Merge pull request #26720 from rosswhitfield/SaveMD_options

Add options to SaveMD for MDHistoWorkspace

Framework/API/inc/MantidAPI/ExperimentInfo.h

@@ -116,6 +116,9 @@ public:
 
   /// Saves this experiment description to the open NeXus file
   void saveExperimentInfoNexus(::NeXus::File *file) const;
+  /// Saves this experiment description to the open NeXus file
+  void saveExperimentInfoNexus(::NeXus::File *file, bool saveInstrument,
+                               bool saveSample, bool saveLogs) const;
   /// Loads an experiment description from the open NeXus file
   void loadExperimentInfoNexus(const std::string &nxFilename,
                                ::NeXus::File *file, std::string &parameterStr);

Framework/API/src/ExperimentInfo.cpp

@@ -1156,6 +1156,26 @@ void ExperimentInfo::saveExperimentInfoNexus(::NeXus::File *file) const {
   run().saveNexus(file, "logs");
 }
 
+/** Save the object to an open NeXus file.
+ * @param file :: open NeXus file
+ * @param saveInstrument :: option to save Instrument
+ * @param saveSample :: option to save Sample
+ * @param saveLogs :: option to save Logs
+ */
+void ExperimentInfo::saveExperimentInfoNexus(::NeXus::File *file,
+                                             bool saveInstrument,
+                                             bool saveSample,
+                                             bool saveLogs) const {
+  Instrument_const_sptr instrument = getInstrument();
+
+  if (saveInstrument)
+    instrument->saveNexus(file, "instrument");
+  if (saveSample)
+    sample().saveNexus(file, "sample");
+  if (saveLogs)
+    run().saveNexus(file, "logs");
+}
+
 /** Load the sample and log info from an open NeXus file.
  * @param file :: open NeXus file
  */

Framework/MDAlgorithms/src/SaveMD2.cpp

@@ -70,6 +70,17 @@ void SaveMD2::init() {
   setPropertySettings("MakeFileBacked",
                       std::make_unique<EnabledWhenProperty>("UpdateFileBackEnd",
                                                             IS_EQUAL_TO, "0"));
+  declareProperty(
+      "SaveHistory", true,
+      "Option to not save the Mantid history in the file. Only for MDHisto");
+  declareProperty(
+      "SaveInstrument", true,
+      "Option to not save the instrument in the file. Only for MDHisto");
+  declareProperty(
+      "SaveSample", true,
+      "Option to not save the sample in the file. Only for MDHisto");
+  declareProperty("SaveLogs", true,
+                  "Option to not save the logs in the file. Only for MDHisto");
 }
 
 //----------------------------------------------------------------------------------------------
@@ -94,8 +105,9 @@ void SaveMD2::doSaveHisto(Mantid::DataObjects::MDHistoWorkspace_sptr ws) {
   file->putAttr("SaveMDVersion", 2);
 
   // Write out the coordinate system
-  file->writeData("coordinate_system",
-                  static_cast<uint32_t>(ws->getSpecialCoordinateSystem()));
+  if (getProperty("SaveSample"))
+    file->writeData("coordinate_system",
+                    static_cast<uint32_t>(ws->getSpecialCoordinateSystem()));
 
   // Write out the Qconvention
   // ki-kf for Inelastic convention; kf-ki for Crystallography convention
@@ -104,28 +116,36 @@ void SaveMD2::doSaveHisto(Mantid::DataObjects::MDHistoWorkspace_sptr ws) {
   file->putAttr("QConvention", m_QConvention);
 
   // Write out the visual normalization
-  file->writeData("visual_normalization",
-                  static_cast<uint32_t>(ws->displayNormalization()));
+  if (getProperty("SaveSample"))
+    file->writeData("visual_normalization",
+                    static_cast<uint32_t>(ws->displayNormalization()));
 
   // Save the algorithm history under "process"
-  ws->getHistory().saveNexus(file);
+  if (getProperty("SaveHistory"))
+    ws->getHistory().saveNexus(file);
 
   // Save all the ExperimentInfos
-  for (uint16_t i = 0; i < ws->getNumExperimentInfo(); i++) {
-    ExperimentInfo_sptr ei = ws->getExperimentInfo(i);
-    std::string groupName = "experiment" + Strings::toString(i);
-    if (ei) {
-      // Can't overwrite entries. Just add the new ones
-      file->makeGroup(groupName, "NXgroup", true);
-      file->putAttr("version", 1);
-      ei->saveExperimentInfoNexus(file);
-      file->closeGroup();
+  if (getProperty("SaveInstrument") || (getProperty("SaveSample")) ||
+      getProperty("SaveLogs")) {
+    for (uint16_t i = 0; i < ws->getNumExperimentInfo(); i++) {
+      ExperimentInfo_sptr ei = ws->getExperimentInfo(i);
+      std::string groupName = "experiment" + Strings::toString(i);
+      if (ei) {
+        // Can't overwrite entries. Just add the new ones
+        file->makeGroup(groupName, "NXgroup", true);
+        file->putAttr("version", 1);
+        ei->saveExperimentInfoNexus(file, getProperty("SaveInstrument"),
+                                    getProperty("SaveSample"),
+                                    getProperty("SaveLogs"));
+        file->closeGroup();
+      }
     }
   }
 
