Implement SaveFullprofResolution. Refs #5836.

Code/Mantid/Framework/DataHandling/CMakeLists.txt

@@ -114,6 +114,7 @@ set ( SRC_FILES
 	src/SaveDetectorMasks.cpp
 	src/SaveDetectorsGrouping.cpp
 	src/SaveDspacemap.cpp
+	src/SaveFullprofResolution.cpp
 	src/SaveFocusedXYE.cpp
 	src/SaveGSS.cpp
 	src/SaveISISNexus.cpp
@@ -245,6 +246,7 @@ set ( INC_FILES
 	inc/MantidDataHandling/SaveDetectorMasks.h
 	inc/MantidDataHandling/SaveDetectorsGrouping.h
 	inc/MantidDataHandling/SaveDspacemap.h
+	inc/MantidDataHandling/SaveFullprofResolution.h
 	inc/MantidDataHandling/SaveFocusedXYE.h
 	inc/MantidDataHandling/SaveGSS.h
 	inc/MantidDataHandling/SaveISISNexus.h
@@ -271,11 +273,11 @@ set ( INC_FILES
 )
 
 set ( TEST_FILES
-	#Needs fixing to not rely on network. SNSLiveEventDataListenerTest.h
 	#LoadDAETest.h
 	#LoadILLTest.h
 	#LoadSNSNexusTest.h # TODO has no active tests in it
 	#LoadSassenaTest.h
+	#Needs fixing to not rely on network. SNSLiveEventDataListenerTest.h
 	AppendGeometryToSNSNexusTest.h
 	CompressEventsTest.h
 	CreateChopperModelTest.h
@@ -363,6 +365,7 @@ set ( TEST_FILES
 	SaveDaveGrpTest.h
 	SaveDetectorsGroupingTest.h
 	SaveDspacemapTest.h
+	SaveFullprofResolutionTest.h
 	SaveFocussedXYETest.h
 	SaveIsawDetCalTest.h
 	SaveMaskTest.h

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

@@ -0,0 +1,74 @@
+#ifndef MANTID_DATAHANDLING_SAVEFullprofRESOLUTION_H_
+#define MANTID_DATAHANDLING_SAVEFullprofRESOLUTION_H_
+
+#include "MantidKernel/System.h"
+#include "MantidAPI/Algorithm.h"
+#include "MantidDataObjects/TableWorkspace.h"
+
+namespace Mantid
+{
+namespace DataHandling
+{
+
+  /** SaveFullprofResolution : TODO: DESCRIPTION
+    
+    Copyright © 2012 ISIS Rutherford Appleton Laboratory & NScD Oak Ridge National Laboratory
+
+    This file is part of Mantid.
+
+    Mantid is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 3 of the License, or
+    (at your option) any later version.
+
+    Mantid is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with this program.  If not, see <http://www.gnu.org/licenses/>.
+
+    File change history is stored at: <https://svn.mantidproject.org/mantid/trunk/Code/Mantid>
+    Code Documentation is available at: <http://doxygen.mantidproject.org>
+  */
+  class DLLExport SaveFullprofResolution : public API::Algorithm
+  {
+  public:
+    SaveFullprofResolution();
+    virtual ~SaveFullprofResolution();
+
+    /// Algorithm's name
+    virtual const std::string name() const { return "SaveFullprofResolution"; }
+    /// Algorithm's version
+    virtual int version() const { return (1); }
+    /// Algorithm's category for identification
+    virtual const std::string category() const { return "Diffraction;DataHandling\\Text"; }
+
+  private:
+    /// Sets documentation strings for this algorithm
+    virtual void initDocs();
+    /// Initialisation code
+    void init();
+    ///Execution code
+    void exec();
+    ///Write the header information
+
+    std::string toIRFString(int bankid);
+
+    /// Parse input workspace to map of parameters
+    void parseTableWorkspace();
+
+    /// Map containing the name of value of each parameter required by .irf file
+    std::map<std::string, double> mParameters;
+
+    /// Input table workspace
+    DataObjects::TableWorkspace_sptr inpWS;
+
+  };
+
+
+} // namespace DataHandling
+} // namespace Mantid
+
+#endif  /* MANTID_DATAHANDLING_SAVEFullprofRESOLUTION_H_ */

