Refs #5350 Load of qvectors works now

modified:   ../../Mantid/Framework/DataHandling/inc/MantidDataHandling/LoadSassena.h
modified:   ../../Mantid/Framework/DataHandling/src/LoadSassena.cpp
modified:   ../../Mantid/Framework/DataHandling/test/LoadSassenaTest.h
modified:   ../../../Test/AutoTestData/outputSassena_1.4.1.h5

Code/Mantid/Framework/DataHandling/inc/MantidDataHandling/LoadSassena.h

@@ -6,6 +6,7 @@
 //----------------------------------------------------------------------
 #include "MantidAPI/IDataFileChecker.h"
 #include "MantidAPI/WorkspaceGroup.h"
+#include "MantidDataObjects/Workspace2D.h"
 
 namespace Mantid
 {
@@ -82,6 +83,10 @@ namespace Mantid
      */
     int fileCheck(const std::string& filePath);
 
+  protected:
+    /// Add a workspace to the group and register in the analysis data service
+    void registerWorkspace(API::WorkspaceGroup_sptr gws, const std::string wsName, DataObjects::Workspace2D_sptr ws, const std::string &description);
+
   private:
     /// Sets documentation strings for this algorithm
     virtual void initDocs(); // Sets documentation strings for this algorithm

Code/Mantid/Framework/DataHandling/src/LoadSassena.cpp

@@ -62,6 +62,12 @@ int LoadSassena::fileCheck(const std::string &filePath)
   return confidence;
 }
 
+void LoadSassena::registerWorkspace( API::WorkspaceGroup_sptr gws, const std::string wsName, DataObjects::Workspace2D_sptr ws, const std::string &description )
+{
+  this->declareProperty(new API::WorkspaceProperty<DataObjects::Workspace2D>(wsName,"",Kernel::Direction::Output), description);
+  this->setProperty(wsName,ws);
+  gws->add(wsName); // Add the named workspace to the group
+}
 /**
  * Initialise the algorithm. Declare properties which can be set before execution (input) or
  * read from after the execution (output).
@@ -83,22 +89,17 @@ void LoadSassena::init()
  */
 void LoadSassena::exec()
 {
-  //this->GWS = API::WorkspaceFactory::Instance().create("WorkspaceGroup");
-  // WorkspaceGroup_sptr wsgroup = AnalysisDataService::Instance().retrieveWS<WorkspaceGroup>(inputs_orig[i]);
-  // API::WorkspaceGroup_sptr gws = boost::dynamic_pointer_cast<API::WorkspaceGroup>(rws);
-  // MatrixWorkspace_sptr outputWS = boost::dynamic_pointer_cast<MatrixWorkspace>(WorkspaceFactory::Instance().create("Workspace2D",numSpectra,energies.size(),numBins));
-
-  API::WorkspaceGroup_sptr gws = this->getProperty("OutputWorkspace");
-  const std::string gwsName = gws->name();
+  const std::string gwsName = this->getPropertyValue("OutputWorkspace");
+  API::WorkspaceGroup_sptr gws(new API::WorkspaceGroup);
 
   //populate m_validSets
   int nvalidSets = 4;
   const char* validSets[] = { "fq", "fq0", "fq2", "fqt"};
   for(int iSet=0; iSet<nvalidSets; iSet++) this->m_validSets.push_back( validSets[iSet] );
 
   //open the HDF5 file
-  this->m_filename = this->getPropertyValue("Filename");
-  hid_t h5file = H5Fopen(this->m_filename.c_str(),H5F_ACC_RDONLY,H5P_DEFAULT);
+  m_filename = this->getPropertyValue("Filename");
+  hid_t h5file = H5Fopen(m_filename.c_str(),H5F_ACC_RDONLY,H5P_DEFAULT);
   herr_t status;
 
   //find out the sassena version used
@@ -110,32 +111,35 @@ void LoadSassena::exec()
   //to be done at a later time, maybe implement a Version class
 