   // Write out the affine matrices
-  MDBoxFlatTree::saveAffineTransformMatricies(
-      file, boost::dynamic_pointer_cast<const IMDWorkspace>(ws));
+  if (getProperty("SaveSample"))
+    MDBoxFlatTree::saveAffineTransformMatricies(
+        file, boost::dynamic_pointer_cast<const IMDWorkspace>(ws));
 
   // Check that the typedef has not been changed. The NeXus types would need
   // changing if it does!

Framework/MDAlgorithms/test/SaveMD2Test.h

@@ -189,6 +189,60 @@ public:
       Poco::File(this_filename).remove();
   }
 
+  void test_saveOptions() {
+    std::string filename("OptionsSaveMD2Test.nxs");
+    MDHistoWorkspace_sptr ws = MDEventsTestHelper::makeFakeMDHistoWorkspace(
+        2.5, 2, 10, 10.0, 3.5, "histo2", 4.5);
+
+    Mantid::Geometry::Goniometer gon;
+    gon.pushAxis("Psi", 0, 1, 0);
+    // add experiment infos
+    for (int i = 0; i < 80; i++) {
+      ExperimentInfo_sptr ei = boost::make_shared<ExperimentInfo>();
+      ei->mutableRun().addProperty("Psi", double(i));
+      ei->mutableRun().addProperty("Ei", 400.);
+      ei->mutableRun().setGoniometer(gon, true);
+      ws->addExperimentInfo(ei);
+    }
+
+    AnalysisDataService::Instance().addOrReplace("SaveMD2Test_ws", ws);
+
+    // Save everything
+    SaveMD2 alg;
+    TS_ASSERT_THROWS_NOTHING(alg.initialize())
+    TS_ASSERT(alg.isInitialized())
+    TS_ASSERT_THROWS_NOTHING(
+        alg.setPropertyValue("InputWorkspace", "SaveMD2Test_ws"));
+    TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filename", filename));
+    alg.execute();
+    TS_ASSERT(alg.isExecuted());
+    std::string this_filename = alg.getProperty("Filename");
+    long unsigned int fileSize = Poco::File(this_filename).getSize();
+    if (Poco::File(this_filename).exists())
+      Poco::File(this_filename).remove();
+
+    // Only save data
+    SaveMD2 alg2;
+    TS_ASSERT_THROWS_NOTHING(alg2.initialize())
+    TS_ASSERT(alg2.isInitialized())
+    TS_ASSERT_THROWS_NOTHING(
+        alg2.setPropertyValue("InputWorkspace", "SaveMD2Test_ws"));
+    TS_ASSERT_THROWS_NOTHING(alg2.setPropertyValue("Filename", filename));
+    TS_ASSERT_THROWS_NOTHING(alg2.setPropertyValue("SaveHistory", "0"));
+    TS_ASSERT_THROWS_NOTHING(alg2.setPropertyValue("SaveInstrument", "0"));
+    TS_ASSERT_THROWS_NOTHING(alg2.setPropertyValue("SaveSample", "0"));
+    TS_ASSERT_THROWS_NOTHING(alg2.setPropertyValue("SaveLogs", "0"));
+    alg2.execute();
+    TS_ASSERT(alg2.isExecuted());
+    std::string this_filename2 = alg2.getProperty("Filename");
+    long unsigned int fileSize2 = Poco::File(this_filename2).getSize();
+    if (Poco::File(this_filename2).exists())
+      Poco::File(this_filename2).remove();
+
+    // The second file should be small since less is saved
+    TS_ASSERT_LESS_THAN(fileSize2, fileSize);
+  }
+
   void test_saveAffine() {
     std::string filename("MDAffineSaveMD2Test.nxs");
     // Make a 4D MDEventWorkspace

docs/source/release/v4.2.0/framework.rst

@@ -16,6 +16,7 @@ Algorithms
 ----------
 * :ref:`MaskAngle <algm-MaskAngle>` has an additional option of ``Angle='InPlane'``
 * Whitespace is now ignored anywhere in the string when setting the Filename parameter in :ref:`Load <algm-Load>`.
+* Added options to :ref:`SaveMD <algm-SaveMD>` to allow selection of what will be saved. For MDHistoWorkspace only.
 
 Data Objects
 ------------