diff --git a/news/no-news.rst b/news/no-news.rst new file mode 100644 index 00000000..31779a23 --- /dev/null +++ b/news/no-news.rst @@ -0,0 +1,23 @@ +**Added:** + +* No news added: just making sure the previous add, mul, div, and sub tests are working as expected. + +**Changed:** + +* + +**Deprecated:** + +* + +**Removed:** + +* + +**Fixed:** + +* + +**Security:** + +* diff --git a/src/diffpy/utils/diffraction_objects.py b/src/diffpy/utils/diffraction_objects.py index 9e56e0d3..5c5cd7e2 100644 --- a/src/diffpy/utils/diffraction_objects.py +++ b/src/diffpy/utils/diffraction_objects.py @@ -14,9 +14,10 @@ XQUANTITIES = ANGLEQUANTITIES + DQUANTITIES + QQUANTITIES XUNITS = ["degrees", "radians", "rad", "deg", "inv_angs", "inv_nm", "nm-1", "A-1"] -y_grid_length_mismatch_emsg = ( - "The two objects have different y-array lengths. " - "Please ensure the length of the y-value during initialization is identical." +x_values_not_equal_emsg = ( + "The two objects have different values in x arrays (my_do.all_arrays[:, [1, 2, 3]]). " + "Please ensure the x values of the two objects are identical by re-instantiating " + "the DiffractionObject with the correct x value inputs." ) invalid_add_type_emsg = ( @@ -255,7 +256,9 @@ def _check_operation_compatibility(self, other): raise TypeError(invalid_add_type_emsg) if isinstance(other, DiffractionObject): if self.all_arrays.shape != other.all_arrays.shape: - raise ValueError(y_grid_length_mismatch_emsg) + raise ValueError(x_values_not_equal_emsg) + if not np.allclose(self.all_arrays[:, [1, 2, 3]], other.all_arrays[:, [1, 2, 3]]): + raise ValueError(x_values_not_equal_emsg) @property def all_arrays(self): diff --git a/tests/conftest.py b/tests/conftest.py index 9e5f1e60..296ae14f 100644 --- a/tests/conftest.py +++ b/tests/conftest.py @@ -81,8 +81,9 @@ def invalid_add_type_error_msg(): @pytest.fixture -def y_grid_size_mismatch_error_msg(): +def x_values_not_equal_error_msg(): return ( - "The two objects have different y-array lengths. " - "Please ensure the length of the y-value during initialization is identical." + "The two objects have different values in x arrays (my_do.all_arrays[:, [1, 2, 3]]). " + "Please ensure the x values of the two objects are identical by re-instantiating " + "the DiffractionObject with the correct x value inputs." ) diff --git a/tests/test_diffraction_objects.py b/tests/test_diffraction_objects.py index ff81ff28..13b3719b 100644 --- a/tests/test_diffraction_objects.py +++ b/tests/test_diffraction_objects.py @@ -780,28 +780,28 @@ def test_scalar_operations(operation, starting_yarray, scalar_value, expected_ya @pytest.mark.parametrize( - "operation, " "expected_do_1_all_arrays_with_y_modified, " "expected_do_2_all_arrays_with_y_modified", + "operation, expected_do_1_all_arrays_with_y_modified, expected_do_2_all_arrays_with_y_modified", [ # Test addition, subtraction, multiplication, and division of two DO objects ( # Test addition of two DO objects, expect combined yarray values "add", np.array([[2.0, 0.51763809, 30.0, 12.13818192], [4.0, 1.0, 60.0, 6.28318531]]), - np.array([[2.0, 6.28318531, 100.70777771, 1], [4.0, 3.14159265, 45.28748053, 2.0]]), + np.array([[2.0, 