEqual(simulation.number_of_jumps, 10)
def test_run_raises_error_if_not_initialised(self):
simulation = Simulation()
simulation.is_initialised = Mock(side_effect=AttributeError('test'))
with self.assertRaises(AttributeError) as context:
simulation.run()