   int rank[3]; //store dimensions
+  H5T_class_t class_id;
+  size_t type_size;
+  hsize_t dims[3];
   /*load vectors onto a Workspace2D with 3 bins (the three components of the vectors)
    * dataX for the origin of the vector (assumed (0,0,0) )
    * dataY for the tip of the vector
    * dataE is assumed (0,0,0), no errors
    */
   std::string setName("qvectors");
-  status = H5LTget_dataset_ndims( h5file, setName.c_str(), rank );
-  int nq = rank[0]; //number of q-vectors
-  DataObjects::Workspace2D_sptr ws = boost::dynamic_pointer_cast<DataObjects::Workspace2D>(API::WorkspaceFactory::Instance().create("Workspace2D", nq, 3, 3));
-  std::string wsName = gwsName + std::string(".qvectors") + setName;
-  ws->setTitle(wsName);
-  ws->getAxis(0)->setUnit("MomemtumTransfer");
-  ws->setYUnit("MomemtumTransfer");
+  status = H5LTget_dataset_info( h5file, setName.c_str(), dims, &class_id, &type_size );
+  int nq = static_cast<int>( dims[0] ); //number of q-vectors
   double* buf = new double[nq*3];
   H5LTread_dataset_double(h5file,"qvectors",buf);
+
+  DataObjects::Workspace2D_sptr ws = boost::dynamic_pointer_cast<DataObjects::Workspace2D>(API::WorkspaceFactory::Instance().create("Workspace2D", nq, 3, 3));
+  std::string wsName = gwsName + std::string(".") + setName;
+  ws->setTitle(wsName);
   MantidVec qvmod; //store the modulus of the vector
+
   double* curr = buf;
   for(int iq=0; iq<nq; iq++){
     MantidVec& Y = ws->dataY(iq);
     Y.assign(curr,curr+3);
     qvmod.push_back( sqrt( curr[0]*curr[0] + curr[1]*curr[1] + curr[2]*curr[2] ) );
     curr += 3;
   }
-  delete buf;
-  gws->add(wsName); // Add the named workspace to the group
 
+  delete buf;
+  this->registerWorkspace(gws,setName,ws, "X-axis: origin of Q-vectors; Y-axis: tip of Q-vectors");
 
 
   //iterate over the valid sets
@@ -164,7 +168,8 @@ void LoadSassena::exec()
           curr += 2;
         }
         delete buf;
-        gws->add(wsName); // Add the named workspace to the group
+
+        this->registerWorkspace(gws,setName,ws, "X-axis: Q-vector modulus; Y-axis: intermediate structure factor");
       }
 
       else if(setName == "fqt")
@@ -204,12 +209,14 @@ void LoadSassena::exec()
           }
         }
         delete buf;
-        gws->add(wsReName); // Add the named workspace to the group
-        gws->add(wsImName);
+        this->registerWorkspace(gws,wsReName,wsRe, "X-axis: time; Y-axis: real part of intermediate structure factor");
+        this->registerWorkspace(gws,wsImName,wsIm, "X-axis: time; Y-axis: imaginary part of intermediate structure factor");
       }
     }
   }
 
+  this->setProperty( "OutputWorkspace", gws ); //register the groupWorkspace in the analysis data service
+
 } // end of LoadSassena::exec()
 
 

Code/Mantid/Framework/DataHandling/test/LoadSassenaTest.h

@@ -7,13 +7,48 @@
 class LoadSassenaTest : public CxxTest::TestSuite
 {
 public:
-  void test_Init()
+  static LoadSassenaTest *createSuite() { return new LoadSassenaTest(); }
+  static void destroySuite( LoadSassenaTest *suite ) { delete suite; }
+
+  LoadSassenaTest()
+  {
+    m_inputFile = "outputSassena_1.4.1.h5";
+  }
+
+  void testInit()
+  {
+    TS_ASSERT_THROWS_NOTHING( m_alg.initialize() )
+    TS_ASSERT( m_alg.isInitialized() )
+  }
+
+  void testFileCheck()
   {
-    Mantid::DataHandling::LoadSassena alg;
-    TS_ASSERT_THROWS_NOTHING( alg.initialize() )
-    TS_ASSERT( alg.isInitialized() )
+    if( !m_alg.isInitialized() ) m_alg.initialize();
+    m_alg.setPropertyValue( "Filename", m_inputFile );
+    TS_ASSERT_EQUALS(m_alg.fileCheck(m_alg.getPropertyValue("Filename")), 99);
   }
 
-};
+  void testExec()
+  {
+    std::string result;
+    if( !m_alg.isInitialized() ) m_alg.initialize();
+
+    m_alg.setPropertyValue( "Filename", m_inputFile );
+
+    const std::string outSpace = "outGWS";
+    m_alg.setPropertyValue( "OutputWorkSpace", outSpace );
+    TS_ASSERT_THROWS_NOTHING( result = m_alg.getPropertyValue("OutputWorkspace") )
+    TS_ASSERT( result == outSpace );
+
+    TS_ASSERT_THROWS_NOTHING( m_alg.execute() );
+    TS_ASSERT( m_alg.isExecuted() );
+
+  } // end of testExec
+
+private:
+  std::string m_inputFile;
+  Mantid::DataHandling::LoadSassena m_alg;
+
+}; // end of class LoadSassenaTest
 
 #endif // MANTID_DATAHANDLING_LOADSASSENATEST_H_