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)