Merge pull request #38869 from peterfpeterson/38504_save_groups_in_nxcansas_ornlnext

SaveNXcansSAS changes into `ornl-next`

Author: peterfpeterson

Framework/DataHandling/CMakeLists.txt

@@ -141,6 +141,7 @@ set(SRC_FILES
     src/ModifyDetectorDotDatFile.cpp
     src/MoveInstrumentComponent.cpp
     src/MultiPeriodLoadMuonStrategy.cpp
+    src/NXcanSASHelper.cpp
     src/NexusTester.cpp
     src/ORNLDataArchive.cpp
     src/PDLoadCharacterizations.cpp
@@ -182,6 +183,7 @@ set(SRC_FILES
     src/SaveNXSPE.cpp
     src/SaveNXTomo.cpp
     src/SaveNXcanSAS.cpp
+    src/SaveNXcanSASBase.cpp
     src/SaveNexus.cpp
     src/SaveNexusESS.cpp
     src/SaveNexusGeometry.cpp
@@ -356,6 +358,7 @@ set(INC_FILES
     inc/MantidDataHandling/MoveInstrumentComponent.h
     inc/MantidDataHandling/MultiPeriodLoadMuonStrategy.h
     inc/MantidDataHandling/NXcanSASDefinitions.h
+    inc/MantidDataHandling/NXcanSASHelper.h
     inc/MantidDataHandling/NexusTester.h
     inc/MantidDataHandling/ORNLDataArchive.h
     inc/MantidDataHandling/PDLoadCharacterizations.h
@@ -397,6 +400,7 @@ set(INC_FILES
     inc/MantidDataHandling/SaveNXSPE.h
     inc/MantidDataHandling/SaveNXTomo.h
     inc/MantidDataHandling/SaveNXcanSAS.h
+    inc/MantidDataHandling/SaveNXcanSASBase.h
     inc/MantidDataHandling/SaveNexus.h
     inc/MantidDataHandling/SaveNexusESS.h
     inc/MantidDataHandling/SaveNexusGeometry.h

Framework/DataHandling/inc/MantidDataHandling/NXcanSASHelper.h

@@ -0,0 +1,48 @@
+// Mantid Repository : https://github.com/mantidproject/mantid
+//
+// Copyright © 2025 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 +
+#pragma once
+
+#include "MantidAPI/Algorithm.h"
+#include "MantidAPI/MatrixWorkspace_fwd.h"
+#include "MantidDataHandling/DllConfig.h"
+#include <H5Cpp.h>
+#include <filesystem>
+
+namespace Mantid {
+namespace DataHandling {
+namespace NXcanSAS {
+// Helper functions for algorithms saving in NXcanSAS format.
+enum class WorkspaceDimensionality;
+
+std::string MANTID_DATAHANDLING_DLL makeCanSASRelaxedName(const std::string &input);
+std::filesystem::path MANTID_DATAHANDLING_DLL prepareFilename(const std::string &baseFilename, int index,
+                                                              bool isGroup = false);
+void MANTID_DATAHANDLING_DLL addDetectors(H5::Group &group, const Mantid::API::MatrixWorkspace_sptr &workspace,
+                                          const std::vector<std::string> &detectorNames);
+void MANTID_DATAHANDLING_DLL addInstrument(H5::Group &group, const Mantid::API::MatrixWorkspace_sptr &workspace,
+                                           const std::string &radiationSource, const std::string &geometry,
+                                           double beamHeight, double beamWidth,
+                                           const std::vector<std::string> &detectorNames);
+void MANTID_DATAHANDLING_DLL addSample(H5::Group &group, const double &sampleThickness);
+void MANTID_DATAHANDLING_DLL addProcess(H5::Group &group, const Mantid::API::MatrixWorkspace_sptr &workspace);
+void MANTID_DATAHANDLING_DLL addProcess(H5::Group &group, const Mantid::API::MatrixWorkspace_sptr &workspace,
+                                        const Mantid::API::MatrixWorkspace_sptr &canWorkspace);
+void MANTID_DATAHANDLING_DLL addProcessEntry(H5::Group &group, const std::string &entryName,
+                                             const std::string &entryValue);
+void MANTID_DATAHANDLING_DLL addTransmission(H5::Group &group, const Mantid::API::MatrixWorkspace_const_sptr &workspace,
+                                             const std::string &transmissionName);
+
+void MANTID_DATAHANDLING_DLL addData1D(H5::Group &data, const Mantid::API::MatrixWorkspace_sptr &workspace);
+void MANTID_DATAHANDLING_DLL addData2D(H5::Group &data, const Mantid::API::MatrixWorkspace_sptr &workspace);
+
+WorkspaceDimensionality MANTID_DATAHANDLING_DLL
+getWorkspaceDimensionality(const Mantid::API::MatrixWorkspace_sptr &workspace);
+std::vector<std::string> MANTID_DATAHANDLING_DLL splitDetectorNames(std::string detectorNames);
+
+} // namespace NXcanSAS
+} // namespace DataHandling
+} // namespace Mantid

