Merge pull request #19107 from mantidproject/AlignAndFocus_POLARIS

AlignAndFocus POLARIS

Framework/WorkflowAlgorithms/inc/MantidWorkflowAlgorithms/AlignAndFocusPowder.h

@@ -115,26 +115,26 @@ private:
   API::ITableWorkspace_sptr m_calibrationWS;
   DataObjects::MaskWorkspace_sptr m_maskWS;
   DataObjects::GroupingWorkspace_sptr m_groupWS;
-  double m_l1;
+  double m_l1{0.0};
   std::vector<int32_t> specids;
   std::vector<double> l2s;
   std::vector<double> tths;
   std::vector<double> phis;
   std::string m_instName;
   std::vector<double> m_params;
-  int m_resampleX;
+  int m_resampleX{0};
   std::vector<double> m_dmins;
   std::vector<double> m_dmaxs;
-  bool dspace;
-  double xmin;
-  double xmax;
-  double LRef;
-  double DIFCref;
-  double minwl;
-  double maxwl;
-  double tmin;
-  double tmax;
-  bool m_preserveEvents;
+  bool dspace{false};
+  double xmin{0.0};
+  double xmax{0.0};
+  double LRef{0.0};
+  double DIFCref{0.0};
+  double minwl{0.0};
+  double maxwl{0.0};
+  double tmin{0.0};
+  double tmax{0.0};
+  bool m_preserveEvents{false};
   void doSortEvents(Mantid::API::Workspace_sptr ws);
 
   /// Low resolution TOF matrix workspace
@@ -142,11 +142,11 @@ private:
   /// Low resolution TOF event workspace
   DataObjects::EventWorkspace_sptr m_lowResEW;
   /// Flag to process low resolution workspace
-  bool m_processLowResTOF;
+  bool m_processLowResTOF{false};
   /// Offset to low resolution TOF spectra
-  size_t m_lowResSpecOffset;
+  size_t m_lowResSpecOffset{0};
 
-  API::Progress *m_progress; ///< Progress reporting
+  API::Progress *m_progress{nullptr}; ///< Progress reporting
 };
 
 } // namespace WorkflowAlgorithm

Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp

@@ -34,11 +34,7 @@ using API::FileProperty;
 // Register the class into the algorithm factory
 DECLARE_ALGORITHM(AlignAndFocusPowder)
 
-AlignAndFocusPowder::AlignAndFocusPowder()
-    : API::DataProcessorAlgorithm(), m_l1(0.0), m_resampleX(0), dspace(false),
-      xmin(0.0), xmax(0.0), LRef(0.0), DIFCref(0.0), minwl(0.0), maxwl(0.),
-      tmin(0.0), tmax(0.0), m_preserveEvents(false), m_processLowResTOF(false),
-      m_lowResSpecOffset(0), m_progress(nullptr) {}
+AlignAndFocusPowder::AlignAndFocusPowder() : API::DataProcessorAlgorithm() {}
 
 AlignAndFocusPowder::~AlignAndFocusPowder() {
   if (m_progress)
@@ -77,7 +73,7 @@ void AlignAndFocusPowder::init() {
                   "grouping data");
   declareProperty(Kernel::make_unique<FileProperty>(
                       "GroupFilename", "", FileProperty::OptionalLoad,
-                      std::vector<std::string>{".xml"}),
+                      std::vector<std::string>{".xml", ".cal"}),
                   "Overrides grouping from CalFileName");
   declareProperty(
       make_unique<WorkspaceProperty<GroupingWorkspace>>(
@@ -933,12 +929,28 @@ void AlignAndFocusPowder::loadCalFile(const std::string &calFilename,
   if (loadMask && !groupFilename.empty()) {
     g_log.information() << "Loading Grouping file \"" << groupFilename
                         << "\"\n";
-    IAlgorithm_sptr alg = createChildAlgorithm("LoadDetectorsGroupingFile");
-    alg->setProperty("InputFile", groupFilename);
-    alg->executeAsChildAlg();
+    if (groupFilename.find(".cal") != std::string::npos) {
+      IAlgorithm_sptr alg = createChildAlgorithm("LoadDiffCal");
+      alg->setProperty("InputWorkspace", m_inputW);
+      alg->setPropertyValue("Filename", groupFilename);
+      alg->setProperty<bool>("MakeCalWorkspace", false);
+      alg->setProperty<bool>("MakeGroupingWorkspace", true);
+      alg->setProperty<bool>("MakeMaskWorkspace", false);
+      alg->setPropertyValue("WorkspaceName", m_instName);
+      alg->executeAsChildAlg();
+
+      // get the workspace
+      m_groupWS = alg->getProperty("OutputGroupingWorkspace");
+    } else {
+      IAlgorithm_sptr alg = createChildAlgorithm("LoadDetectorsGroupingFile");
+      alg->setProperty("InputFile", groupFilename);
+      alg->executeAsChildAlg();
+
+      // get the workspace
+      m_groupWS = alg->getProperty("OutputWorkspace");
+    }
 
-    // get and rename the workspace
-    m_groupWS = alg->getProperty("OutputWorkspace");
+    // register the workspace with the ADS
     const std::string name = m_instName + "_group";
     AnalysisDataService::Instance().addOrReplace(name, m_groupWS);
     this->setPropertyValue("GroupingWorkspace", name);

docs/source/release/v3.10.0/diffraction.rst

@@ -17,6 +17,7 @@ Engineering Diffraction
 Powder Diffraction
 ------------------
 
+- :ref:`AlignAndFocusPowder <algm-AlignAndFocusPowder>` Now supports supplying an a second ``.cal`` file for the ``GroupingFilename``.
 - Bugfix in :ref:`SNAPReduce <algm-SNAPReduce>` with loading previous normalizations
 
 Single Crystal Diffraction