def test_set_number_of_atoms_with_specific_sites(self):
simulation = Simulation()
simulation.lattice = Mock(spec=Lattice)
mock_atoms = [Mock(spec=Atom), Mock(spec=Atom)]
simulation.lattice.populate_sites = Mock(return_value=mock_atoms)
with patch('lattice_mc.species.Species') as mock_Species:
mock_Species.return_value = 'some atoms'
simulation.set_number_of_atoms(3, selected_sites=['A'])
self.assertEqual(
simulation.lattice.populate_sites.call_args[1]
['selected_sites'], ['A'])
def test_set_number_of_atoms(self):
simulation = Simulation()
simulation.lattice = Mock(spec=Lattice)
mock_atoms = [Mock(spec=Atom), Mock(spec=Atom)]
simulation.lattice.populate_sites = Mock(return_value=mock_atoms)
with patch('lattice_mc.species.Species') as mock_Species:
mock_Species.return_value = 'some atoms'
simulation.set_number_of_atoms(3)
self.assertEqual(simulation.number_of_atoms, 3)
self.assertEqual(simulation.atoms, 'some atoms')
mock_Species.assert_called_with(mock_atoms)