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

@@ -0,0 +1,176 @@
+#include "MantidDataHandling/SaveFullprofResolution.h"
+#include "MantidAPI/WorkspaceProperty.h"
+#include "MantidAPI/FileProperty.h"
+#include "MantidAPI/TableRow.h"
+#include <iomanip>
+#include <fstream>
+
+using namespace Mantid;
+using namespace Mantid::Kernel;
+using namespace Mantid::DataObjects;
+using namespace std;
+
+namespace Mantid
+{
+namespace DataHandling
+{
+
+
+  //----------------------------------------------------------------------------------------------
+  /** Constructor
+   */
+  SaveFullprofResolution::SaveFullprofResolution()
+  {
+  }
+
+
+  //----------------------------------------------------------------------------------------------
+  /** Destructor
+   */
+  SaveFullprofResolution::~SaveFullprofResolution()
+  {
+  }
+
+  /** Wiki docs
+    */
+  void SaveFullprofResolution::initDocs()
+  {
+    this->setWikiSummary("Generate Fullprof's resolution file (.irf) from table workspace.");
+    this->setOptionalMessage("Genearte Fullprof's .irf file from TableWorkspace. ");
+  }
+
+  /** Init to define parameters
+    */
+  void SaveFullprofResolution::init()
+  {
+      this->declareProperty(new API::WorkspaceProperty<DataObjects::TableWorkspace>("InputWorkspace", "Anonymous", Direction::InOut),
+                            "Input TableWorkspace containing the parameters for .irf file.");
+
+      std::vector<std::string> exts;
+      exts.push_back(".irf");
+      this->declareProperty(new API::FileProperty("OutputFile", "fp.irf", API::FileProperty::Save, exts),
+                            "Name of the output .irf file.");
+
+      this->declareProperty("Bank", 1, "Bank number of the parameters belonged to. ");
+  }
+
+  /** Main execution body
+    */
+  void SaveFullprofResolution::exec()
+  {
+    // 1. Get input parameters
+    inpWS = getProperty("InputWorkspace");
+    std::string irffilename = getProperty("OutputFile");
+    int bankid = getProperty("Bank");
+
+    // 2. Generate the string for the file to write
+    std::string filestr = toIRFString(bankid);
+
+    // 3. Write to file
+    std::ofstream ofile;
+    ofile.open(irffilename);
+    ofile << filestr;
+    ofile.close();
+
+    return;
+  }
+
+  /** Parse the table workspace to a map of parameters (name and value)
+    * to look up
+    */
+  void SaveFullprofResolution::parseTableWorkspace()
+  {
+    // 1. Clear the parameter
+    mParameters.clear();
+
+    // 2. Check the table workspace
+    std::vector<std::string> colnames = inpWS->getColumnNames();
+    // FIXME - The order of the column name can be flexible in future
+    if (colnames.size() < 2 || colnames[0].compare("Name") || colnames[1].compare("Value"))
+    {
+      std::stringstream errmsg;
+      errmsg << "Input parameter workspace is not supported or recoganizable.  Possible reason is " << std::endl;
+      errmsg << "(1) too few columns.  (2) first and second column are not Name and Value.";
+      g_log.error() << errmsg.str() << std::endl;
+      throw std::invalid_argument(errmsg.str());
+    }
+
+    // 3. Parse
+    size_t numrows = inpWS->rowCount();
+    for (size_t ir = 0; ir < numrows; ++ir)
+    {
+      const API::TableRow& row = inpWS->getRow(ir);
+      std::string parname;
+      double parvalue;
+      row >> parname >> parvalue;
+      mParameters.insert(std::make_pair(parname, parvalue));
+    }
+
+    return;
+  }
+
+
+  /**  Convert the parameters to Fullprof resolution file string
+    */
+  std::string SaveFullprofResolution::toIRFString(int bankid)
+  {
+      double tofmin = mParameters["tof-min"];
+      double tofmax = mParameters["tof-max"];
+      double zero = mParameters["Zero"];
+      double zerot = mParameters["Zerot"];
+      double tofstep = mParameters["step"];
+      double dtt1 = mParameters["Dtt1"];
+      double dtt1t = mParameters["Dtt1t"];
+      double dtt2t = mParameters["Dtt2t"];
