def test_can_get_string_from_xyz(self, mock_string, mock_dict):
xyz = Xyz()
xyz_dict = Mock()
mock_string.return_value = "filecontents"
mock_dict.return_value = xyz_dict
s = xyz.to_file_string()
mock_dict.assert_called_with(xyz)
mock_string.assert_called_with(xyz_dict)
self.assertEqual(s, "filecontents")
def test_can_create_xyz(self):
xyz = Xyz()
self.assertEqual(xyz._model, None)
self.assertEqual(xyz._title, "")
def test_can_save_xyz_to_file(self, mock_string, mock_save):
xyz = Xyz()
mock_string.return_value = "filestring"
xyz.save("test.xyz")
mock_save.assert_called_with("filestring", "test.xyz")
def test_xyz_title_must_be_str(self):
xyz = Xyz("Glucose molecule")
with self.assertRaises(TypeError):
xyz.title = 100
def test_model_property(self):
xyz = Xyz("Glucose molecule")
xyz._model = "totally a model"
self.assertIs(xyz._model, xyz.model)
def test_can_change_title(self):
xyz = Xyz("Glucose molecule")
xyz.title = "Fructose molecule"
self.assertEqual(xyz._title, "Fructose molecule")
def test_title_property(self):
xyz = Xyz("Glucose molecule")
self.assertIs(xyz._title, xyz.title)
def test_xyz_repr(self):
xyz = Xyz("Glucose molecule")
self.assertEqual(str(xyz), "<Xyz (Glucose molecule)>")
def test_xyz_title_must_be_str(self):
with self.assertRaises(TypeError):
Xyz(100)
def test_can_create_xyz_with_title(self):
xyz = Xyz("Glucose molecule")
self.assertEqual(xyz._model, None)
self.assertEqual(xyz._title, "Glucose molecule")