def test_reset(self):
simulation = Simulation()
simulation.lattice = Mock(spec=Lattice)
simulation.atoms = Mock(spec=Species)
simulation.atoms.atoms = [Mock(spec=Atom), Mock(spec=Atom)]
simulation.reset()
self.assertEqual(simulation.lattice.reset.call_count, 1)
self.assertEqual(simulation.atoms.atoms[0].reset.call_count, 1)
self.assertEqual(simulation.atoms.atoms[1].reset.call_count, 1)
def test_run_with_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.reset = Mock()
simulation.number_of_equilibration_jumps = 20
simulation.number_of_jumps = 30
simulation.run()
self.assertEqual(simulation.lattice.jump.call_count, 20 + 30)
self.assertEqual(simulation.reset.call_count, 1)