0.51763809, 30.0, 12.13818192], [4.0, 1.0, 60.0, 6.28318531]]), ), ( # Test subtraction of two DO objects, expect differences in yarray values "sub", np.array([[0.0, 0.51763809, 30.0, 12.13818192], [0.0, 1.0, 60.0, 6.28318531]]), - np.array([[0.0, 6.28318531, 100.70777771, 1], [0.0, 3.14159265, 45.28748053, 2.0]]), + np.array([[0.0, 0.51763809, 30.0, 12.13818192], [0.0, 1.0, 60.0, 6.28318531]]), ), ( # Test multiplication of two DO objects, expect multiplication in yarray values "mul", np.array([[1.0, 0.51763809, 30.0, 12.13818192], [4.0, 1.0, 60.0, 6.28318531]]), - np.array([[1.0, 6.28318531, 100.70777771, 1], [4.0, 3.14159265, 45.28748053, 2.0]]), + np.array([[1.0, 0.51763809, 30.0, 12.13818192], [4.0, 1.0, 60.0, 6.28318531]]), ), ( # Test division of two DO objects, expect division in yarray values "div", np.array([[1.0, 0.51763809, 30.0, 12.13818192], [1.0, 1.0, 60.0, 6.28318531]]), - np.array([[1.0, 6.28318531, 100.70777771, 1], [1.0, 3.14159265, 45.28748053, 2.0]]), + np.array([[1.0, 0.51763809, 30.0, 12.13818192], [1.0, 1.0, 60.0, 6.28318531]]), ), ], ) @@ -810,15 +810,14 @@ def test_binary_operator_on_do( expected_do_1_all_arrays_with_y_modified, expected_do_2_all_arrays_with_y_modified, do_minimal_tth, - do_minimal_d, ): do_1 = do_minimal_tth - do_2 = do_minimal_d + do_2 = do_minimal_tth assert np.allclose( do_1.all_arrays, np.array([[1.0, 0.51763809, 30.0, 12.13818192], [2.0, 1.0, 60.0, 6.28318531]]) ) assert np.allclose( - do_2.all_arrays, np.array([[1.0, 6.28318531, 100.70777771, 1], [2.0, 3.14159265, 45.28748053, 2.0]]) + do_2.all_arrays, np.array([[1.0, 0.51763809, 30.0, 12.13818192], [2.0, 1.0, 60.0, 6.28318531]]) ) if operation == "add": @@ -856,13 +855,31 @@ def test_operator_invalid_type(do_minimal_tth, invalid_add_type_error_msg): @pytest.mark.parametrize("operation", ["add", "sub", "mul", "div"]) -def test_operator_invalid_yarray_length(operation, do_minimal, do_minimal_tth, y_grid_size_mismatch_error_msg): - # Add two DO objects with different yarray lengths, expect ValueError +def test_operator_invalid_xarray_values_not_equal( + operation, do_minimal_tth, do_minimal_d, x_values_not_equal_error_msg +): + # Add two DO objects with different xarray values but equal in shape, expect ValueError + do_1 = do_minimal_tth + do_2 = do_minimal_d + with pytest.raises(ValueError, match=re.escape(x_values_not_equal_error_msg)): + if operation == "add": + do_1 + do_2 + elif operation == "sub": + do_1 - do_2 + elif operation == "mul": + do_1 * do_2 + elif operation == "div": + do_1 / do_2 + + +@pytest.mark.parametrize("operation", ["add", "sub", "mul", "div"]) +def test_operator_invalid_xarray_shape_not_equal( + operation, do_minimal, do_minimal_tth, x_values_not_equal_error_msg +): + # Add two DO objects with different xarrays shape, expect ValueError do_1 = do_minimal do_2 = do_minimal_tth - assert len(do_1.all_arrays[:, 0]) == 0 - assert len(do_2.all_arrays[:, 0]) == 2 - with pytest.raises(ValueError, match=re.escape(y_grid_size_mismatch_error_msg)): + with pytest.raises(ValueError, match=re.escape(x_values_not_equal_error_msg)): if operation == "add": do_1 + do_2 elif operation == "sub":