Refs #5146 first version of exec method

modified:   CMakeLists.txt
modified:   inc/MantidDataHandling/LoadSassena.h
modified:   src/LoadSassena.cpp

Code/Mantid/Framework/DataHandling/CMakeLists.txt

@@ -69,6 +69,7 @@ set ( SRC_FILES
 	src/LoadRawBin0.cpp
 	src/LoadRawHelper.cpp
 	src/LoadRawSpectrum0.cpp
+        src/LoadSassena.cpp
 	src/LoadSNSEventNexus.cpp
 	src/LoadSNSNexus.cpp
 	src/LoadSNSspec.cpp
@@ -185,6 +186,7 @@ set ( INC_FILES
 	inc/MantidDataHandling/LoadRawBin0.h
 	inc/MantidDataHandling/LoadRawHelper.h
 	inc/MantidDataHandling/LoadRawSpectrum0.h
+	inc/MantidDataHandling/LoadSassena.h
 	inc/MantidDataHandling/LoadSNSEventNexus.h
 	inc/MantidDataHandling/LoadSNSNexus.h
 	inc/MantidDataHandling/LoadSNSspec.h
@@ -298,6 +300,7 @@ set ( TEST_FILES
 	test/LoadRawBin0Test.h
 	test/LoadRawSpectrum0Test.h
 	test/LoadRawTest.h
+#	test/LoadSassenaTest.h
 	test/LoadSNSEventNexusTest.h
 	test/LoadSNSspecTest.h
 	test/LoadSPETest.h
@@ -358,9 +361,11 @@ set_target_properties ( DataHandling PROPERTIES OUTPUT_NAME MantidDataHandling )
 # Add to the 'Framework' group in VS
 set_property ( TARGET DataHandling PROPERTY FOLDER "MantidFramework" )
 
-include_directories ( inc ../Nexus/inc)
+find_package ( HDF5 COMPONENTS HL REQUIRED )
 
-target_link_libraries ( DataHandling ${MANTIDLIBS} Nexus )
+include_directories ( inc ../Nexus/inc ${HDF5_INCLUDE_DIRS})
+
+target_link_libraries ( DataHandling ${MANTIDLIBS} Nexus ${HDF5_LIBRARIES})
 
 if ( CXXTEST_FOUND )
   include_directories ( ../TestHelpers/inc )

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

@@ -89,9 +89,11 @@ namespace Mantid
     void init();             // Overwrites Algorithm method.
     /// Execution code
     void exec();             // Overwrites Algorithm method
+    /// Loads one dataset
+    void loadSet(const std::string& version, const std::string& setName);
 
     ///valid datasets
-    std::vector<const char*> m_validSets;
+    std::vector<std::string> m_validSets;
     /// name and path of input file
     std::string m_filename;
 

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

@@ -88,34 +88,129 @@ void LoadSassena::exec()
   // 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();
+
   //populate m_validSets
-  int nvalidSets = 5;
-  const char* validSets[] = { "fq", "fq0", "fq2", "fqt", "qvectors" };
+  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);
+  herr_t status;
 
   //find out the sassena version used
-  char *cversion = new char[16];
-  H5LTget_attribute_string( h5file, "/", "sassena_version", cversion );
+  char cversion[16];
+  status = H5LTget_attribute_string( h5file, "/", "sassena_version", cversion );
   const std::string version(cversion);
 
   //determine which loader protocol to use based on the version
   //to be done at a later time, maybe implement a Version class
 
-  //iterate over the valid sets
-  for(std::vector<const char*>::const_iterator it=this->m_validSets.begin(); it!=this->m_validSets.end(); ++it){
-    if (H5LTfind_dataset(h5file,*it)==1) {
-    /*an implementation of the abstract base loadSet class
-     *
-     */
+  int rank[3]; //store dimensions
+  /*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");
+  double* buf = new double[nq*3];
+  H5LTread_dataset_double(h5file,"qvectors",buf);
+  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
+
 
+
+  //iterate over the valid sets
+  for(std::vector<std::string>::const_iterator it=this->m_validSets.begin(); it!=this->m_validSets.end(); ++it){
+    setName = *it;
+    if (H5LTfind_dataset(h5file,setName.c_str())==1)
+    {
+      if(setName == "fq" || setName == "fq0" || setName == "fq2")
+      /* create workspace to store the structure factor.
+       * First spectrum is the real part, second spectrum is the imaginary part
+       */
+      {
+        DataObjects::Workspace2D_sptr ws = boost::dynamic_pointer_cast<DataObjects::Workspace2D>(API::WorkspaceFactory::Instance().create("Workspace2D", 2, nq, nq));
+        wsName = gwsName + std::string(".") + setName;
+        ws->setTitle(wsName);
+        ws->dataX(0) = qvmod;  //X-axis values are the modulus of the q vector
+        ws->dataX(1) = qvmod;
+        double* buf = new double[nq*2];
+        status = H5LTread_dataset_double(h5file,setName.c_str(),buf);
+        MantidVec& re = ws->dataY(0);
+        MantidVec& im = ws->dataY(1);
+        double* curr = buf;
+        for(int iq=0; iq<nq; iq++){
+          re[iq]=curr[0];
+          im[iq]=curr[1];
+          curr += 2;
+        }
+        delete buf;
+        gws->add(wsName); // Add the named workspace to the group
+      }
+
+      else if(setName == "fqt")
+      //Create one workspace to hold the real part and another to hold the imaginary part
+      {
+        double dt = 1.0; //time unit increment;
+        status = H5LTget_dataset_ndims( h5file, setName.c_str(), rank ); //rank = (nq,nt,2)
+        int nt = rank[1];
+        double* buf = new double[nq*nt*2];
+        status = H5LTread_dataset_double(h5file,setName.c_str(),buf);
+
+        DataObjects::Workspace2D_sptr wsRe = boost::dynamic_pointer_cast<DataObjects::Workspace2D>(API::WorkspaceFactory::Instance().create("Workspace2D", nq, nt, nt));
+        const std::string wsReName = gwsName + std::string(".") + setName + std::string(".Re");
+        wsRe->setTitle(wsReName);
+        wsRe->getAxis(0)->setUnit("TOF");
+
+        DataObjects::Workspace2D_sptr wsIm = boost::dynamic_pointer_cast<DataObjects::Workspace2D>(API::WorkspaceFactory::Instance().create("Workspace2D", nq, nt, nt));
+        const std::string wsImName = gwsName + std::string(".") + setName + std::string(".Im");
+        wsIm->setTitle(wsImName);
+        wsIm->getAxis(0)->setUnit("TOF");
+
+        double* curr = buf;
+        for(int iq=0; iq<nq; iq++)
+        {
+          MantidVec& reX = wsRe->dataX(iq);
+          MantidVec& imX = wsIm->dataX(iq);
+          MantidVec& reY = wsRe->dataY(iq);
+          MantidVec& imY = wsIm->dataY(iq);
+          for(int it=0; it<nt; it++)
+          {
+            reX[it] = it*dt;
+            imX[it] = it*dt;
+            reY[it] = *curr;
+            curr ++;
+            imY[it] = *curr;
+            curr ++;
+          }
+        }
+        delete buf;
+        gws->add(wsReName); // Add the named workspace to the group
+        gws->add(wsImName);
+      }
     }
   }
 
-}
-
+} // end of LoadSassena::exec()
 
 
 } // endof namespace DataHandling