Merge pull request #30932 from Kvieta1990/patch_for_hb2a

Patch for hb2a

Framework/PythonInterface/plugins/algorithms/HB2AReduce.py

@@ -9,7 +9,7 @@ from mantid.api import (PythonAlgorithm, AlgorithmFactory, PropertyMode, Workspa
 from mantid.kernel import (Direction, IntArrayProperty, FloatTimeSeriesProperty,
                            StringListValidator, FloatBoundedValidator, EnabledWhenProperty,
                            PropertyCriterion, Property)
-from mantid.simpleapi import (SaveGSS, SaveFocusedXYE)
+from mantid.simpleapi import (SaveGSSCW, SaveFocusedXYE)
 from mantid import logger
 import numpy as np
 import datetime
@@ -281,18 +281,24 @@ class HB2AReduce(PythonAlgorithm):
             outputdir = outputdir if outputdir != "" else f"/HFIR/HB2A/IPTS-{metadata['proposal']}/shared"
             _outputfunc = {
                 'XYE': SaveFocusedXYE,
-                'GSAS': SaveGSS
+                'GSAS': SaveGSSCW
             }[self.getProperty('OutputFormat').value]
             _outputext = {
                 "XYE": 'dat',
                 "GSAS": 'gss',
             }[self.getProperty('OutputFormat').value]
             outputbase = os.path.join(outputdir, outputfn)
-            _outputfunc(
-                InputWorkspace=outWS,
-                Filename=f"{outputbase}.{_outputext}",
-                SplitFiles=False,
-            )
+            if self.getProperty('OutputFormat').value == "GSAS":
+                _outputfunc(
+                    InputWorkspace=outWS,
+                    OutputFilename=f"{outputbase}.{_outputext}",
+                )
+            else:
+                _outputfunc(
+                    InputWorkspace=outWS,
+                    Filename=f"{outputbase}.{_outputext}",
+                    SplitFiles=False,
+                )
 
     def get_detector_mask(self, exp, indir):
         """Returns an anode mask"""

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

@@ -357,6 +357,7 @@ class SANSILLAutoProcess(DataProcessorAlgorithm):
         self.declareProperty('SensitivityWithOffsets', False,
                              'Whether the sensitivity data has been measured with different horizontal offsets.')
 
+    # flake8: noqa: C901
     def PyExec(self):
 
         self.setUp()

Framework/PythonInterface/test/python/plugins/algorithms/HB2AReduceTest.py

@@ -89,6 +89,7 @@ class HB2AReduceTest(unittest.TestCase):
         HB2AReduce_ws.delete()
 
     def test_saving_files(self):
+        # Test for saving XYE data file.
         HB2AReduce_ws = HB2AReduce(
             'HB2A_exp0660_scan0146.dat',
             Vanadium='HB2A_exp0644_scan0018.dat',
@@ -99,6 +100,17 @@ class HB2AReduceTest(unittest.TestCase):
         self.assertTrue(HB2AReduce_ws)
         self.assertTrue(
             os.path.exists(os.path.join(self._default_save_directory, f"{HB2AReduce_ws}.dat")))
+        # Test for saving GSAS data file.
+        HB2AReduce_ws = HB2AReduce(
+            'HB2A_exp0735_scan0016.dat',
+            Vanadium='HB2A_exp0644_scan0018.dat',
+            IndividualDetectors=True,
+            OutputFormat='GSAS',
+            OutputDirectory=self._default_save_directory,
+        )
+        self.assertTrue(HB2AReduce_ws)
+        self.assertTrue(
+            os.path.exists(os.path.join(self._default_save_directory, f"{HB2AReduce_ws}.gss")))
         HB2AReduce_ws.delete()
 
 

Testing/Data/UnitTest/HB2A_exp0735_scan0016.dat.md5

+67a975fe7271cfd2080df244552f1e31

docs/source/release/v6.1.0/diffraction.rst

@@ -28,6 +28,7 @@ Improvements
 Bugfixes
 ########
 
+- Fix the format inconsistency (with data saved from autoreduction workflow) issue for saving GSAS data using :ref:`HB2AReduce <algm-HB2AReduce>` - both are now using :ref:`SaveGSSCW <algm-SaveGSSCW>` for saving GSAS data.
 - Fix out-of-range bug in :ref:`FitPeaks <algm-FitPeaks>` for histogram data.
 - Fix bug in :ref:`FitPeaks <algm-FitPeaks>` not correctly checking right window for an individual peak
 - Fix bug to actually implement intended sequential fit of DIFC, DIFA, TZERO in :ref:`PDCalibration <algm-PDCalibration>`.