+      double xcross = mParameters["Tcross"];
+      double width = mParameters["Width"];
+      double sig2 = mParameters["Sig2"];
+      double sig1 = mParameters["Sig1"];
+      double sig0 = mParameters["Sig0"];
+      double gam2 = mParameters["Gam2"];
+      double gam1 = mParameters["Gam1"];
+      double gam0 = mParameters["Gam0"];
+      double alph0 = mParameters["Alph0"];
+      double alph1 = mParameters["Alph1"];
+      double alph0t = mParameters["Alph0t"];
+      double alph1t = mParameters["Alph1t"];
+      double beta0 = mParameters["Beta0"];
+      double beta1 = mParameters["Beta1"];
+      double beta0t = mParameters["Beta0t"];
+      double beta1t = mParameters["Beta0"];
+      double profindex = mParameters["Profile"];
+      double twotheta = mParameters["twotheta"];
+
+      std::stringstream content;
+
+      content << "  Instrumental resolution function for POWGEN/SNS  J.P. Hodges  2011-09-02  ireso: 6" << std::endl;
+      content << "! To be used with function NPROF=" << profindex << " in FullProf  (Res=6)" << std::endl;
+      content << "! ----------------------------------------------  Bank " << bankid << "  CWL =   0.5330A" << std::endl;
+      content << "!  Type of profile function: back-to-back exponentials * pseudo-Voigt" << std::endl;
+      content << "NPROF " << profindex << std::endl;
+      content << "!       Tof-min(us)    step      Tof-max(us)" << std::endl;
+      content << "TOFRG   " << setw(10) << tofmin << setw(10) << tofstep << setw(10) << tofmax << std::endl;
+      content << "!       Zero   Dtt1" << std::endl;
+      content << "ZD2TOF     " << setw(10) << zero << setw(10) << dtt1 << std::endl;
+      content << "!       Zerot    Dtt1t       Dtt2t    x-cross    Width" << std::endl;
+      content << "ZD2TOT    " << setw(10) << zerot << setw(10) << dtt1t << setw(10) << dtt2t << setw(10) << xcross << setw(10) << width << std::endl;
+      content << "!     TOF-TWOTH of the bank" << std::endl;
+      content << "TWOTH    " << twotheta << std::endl;
+      content << "!       Sig-2     Sig-1     Sig-0" << std::endl;
+      content << "SIGMA  " << setw(10) << sig2 << setw(10) << sig1 << setw(10) << sig0 << std::endl;
+      content << "!       Gam-2     Gam-1     Gam-0" << std::endl;
+      content << "GAMMA  " << setw(10) << gam2 << setw(10) << gam1 << setw(10) << gam0 << std::endl;
+      content << "!          alph0       beta0       alph1       beta1" << std::endl;
+      content << "ALFBE        " << setw(10) << alph0 << setw(10) << beta0 << setw(10) << alph1 << setw(10) << beta1 << std::endl;
+      content << "!         alph0t      beta0t      alph1t      beta1t" << std::endl;
+      content << "ALFBT       " << setw(10) << alph0t << setw(10) << beta0t << setw(10) << alph1t << setw(10) << beta1t << std::endl;
+      content << "END" << std::endl;
+
+      return content.str();
+
+  }
+
+
+
+} // namespace DataHandling
+} // namespace Mantid

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

@@ -0,0 +1,30 @@
+#ifndef MANTID_DATAHANDLING_SAVEFullprofRESOLUTIONTEST_H_
+#define MANTID_DATAHANDLING_SAVEFullprofRESOLUTIONTEST_H_
+
+#include <cxxtest/TestSuite.h>
+
+#include "MantidDataHandling/SaveFullprofResolution.h"
+
+using Mantid::DataHandling::SaveFullprofResolution;
+
+class SaveFullprofResolutionTest : public CxxTest::TestSuite
+{
+public:
+  // This pair of boilerplate methods prevent the suite being created statically
+  // This means the constructor isn't called when running other tests
+  static SaveFullprofResolutionTest *createSuite() { return new SaveFullprofResolutionTest(); }
+  static void destroySuite( SaveFullprofResolutionTest *suite ) { delete suite; }
+
+
+  void test_Init()
+  {
+    Mantid::DataHandling::SaveFullprofResolution alg;
+    TS_ASSERT_THROWS_NOTHING(alg.initialize());
+    TS_ASSERT(alg.isInitialized());
+  }
+
+
+};
+
+
+#endif /* MANTID_DATAHANDLING_SAVEFullprofRESOLUTIONTEST_H_ */