Checkpointing work. Refs #6968.

Code/Mantid/Framework/Algorithms/inc/MantidAlgorithms/SaveGSASInstrumentFile.h

@@ -3,6 +3,7 @@
 
 #include "MantidKernel/System.h"
 #include "MantidAPI/Algorithm.h"
+#include "MantidDataObjects/TableWorkspace.h"
 
 namespace Mantid
 {
@@ -76,6 +77,9 @@ class DLLExport SaveGSASInstrumentFile : public API::Algorithm
   /// Execution code
   void exec();
 
+  /// Process properties
+  void processProperties();
+
   /// Set up some constant by default
   void initConstants(double chopperfrequency);
 
@@ -99,6 +103,8 @@ class DLLExport SaveGSASInstrumentFile : public API::Algorithm
   /// Caclualte L2 from DIFFC and L1
   double calL2FromDtt1(double difc, double L1, double twotheta);
 
+  /// Input workspace
+  DataObjects::TableWorkspace_sptr m_inpWS;
 
   /// Instrument
   std::string m_instrument;
@@ -109,12 +115,18 @@ class DLLExport SaveGSASInstrumentFile : public API::Algorithm
   /// 2Theta
   double m_2theta;
   /// Frequency
-  double m_frequency;
+  int m_frequency;
   /// User input ID line
   std::string m_id_line;
   /// Sample
   std::string m_sample;
 
+  /// Banks IDs to process
+  std::vector<unsigned int> m_bankIDsOutput;
+
+  /// Output file name
+  std::string m_gsasFileName;
+
 };
 
 /// Examine whether str1's last few characters are same as str2

Code/Mantid/Framework/Algorithms/src/SaveGSASInstrumentFile.cpp

@@ -26,6 +26,14 @@ There can be several types of Fullprof files as the input file
 */
 
 #include "MantidAlgorithms/SaveGSASInstrumentFile.h"
+#include "MantidAPI/FileProperty.h"
+#include "MantidKernel/ListValidator.h"
+#include "MantidKernel/ArrayProperty.h"
+
+using namespace Mantid;
+using namespace Mantid::API;
+using namespace Mantid::Kernel;
+using namespace Mantid::DataObjects;
 
 using namespace std;
 
@@ -55,56 +63,70 @@ namespace Algorithms
   //----------------------------------------------------------------------------------------------
   void SaveGSASInstrumentFile::initDocs()
   {
-    setWikiSummary("");
+    setWikiSummary("Save a instrument parameter table workspace to GSAS instrument file.");
     setOptionalMessage("");
   }
 
