Improve XML and other changes re #7617

Use component-link format for banks and whole instrument
Tidy up includes
Prepare for use of table workspace columns.

Signed-off-by: Karl Palmen <karl.palmen@stfc.ac.uk>

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

@@ -1,8 +1,8 @@
 #ifndef MANTID_DATAHANDLING_CONVERTFULLPROFTOXML_H_
 #define MANTID_DATAHANDLING_CONVERTFULLPROFTOXML_H_
 
-#include "MantidKernel/System.h"
 #include "MantidAPI/Algorithm.h"
+#include "MantidAPI/ITableWorkspace.h"
 
 namespace Mantid
 {
@@ -57,14 +57,8 @@ namespace DataHandling
     /// Load file to a vector of strings
     void loadFile(std::string filename, std::vector<std::string>& lines);
 
-    /// Scan imported file for bank information
-    void scanBanks(const std::vector<std::string>& lines, std::vector<int>& banks,
-                   std::map<int, int> &bankstartindexmap, std::map<int, int> &bankendindexmap);
-
-    /// Parse .irf file to a map
-    void parseResolutionStrings(std::map<std::string, double>& parammap, const std::vector<std::string>& lines, int bankid, int startlineindex, int endlineindex);
-
-    void parseBankLine(std::string line, double& cwl, int& bankid);
+    /// Get row numbers of the parameters in the table workspace
+    void getTableRowNumbers(const API::ITableWorkspace_sptr & tablews, std::map<std::string, size_t>& parammap);
 
   };
 

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

@@ -6,44 +6,28 @@ Convert the initial fitting parameters in a Fullprof file to XML format in an [[
 #include "MantidDataHandling/ConvertFullprofToXML.h"
 #include "MantidDataHandling/LoadFullprofResolution.h"
 #include "MantidAPI/FileProperty.h"
-#include "MantidKernel/ArrayProperty.h"
-#include "MantidAPI/WorkspaceProperty.h"
-#include "MantidAPI/AnalysisDataService.h"
 #include "MantidAPI/TableRow.h"
 
-#include <boost/algorithm/string/trim.hpp>
-#include <boost/algorithm/string.hpp>
-#include <boost/algorithm/string/iter_find.hpp>
-#include <boost/algorithm/string/finder.hpp>
-#include <boost/algorithm/string/predicate.hpp>
-
 #include <fstream>
 
 // Needed for writing the XML file (will be moved to a child algorithm)
 #include <Poco/DOM/Document.h>
 #include <Poco/DOM/DOMWriter.h>
 #include <Poco/DOM/Element.h>
 #include <Poco/DOM/Text.h>
-
-using namespace Poco::XML;
-
 #include <Poco/DOM/DOMParser.h>
 #include <Poco/DOM/Document.h>
 #include <Poco/DOM/NodeList.h>
 #include <Poco/DOM/NodeIterator.h>
 #include <Poco/DOM/NodeFilter.h>
 
 
-using namespace Mantid;
-using namespace Mantid::API;
-using namespace Mantid::DataObjects;
-using namespace Mantid::Kernel;
-using namespace std;
-
 namespace Mantid
 {
 namespace DataHandling
 {
+  using namespace API;
+  using namespace Poco::XML;
 
   DECLARE_ALGORITHM(ConvertFullprofToXML)
 
@@ -78,14 +62,14 @@ namespace DataHandling
   void ConvertFullprofToXML::init()
   {
     // Input file name
-    vector<std::string> exts;
+    std::vector<std::string> exts;
     exts.push_back(".irf");
     exts.push_back(".prf");
     declareProperty(new FileProperty("InputFilename", "", FileProperty::Load, exts),
         "Path to an Fullprof file to load.");
 
     // Output file
-    vector<std::string> extso;
+    std::vector<std::string> extso;
     extso.push_back(".xml");
     declareProperty(new FileProperty("OutputFilename", "", FileProperty::Save, extso),
       "The name to give to the parameter file.");
@@ -99,15 +83,13 @@ namespace DataHandling
   void ConvertFullprofToXML::exec()
   {
     // Get input
-    string datafile = getProperty("InputFilename");
+    std::string datafile = getProperty("InputFilename");
     // Get Output
-    string paramfile = getProperty("OutputFilename");
+    std::string paramfile = getProperty("OutputFilename");
 
     //vector<int> outputbankids = getProperty("Banks");
 
     // Load with LoadFullprofResolution
-    //LoadFullprofResolution loader;
-    //loader.initialize();
     auto loader = createChildAlgorithm("LoadFullprofResolution");
     loader->setProperty("Filename",datafile);
     loader->executeAsChildAlg();
@@ -142,6 +124,12 @@ namespace DataHandling
     rootElem->setAttribute("date", ISOdateShort);
     mDoc->appendChild(rootElem);
 
+    // Add instrument
+    Element* instrumentElem = mDoc->createElement("component-link");
+    instrumentElem->setAttribute("name","wholeInstrument");
+    rootElem->appendChild(instrumentElem);
+
+    // Add banks
     if(paramTable->columnCount() < 2){
       throw std::runtime_error("No banks found");
     }
@@ -151,7 +139,8 @@ namespace DataHandling
     {
       std::ostringstream bankName;
       bankName << "Bank" << (i+1);
-      Element* bankElem = mDoc->createElement(bankName.str());
+      Element* bankElem = mDoc->createElement("component-link");
+      bankElem->setAttribute("name",bankName.str());
       rootElem->appendChild(bankElem);
     }
 
@@ -162,6 +151,26 @@ namespace DataHandling
     return;
   }
 
+  /* This function fills in a list of the row numbers starting 0 of the parameters
+     in the table workspace, so one can find the position in a column of
+     the value of the given parameter.
+  */
+  void getTableRowNumbers(const API::ITableWorkspace_sptr & tablews, std::map<std::string, size_t>& parammap)
+  {
+    parammap.clear();
+
+    size_t numrows = tablews->rowCount();
+    for (size_t i = 0; i < numrows; ++i)
+    {
+      TableRow row = tablews->getRow(i);
+      std::string name;
+      row >> name;
+      parammap.insert(std::make_pair(name, i));
+    }
+
+    return;
+  }
+
 } // namespace DataHandling
 } // namespace Mantid