Re #9261 Put parameters into workspace

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

@@ -113,6 +113,12 @@ class DLLExport LoadFullprofResolution : public API::Algorithm {
   // name in the XML file
   static std::string getXMLParameterName(const std::string &name);
 
+  /// Create Bank to Workspace Correspondence
+  static void createBankToWorkspaceMap ( const std::vector<int>& banks, const std::vector<int>& workspaces, std::map< int, size_t>& WorkpsaceOfBank );
+
+  /// Place to store the row numbers
+  static std::map<std::string, size_t> m_rowNumbers;
+
 private:
   /// Implement abstract Algorithm methods
   void init();
@@ -152,17 +158,11 @@ class DLLExport LoadFullprofResolution : public API::Algorithm {
   DataObjects::TableWorkspace_sptr
   genTableWorkspace(std::map<int, std::map<std::string, double>> bankparammap);
 
-  /// Generate bank information workspace
-  DataObjects::TableWorkspace_sptr
-  genInfoTableWorkspace(std::vector<int> banks);
-
-  /// Create Bank to Workspace Correspondence
-  void createBankToWorkspaceMap(const std::vector<int> &banks,
-                                const std::vector<int> &workspaces,
-                                std::map<int, size_t> &WorkpsaceOfBank);
-
-  /// Place to store the row numbers
-  static std::map<std::string, size_t> m_rowNumbers;
+  ///// Generate bank information workspace
+  //DataObjects::TableWorkspace_sptr
+  //genInfoTableWorkspace(std::vector<int> banks);
+  //                              const std::vector<int> &workspaces,
+  //                              std::map<int, size_t> &WorkpsaceOfBank);
 };
 
 } // namespace DataHandling

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

@@ -1,5 +1,5 @@
-#ifndef MANTID_DATAHANDLING_LOADFULLPROFRESOLUTION_H_
-#define MANTID_DATAHANDLING_LOADFULLPROFRESOLUTION_H_
+#ifndef MANTID_DATAHANDLING_LOADGSASINSTRUMENTFILE_H_
+#define MANTID_DATAHANDLING_LOADGSASINSTRUMENTFILE_H_
 
 #include "MantidKernel/System.h"
 #include "MantidAPI/Algorithm.h"
@@ -89,4 +89,4 @@ class DLLExport LoadGSASInstrumentFile : public API::Algorithm {
 } // namespace DataHandling
 } // namespace Mantid
 
-#endif /* MANTID_DATAHANDLING_LOADFULLPROFRESOLUTION_H_ */
+#endif  /* MANTID_DATAHANDLING_LOADGSASINSTRUMENTFILE_H_ */

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

@@ -7,6 +7,7 @@
 #include "MantidAPI/InstrumentDataService.h"
 #include "MantidGeometry/Instrument/InstrumentDefinitionParser.h"
 #include "MantidDataHandling/LoadParameterFile.h"
+#include "MantidDataHandling/LoadFullprofResolution.h"
 
 #include <Poco/DOM/DOMWriter.h>
 #include <Poco/DOM/Element.h>
@@ -37,6 +38,7 @@ namespace DataHandling {
 
 DECLARE_ALGORITHM(LoadGSASInstrumentFile)
 
+
 //----------------------------------------------------------------------------------------------
 /** Constructor
  */
@@ -63,6 +65,29 @@ void LoadGSASInstrumentFile::init() {
   declareProperty(wsprop, "Name of the output TableWorkspace containing "
                           "instrument parameter information read from file. ");
 