   //----------------------------------------------------------------------------------------------
+  /** Declare properties
+    */
   void SaveGSASInstrumentFile::init()
   {
-    /**
-      """ Set Property
-      """
-      instruments = ["PG3", "NOM", "VULCAN", "SNAP"]
-      frequencies = ["10", "30", "60"]
-
-      self.declareProperty("Instrument", "PG3", Validator=ListValidator(instruments),
-              Description="SNS Instrument Name")
-      self.declareFileProperty("InputFile", "", FileAction.Load, [".irf", ".pcr"],
-              Description="Resolution (Fullprof, .irf) file")
-      self.declareProperty("IDLine", "", Description="ID Line in output GSAS instrument file")
-      self.declareProperty("Sample", "", Description="Sample information written to header (title)")
-      self.declareListProperty("Banks", [1], Validator=ArrayBoundedValidator(Lower=0),
-              Description="Banks to be written into output file")
-      self.declareProperty("Frequency", "60", Validator=ListValidator(frequencies),
-              Description="Frequency of the instrument file corresponds to")
-      self.declareProperty("L1", -1.0)
-      self.declareProperty("L2", -1.0,
-              Description="Distance from sample to detector.  If 2Theta is given, this won't work. ")
-      self.declareProperty("2Theta", 1001.0,
-              Description="Angle of the detector bank.  It is to calculate L2 with given Dtt1")
-      self.declareFileProperty("OutputFile", "", FileAction.Save, [".iparm", ".prm"],
-              Description="Output .iparm or .prm file")
-    */
+    declareProperty(new WorkspaceProperty<TableWorkspace>("InputWorkspace", "", Direction::Input),
+                    "Name of the table workspace containing the parameters.  Usually it is generated by "
+                    "LoadFullprofResolution.");
+
+    vector<string> exts;
+    exts.push_back(".iparam");
+    exts.push_back(".prm");
+    auto fileprop = new FileProperty("OutputFileName", "", FileProperty::Save, exts);
+    declareProperty(fileprop, "Name of the output GSAS instrument file.");
+
+    declareProperty(new ArrayProperty<unsigned int>("BankIDs"), "Bank IDs of the banks to be written to GSAS instrument file.");
+
+
+    vector<string> instruments;
+    instruments.push_back("PG3");
+    instruments.push_back("NOM");
+    instruments.push_back("VULCAN");
+    // auto instrumentval = new ListValidator<string>(instruments);
+    declareProperty("Instrument", "PG3", boost::make_shared<StringListValidator>(instruments), "Name of the instrument that parameters are belonged to. ");
+
+    vector<int> vecfreq;
+    vecfreq.push_back(10);
+    vecfreq.push_back(30);
+    vecfreq.push_back(60);
+    ListValidator<int> freqva(vecfreq);
+    auto freqval = new ListValidator<int>(vecfreq);
+    declareProperty("ChopperFrequency", 60, boost::make_shared<ListValidator<int> >(freqval), "Frequency of the chopper. ");
+
+    declareProperty("IDLine", "", "ID line to be written in GSAS instrumetn file.");
+    declareProperty("Sample", "", "Name of the sample used to calibrate the instrument parameters. ");
+
+    declareProperty("L1", EMPTY_DBL(), "L1 (primary flight path) of the instrument. ");
+    declareProperty("L2", EMPTY_DBL(), "L2 (secondary flight path) of the insturment. ");
+    declareProperty("TwoTheta", EMPTY_DBL(), "Angle of the detector bank. ");
+
     return;
   }
 
-  //----------------------------------------------------------------------------------------------
-  void SaveGSASInstrumentFile::exec()
+  void SaveGSASInstrumentFile::processProperties()
   {
-    // Get properties    
+    m_inpWS = getProperty("InputWorkspace");
+
     m_instrument = getPropertyValue("Instrument");
     m_id_line = getPropertyValue("IDLine"); // Standard Run LB4844 Vanadium: 4866 J.P. Hodges 2011-09-01
     m_sample = getPropertyValue("Sample"); // titleline = "LaB6 NIST RT 4844[V=4866] 60Hz CW=.533"
 
-    string inputfilename = getProperty("InputFile");
-    string outputfilename = getProperty("OutputFile");
-    int banks = getProperty("Banks");
+    m_gsasFileName = getPropertyValue("OutputFileName");
+    m_bankIDsOutput = getProperty("BankIDs");
+
     m_L1 = getProperty("L1");
     m_2theta = getProperty("2Theta");
     m_L2 = getProperty("L2");
     m_frequency = getProperty("Frequency");
 
+#if 0
     // Process input
     bool useirf = false;
     string irffilename, pcrfilename;
@@ -117,6 +139,7 @@ namespace Algorithms
     {
       pcrfilename = inputfilename;
     }
+#endif
 
     // Set default value for L1
     if (m_L1 == EMPTY_DBL())
@@ -158,6 +181,16 @@ namespace Algorithms
       m_L2 = EMPTY_DBL();
     }
 
+  }
+
+  //----------------------------------------------------------------------------------------------
+  /** Main execution body
+    */
+  void SaveGSASInstrumentFile::exec()
+  {
+    // Process user specified properties
+    processProperties();
+
     // Execute
     initConstants(m_frequency);
 
@@ -266,7 +299,7 @@ namespace Algorithms
         cwlstr = "3.198";
         mndspstr = "0.10";
         mxdspstr = "12.36";
-        mxtofstr = "280.5";
+        maxtofstr = "280.5";
 
         break;