Add mantid.testing.assert_not_equal

Framework/PythonInterface/mantid/_testing/AssertWorkspaces.py

@@ -0,0 +1,161 @@
+# Mantid Repository : https://github.com/mantidproject/mantid
+#
+# Copyright © 2023 ISIS Rutherford Appleton Laboratory UKRI,
+#   NScD Oak Ridge National Laboratory, European Spallation Source,
+#   Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
+# SPDX - License - Identifier: GPL - 3.0 +
+from collections import namedtuple
+
+from mantid.simpleapi import CompareWorkspaces
+from mantid.kernel import Property
+
+# the absolute tolerance to be used if neither atol nor rtol specified
+DEFAULT_ABS_TOLERANCE = 1.0e-10
+
+CompareResult = namedtuple("CompareResult", ["rel_res", "rel_msg", "abs_res", "abs_msg"])
+
+
+def _compare_workspaces_result(Workspace1, Workspace2, rtol=Property.EMPTY_DBL, atol=Property.EMPTY_DBL, **kwargs):
+    """
+    Returns the result of CompareWorkspaces for the given rtol and/or atol
+
+    If neither rtol nor atol is specified, the comparison is done using the default absolute
+    tolerance
+
+    Parameters
+    ----------
+    Workspace1, Workspace2 : Workspace
+        Input workspaces to compare.
+    rtol : float
+        The relative tolerance parameter.
+    atol : float
+        The absolute tolerance parameter.
+    kwargs: dict
+        Other options available to CompareWorkspaces.
+
+    Returns
+    -------
+    A namedtuple `CompareResult` containing:
+     - `rel_res` - if relative tolerance is used, True or False, otherwise None
+     - `rel_msg` - if relative tolerance is used, message with mismatches, otherwise None
+     - `abs_res` - if absolute tolerance is used, True or False, otherwise None
+     - `abs_msg` - if absolute tolerance is used, message with mismatches, otherwise None
+
+    Raises
+    -------
+    ValueError
+        If atol or rtol are below zero
+    ValueError
+        If kwargs contains keys that should instead be set by atol or rtol
+
+    """
+    # check arguments
+    if len(set(kwargs.keys()).intersection({"Tolerance", "ToleranceRelErr"})):
+        raise ValueError("Tolerance, ToleranceRelErr cannot be passed as additional parameters: set atol or rtol instead")
+    if atol < 0.0:
+        raise ValueError("Absolute tolerance must be nonnegative")
+    if rtol < 0.0:
+        raise ValueError("Relative tolerance must be nonnegative")
+
+    use_relative = rtol != Property.EMPTY_DBL
+    use_absolute = atol != Property.EMPTY_DBL
+
+    # perform the required comparisons
+
+    # if neither set, do simple absolute comparison
+    if not use_absolute and not use_relative:
+        use_absolute = True
+        atol = DEFAULT_ABS_TOLERANCE
+
+    # if rtol set, perform relative comparison
+    rel_res, rel_msg = None, None
+    if use_relative:
+        rel_res, message = CompareWorkspaces(Workspace1, Workspace2, Tolerance=rtol, ToleranceRelErr=True, **kwargs)
+        rel_msg = message.toDict()
+
+    # if atol set, perform absolute comparison
+    abs_res, abs_msg = None, None
+    if use_absolute:
+        abs_res, message = CompareWorkspaces(Workspace1, Workspace2, Tolerance=atol, ToleranceRelErr=False, **kwargs)
+        abs_msg = message.toDict()
+
+    return CompareResult(rel_res=rel_res, rel_msg=rel_msg, abs_res=abs_res, abs_msg=abs_msg)
+
+
+def assert_almost_equal(Workspace1, Workspace2, rtol=Property.EMPTY_DBL, atol=Property.EMPTY_DBL, **kwargs):
+    """
+    Raises an assertion error if two workspaces are not within specified tolerance.
+
+    Parameters
+    ----------
+    Workspace1, Workspace2 : Workspace
+        Input workspaces to compare.
+    rtol : float
+        The relative tolerance parameter.
+    atol : float
+        The absolute tolerance parameter.
+    kwargs: dict
+        Other options available to CompareWorkspaces.
+
+    Raises
+    -------
+    AssertionError
+        If Workspace1 and Workspace2 are not equal up to specified precision
+    ValueError
+        If atol or rtol are below zero
+    ValueError
+        If kwargs contains keys that should instead be set by atol or rtol
+
+    """
+    res = _compare_workspaces_result(Workspace1, Workspace2, rtol, atol, **kwargs)
+
+    # validate the comparison results
+    msg = ""
+    if res.rel_res is False:
+        msg += ", ".join(res.rel_msg["Message"]) + f", Workspaces are not within relative tolerance ({rtol})"
+    if res.abs_res is False:
+        msg += ", ".join(res.abs_msg["Message"]) + f", Workspaces are not within absolute tolerance ({atol})"
+    if res.rel_res is False or res.abs_res is False:
+        raise AssertionError(msg)
+
+
+def assert_not_equal(Workspace1, Workspace2, rtol=Property.EMPTY_DBL, atol=Property.EMPTY_DBL, **kwargs):
+    """
+    Raises an assertion error if two workspaces are equal within specified tolerance.
+
+    Parameters
+    ----------
+    Workspace1, Workspace2 : Workspace
+        Input workspaces to compare.
+    rtol : float
+        The relative tolerance parameter.
+    atol : float
+        The absolute tolerance parameter.
+    kwargs: dict
+        Other options available to CompareWorkspaces.
+
+    Raises
+    -------
+    AssertionError
+        If Workspace1 and Workspace2 are equal up to specified precision
+    ValueError
+        If atol or rtol are below zero or both are specified.
+    ValueError
+        If kwargs contains keys that should instead be set by atol or rtol
+
+    """
+    use_relative = rtol != Property.EMPTY_DBL
+    use_absolute = atol != Property.EMPTY_DBL
+    if use_relative and use_absolute:
+        raise ValueError("Cannot specify both relative tolerance and absolute tolerance")
+
+    res = _compare_workspaces_result(Workspace1, Workspace2, rtol, atol, **kwargs)
+
+    # validate the comparison results
+    msg = ""
+    if res.rel_res:
+        msg += f"Workspaces are equal within relative tolerance ({rtol})"
+    if res.abs_res:
+        msg += f"Workspaces are equal within absolute tolerance ({atol})"
+    if res.rel_res or res.abs_res:
+        raise AssertionError(msg)

Framework/PythonInterface/mantid/testing.py

@@ -1,3 +1,4 @@
-from mantid._testing.AssertAlmostEqual import assert_almost_equal
+from mantid._testing.AssertWorkspaces import assert_almost_equal
+from mantid._testing.AssertWorkspaces import assert_not_equal
 
-__all__ = ["assert_almost_equal"]
+__all__ = ["assert_almost_equal", "assert_not_equal"]