+    // Use bank numbers as given in file
+    declareProperty(
+        new PropertyWithValue<bool>("UseBankIDsInFile", true, Direction::Input),
+        "Use bank IDs as given in file rather than ordinal number of bank. "
+        "If the bank IDs in the file are not unique, it is advised to set this to false." );
+
+    // Bank to import
+    declareProperty(new ArrayProperty<int>("Banks"), "ID(s) of specified bank(s) to load, "
+                    "The IDs are as specified by UseBankIDsInFile. " 
+                    "Default is all banks contained in input .prm file.");
+
+    // Workspace to put parameters into. It must be a workspace group with one worskpace per bank from the prm file
+    declareProperty(new WorkspaceProperty<WorkspaceGroup>("Workspace","",Direction::InOut, PropertyMode::Optional),
+        "A workspace group with the instrument to which we add the parameters from the GSAS instrument file, with one workspace for each bank of the .prm file");
+
+   // Workspaces for each bank
+    declareProperty(new ArrayProperty<int>("WorkspacesForBanks"), "For each bank,"
+                    " the ID of the corresponding workspace in same order as the banks are specified. "
+                    "ID=1 refers to the first workspace in the workspace group, "
+                    "ID=2 refers to the second workspace and so on. "
+                    "Default is all workspaces in numerical order. "
+                    "If default banks are specified, they too are taken to be in numerical order" );
+
   return;
 }
 
@@ -89,6 +114,7 @@ void LoadGSASInstrumentFile::exec() {
     }
   }
 
+    int nProf = 2;
   size_t numBanks = getNumberOfBanks(lines);
   g_log.debug() << numBanks << "banks in file \n";
 
@@ -122,17 +148,63 @@ void LoadGSASInstrumentFile::exec() {
     g_log.debug() << "Bank starts at line" << bankStartIndex[i] + 1 << "\n";
   }
 
+    // Get Workspace property
+    WorkspaceGroup_sptr wsg = getProperty("Workspace");
   // Generate output table workspace
   API::ITableWorkspace_sptr outTabWs = genTableWorkspace(bankparammap);
-
   if (getPropertyValue("OutputTableWorkspace") != "") {
     // Output the output table workspace
     setProperty("OutputTableWorkspace", outTabWs);
   }
+    if ( wsg )
+    {
+      vector<int> bankIds = getProperty("Banks");
+      vector<int> workspaceIds = getProperty("WorkspacesForBanks");
+      map < int, size_t > workspaceOfBank;
+
+      // Deal with bankIds
+      if ( bankIds.size() )
+      {
+        // If user provided a list of banks, check that they exist in the .prm file
+        for (size_t i=0; i<bankIds.size(); i++)
+        {
+          if ( !bankparammap.count(bankIds[i]) )
+          {
+            std::stringstream errorString;
+            errorString << "Bank " << bankIds[i] << " not found in .prm file";
+            throw runtime_error(errorString.str());
+          }
+        }
+      }
+      else
+      {
+        // Else, use all available banks
+        for(map<size_t,map<string,double> >::iterator it=bankparammap.begin(); it!=bankparammap.end(); ++it)
+        {
+          bankIds.push_back(static_cast<int>(it->first));
+        }
+      }
 
-  if (getPropertyValue("OutputTableWorkspace") == "") {
-    // We don't know where to output
-    throw std::runtime_error("OutputTableWorkspace must be set.");
+      // Generate workspaceOfBank
+      LoadFullprofResolution::createBankToWorkspaceMap ( bankIds, workspaceIds, workspaceOfBank);
+      // Put parameters into workspace group
+      LoadFullprofResolution::getTableRowNumbers( outTabWs, LoadFullprofResolution::m_rowNumbers);
+      for (size_t i=0; i < bankIds.size(); ++i)
+      {
+        int bankId = bankIds[i];
+        size_t wsId = workspaceOfBank[bankId];
+        Workspace_sptr wsi = wsg->getItem(wsId-1); 
+        auto workspace = boost::dynamic_pointer_cast<MatrixWorkspace>(wsi);
+        // Get column from table workspace
+        API::Column_const_sptr OutTabColumn = outTabWs->getColumn( i+1 );
+        std::string parameterXMLString;
+        LoadFullprofResolution::putParametersIntoWorkspace( OutTabColumn, workspace, static_cast<int>(bankparammap[i]["NPROF"]), parameterXMLString );  
+        // Load the string into the workspace
+        Algorithm_sptr loadParamAlg = createChildAlgorithm("LoadParameterFile");
+        loadParamAlg->setProperty("ParameterXML", parameterXMLString);
+        loadParamAlg->setProperty("Workspace", workspace);
+        loadParamAlg->execute();
+      }
   }
 
   return;