Framework/DataHandling/inc/MantidDataHandling/SaveNXcanSAS.h

@@ -6,16 +6,16 @@
 // SPDX - License - Identifier: GPL - 3.0 +
 #pragma once
 
-#include "MantidAPI/Algorithm.h"
 #include "MantidDataHandling/DllConfig.h"
+#include "MantidDataHandling/SaveNXcanSASBase.h"
 
 namespace Mantid {
 namespace DataHandling {
 
 /** SaveNXcanSAS : Saves a reduced workspace in the NXcanSAS format. Currently
  * only MatrixWorkspaces resulting from 1D and 2D reductions are supported.
  */
-class MANTID_DATAHANDLING_DLL SaveNXcanSAS final : public API::Algorithm {
+class MANTID_DATAHANDLING_DLL SaveNXcanSAS final : public SaveNXcanSASBase {
 public:
   /// Constructor
   SaveNXcanSAS();
@@ -26,6 +26,8 @@ class MANTID_DATAHANDLING_DLL SaveNXcanSAS final : public API::Algorithm {
   const std::string summary() const override {
     return "Save a MatrixWorkspace to a file in the NXcanSAS format (for both 1D and 2D data).";
   }
+  /// Override processGroups
+  bool processGroups() override;
 
   /// Algorithm's version
   int version() const override { return (1); }
@@ -40,9 +42,10 @@ class MANTID_DATAHANDLING_DLL SaveNXcanSAS final : public API::Algorithm {
   void init() override;
   /// Execution code
   void exec() override;
-};
+  void processAllWorkspaces();
 
-std::string MANTID_DATAHANDLING_DLL makeCanSASRelaxedName(const std::string &input);
+  std::vector<API::MatrixWorkspace_sptr> m_workspaces;
+};
 
 } // namespace DataHandling
 } // namespace Mantid

Framework/DataHandling/inc/MantidDataHandling/SaveNXcanSASBase.h

@@ -0,0 +1,36 @@
+// Mantid Repository : https://github.com/mantidproject/mantid
+//
+// Copyright © 2025 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 +
+#pragma once
+
+#include "MantidAPI/Algorithm.h"
+#include "MantidAPI/MatrixWorkspace_fwd.h"
+#include "MantidDataHandling/DllConfig.h"
+#include <H5Cpp.h>
+#include <filesystem>
+
+namespace Mantid {
+namespace DataHandling {
+
+/** SaveNXcanSASBase : Base class to save a reduced workspace in the NXcanSAS format. Currently
+ * only MatrixWorkspaces resulting from
+ * 1D and 2D reductions are supported.
+ */
+class MANTID_DATAHANDLING_DLL SaveNXcanSASBase : public API::Algorithm {
+protected:
+  void saveSingleWorkspaceFile(const API::MatrixWorkspace_sptr &workspace, const std::filesystem::path &path);
+  void addStandardMetadata(const Mantid::API::MatrixWorkspace_sptr &workspace, H5::Group &sasEntry);
+  void addData(H5::Group &group, const Mantid::API::MatrixWorkspace_sptr &workspace);
+  H5::Group addSasEntry(H5::H5File &file, const Mantid::API::MatrixWorkspace_sptr &workspace,
+                        const std::string &suffix);
+  void initStandardProperties();
+  std::map<std::string, std::string> validateStandardInputs();
+
+  std::unique_ptr<API::Progress> m_progress = nullptr;
+};
+
+} // namespace DataHandling
+} // namespace Mantid