Merge pull request #38040 from robertapplin/0-fix-incorrect-quasi-calculation

Fix incorrect BayesQuasi calculation

Author: SilkeSchomann

Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/BayesQuasi.py

@@ -667,11 +667,11 @@ def C2Fw(self, sname):
 
             # interlace amplitudes and widths of the peaks
             y.extend(height_data)
-            y.extend(np.hstack((amplitude_data, width_data, eisf_data)).flatten("F"))
+            y.extend(np.hstack((amplitude_data, width_data, eisf_data)).flatten())
 
             # interlace amplitude and width errors of the peaks
             e.extend(height_error)
-            e.extend(np.hstack((amplitude_error, width_error, eisf_error)).flatten("F"))
+            e.extend(np.hstack((amplitude_error, width_error, eisf_error)).flatten())
 
             # create x data and axis names for each function
             axis_names.append("f" + str(nl) + ".f0." + "Height")

Testing/SystemTests/tests/framework/BayesQuasiTest.py

@@ -0,0 +1,39 @@
+# Mantid Repository : https://github.com/mantidproject/mantid
+#
+# Copyright © 2024 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 +
+# pylint: disable=no-init,attribute-defined-outside-init
+from systemtesting import MantidSystemTest
+from mantid.simpleapi import BayesQuasi, Load
+
+
+class BayesQuasiTest(MantidSystemTest):
+    _sample_name = "irs26176_graphite002_red"
+    _resolution_name = "irs26173_graphite002_res"
+
+    def runTest(self):
+        Load(Filename=f"{self._sample_name}.nxs", OutputWorkspace=self._sample_name, LoadHistory=False)
+        Load(Filename=f"{self._resolution_name}.nxs", OutputWorkspace=self._resolution_name, LoadHistory=False)
+        BayesQuasi(
+            SampleWorkspace=self._sample_name,
+            ResolutionWorkspace=self._resolution_name,
+            MinRange=-0.54760699999999995,
+            MaxRange=0.54411200000000004,
+            Elastic=False,
+            Background="Sloping",
+            FixedWidth=False,
+            OutputWorkspaceFit=f"{self._sample_name}_QLr_quasielasticbayes_Fit",
+            OutputWorkspaceResult=f"{self._sample_name}_QLr_Result",
+            OutputWorkspaceProb=f"{self._sample_name}_QLr_Prob",
+        )
+
+    def validate(self):
+        self.tolerance = 1e-10
+        return (
+            "irs26176_graphite002_QLr_Result",
+            "irs26176_graphite002_QLr_Result.nxs",
+            "irs26176_graphite002_QLr_Prob",
+            "irs26176_graphite002_QLr_Prob.nxs",
+        )

Testing/SystemTests/tests/framework/reference/irs26176_graphite002_QLr_Prob.nxs.md5

@@ -0,0 +1 @@
+5b81d321d79a2535e32f64a92199fd2d

Testing/SystemTests/tests/framework/reference/irs26176_graphite002_QLr_Result.nxs.md5

@@ -0,0 +1 @@
+cf9e11fd64133a894848d2301c76466b