Implementing EditPowderdiffratomerGeometry.cpp. Refs #3599.

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

@@ -34,15 +34,21 @@ namespace Algorithms
     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 EditTOFPowderDiffractomerGeometry 
+  class DLLExport EditTOFPowderDiffractomerGeometry : public API::Algorithm
   {
   public:
     EditTOFPowderDiffractomerGeometry();
     ~EditTOFPowderDiffractomerGeometry();
+    virtual const std::string name() const { return "EditTOFPowderDiffractomerGeometry"; }
+    /// Algorithm's version for identification overriding a virtual method
+    virtual int version() const { return 1; }
     
   private:
     /// Sets documentation strings for this algorithm
     virtual void initDocs();
+    // virtual std::string name();
+    // virtual int version();
+
     /// Initialise the properties
     void init();
     /// Run the algorithm

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

 #include "MantidAlgorithms/EditTOFPowderDiffractomerGeometry.h"
 #include "MantidKernel/System.h"
+#include "MantidKernel/ArrayProperty.h"
 
 using namespace Mantid::Kernel;
 using namespace Mantid::API;
@@ -9,8 +10,9 @@ namespace Mantid
 namespace Algorithms
 {
 
+  DECLARE_ALGORITHM(EditTOFPowderDiffractomerGeometry);
 
-  //----------------------------------------------------------------------------------------------
+  //---------------------------------------------- ------------------------------------------------
   /** Constructor
    */
   EditTOFPowderDiffractomerGeometry::EditTOFPowderDiffractomerGeometry()
@@ -30,6 +32,8 @@ namespace Algorithms
   /// Sets documentation strings for this algorithm
   void EditTOFPowderDiffractomerGeometry::initDocs()
   {
+    this->setWikiSummary("Add and/or edit T.O.F. powder diffractomer instrument geometry information");
+    this->setOptionalMessage("The edit or added information will be attached to a Workspace.  Currently it is in an overwrite mode only.");
   }
 
   //----------------------------------------------------------------------------------------------
@@ -37,7 +41,15 @@ namespace Algorithms
    */
   void EditTOFPowderDiffractomerGeometry::init()
   {
-
+    declareProperty(new WorkspaceProperty<>("Workspace","",Direction::InOut));
+    declareProperty("Name", "");
+    declareProperty("PrimaryFlightPath", -1.0);
+    declareProperty(new ArrayProperty<int32_t>("DetectorIDs", new MandatoryValidator<std::vector<int32_t> >),
+        "Detector IDs.");
+    declareProperty(new ArrayProperty<double>("SecondaryFlightPaths", new MandatoryValidator<std::vector<double> >),
+        "Seconary flight paths for each detector");
+    declareProperty(new ArrayProperty<double>("TwoThetas", new MandatoryValidator<std::vector<double> >),
+        "Two thetas for all detectors");
   }
 
   //----------------------------------------------------------------------------------------------
@@ -46,7 +58,77 @@ namespace Algorithms
   void EditTOFPowderDiffractomerGeometry::exec()
   {
 
+    // 1. Get Input
+    MatrixWorkspace_sptr workspace = getProperty("Workspace");
+    std::string name = getProperty("Name");
+    double l1 = this->getProperty("PrimaryFlightPath");
+    const std::vector<int32_t> detectorids = this->getProperty("DetectorIDs");
+    const std::vector<double> l2s = this->getProperty("SecondaryFlightPaths");
+    const std::vector<double> tths = this->getProperty("TwoThetas");
+
+    // 2. Check validity
+    g_log.notice() << "L1 = " << l1 << "  # Detector = " << detectorids.size() << std::endl;
+    if (l1 <= 0){
+      throw std::invalid_argument("Primary flight path cannot be less or equal to 0");
+    }
+
+    if (detectorids.size() != l2s.size() || l2s.size() != tths.size()){
+      throw std::invalid_argument("Input Detector IDs, Secondary Flight Paths, and Two Thetas have different items number");
+    }
+
+    for (size_t ib = 0; ib < l2s.size(); ib ++){
+      g_log.information() << "Detector " << detectorids[ib] << "  L2 = " << l2s[ib] << "  2Theta = " << tths[ib] << std::endl;
+      if (detectorids[ib] < 0){
+        throw std::invalid_argument("Detector ID cannot be less than 0");
+      }
+      if (l2s[ib] <= 0.0){
+        throw std::invalid_argument("L2 cannot be less or equal to 0");
+      }
+    }
+
+    // 3. Generate a new instrument or use the old one
+    // a) Create a new instrument
+    if (name == ""){
+      name = "Generic";
+    }
+    Geometry::Instrument_sptr instrument(new Geometry::Instrument(name));
+    workspace->setInstrument(instrument);
+
+    // getBaseInstrument();
+    if (instrument.get() == 0)
+    {
+        g_log.error("Trying to use a Parametrized Instrument as an Instrument.");
+        throw std::runtime_error("Trying to use a Parametrized Instrument as an Instrument.");
+    }
+
+    // 3. Source and sample information
+    Geometry::ObjComponent *samplepos = new Geometry::ObjComponent("Sample", instrument.get());
+    instrument->add(samplepos);
+    instrument->markAsSamplePos(samplepos);
+    samplepos->setPos(0.0, 0.0, 0.0);
+
+    Geometry::ObjComponent *source = new Geometry::ObjComponent("Source", instrument.get());
+    instrument->add(source);
+    instrument->markAsSource(source);
+    source->setPos(0.0, 0.0, -1.0 * l1);
+
+    // 4. Add detector information
+    // Create a new detector. Instrument will take ownership of pointer so no need to delete.
+    for (size_t ib = 0; ib < detectorids.size(); ib ++){
+      Geometry::Detector *detector = new Geometry::Detector("det", detectorids[ib], samplepos);
+      Kernel::V3D pos;
+
+      double l2 = l2s[ib];
+      double tth = tths[ib];
+      pos.spherical(l2, tth, 0.0 );
+      detector->setPos(pos);
+
+      // add copy to instrument and mark it
+      instrument->add(detector);
+      instrument->markAsDetector(detector);
+    }
 
+    return;
   }
 
 } // namespace Mantid