refs #6856 Copied ConvertToDiffractionMDWorkspace.cpp

into MD algorithms

Code/Mantid/Framework/MDAlgorithms/CMakeLists.txt

@@ -12,6 +12,8 @@ set ( SRC_FILES
 	src/CloneMDWorkspace.cpp
 	src/CompareMDWorkspaces.cpp
 	src/ConvertToDetectorFaceMD.cpp
+	src/ConvertToDiffractionMDWorkspace.cpp    
+#	src/ConvertToDiffractionMDWorkspace2.cpp        
 	src/ConvertToMD.cpp
 	src/CreateMDHistoWorkspace.cpp
 	src/CreateMDWorkspace.cpp
@@ -79,6 +81,8 @@ set ( INC_FILES
 	inc/MantidMDAlgorithms/CloneMDWorkspace.h
 	inc/MantidMDAlgorithms/CompareMDWorkspaces.h
 	inc/MantidMDAlgorithms/ConvertToDetectorFaceMD.h
+	inc/MantidMDAlgorithms/ConvertToDiffractionMDWorkspace.h    
+#	inc/MantidMDAlgorithms/ConvertToDiffractionMDWorkspace2.h        
 	inc/MantidMDAlgorithms/ConvertToMD.h
 	inc/MantidMDAlgorithms/CreateMDHistoWorkspace.h
 	inc/MantidMDAlgorithms/CreateMDWorkspace.h
@@ -148,6 +152,8 @@ set ( TEST_FILES
 	CompareMDWorkspacesTest.h
 	ConvertEventsToMDTest.h
 	ConvertToDetectorFaceMDTest.h
+	ConvertToDiffractionMDWorkspaceTest.h    
+#	ConvertToDiffractionMDWorkspace2Test.h        
 	ConvertToMDComponentsTest.h
 	ConvertToMDTest.h
 	ConvertToQ3DdETest.h

Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ConvertToDiffractionMDWorkspace.h

@@ -0,0 +1,100 @@
+#ifndef MANTID_MDEVENTS_CONVERTTODIFFRACTIONMDWORKSPACE_H_
+#define MANTID_MDEVENTS_CONVERTTODIFFRACTIONMDWORKSPACE_H_
+
+#include "MantidAPI/Algorithm.h" 
+#include "MantidAPI/IMDEventWorkspace.h"
+#include "MantidAPI/Progress.h"
+#include "MantidDataObjects/EventWorkspace.h"
+#include "MantidKernel/PhysicalConstants.h"
+#include "MantidKernel/ProgressBase.h"
+#include "MantidKernel/ProgressText.h"
+#include "MantidKernel/System.h"
+#include "MantidKernel/V3D.h"
+#include "MantidMDEvents/BoxControllerSettingsAlgorithm.h"
+#include "MantidMDEvents/ConvertToDiffractionMDWorkspace.h"
+#include "MantidMDEvents/MDEventFactory.h"
+#include "MantidMDEvents/MDEventWorkspace.h"
+
+namespace Mantid
+{
+namespace MDAlgorithms
+{
+
+  /** ConvertToDiffractionMDWorkspace :
+   * Create a MDEventWorkspace with events in reciprocal space (Qx, Qy, Qz) from an input EventWorkspace.
+   * 
+   * @author Janik Zikovsky, SNS
+   * @date 2011-03-01 13:14:48.236513
+   */
+  class DLLExport ConvertToDiffractionMDWorkspace  : public BoxControllerSettingsAlgorithm
+  {
+  public:
+    ConvertToDiffractionMDWorkspace();
+    ~ConvertToDiffractionMDWorkspace();
+
+    /// Algorithm's name for identification 
+    virtual const std::string name() const { return "ConvertToDiffractionMDWorkspace";};
+    /// Algorithm's version for identification 
+    virtual int version() const { return 1;};
+    /// Algorithm's category for identification
+    virtual const std::string category() const { return "MDAlgorithms";}
+
+  private:
+    /// Sets documentation strings for this algorithm
+    virtual void initDocs();
+    void init();
+    void exec();
+
+    template <class T>
+    void convertEventList(int workspaceIndex, DataObjects::EventList & el);
+
+    void convertSpectrum(int workspaceIndex);
+
+    /// The input MatrixWorkspace
+    API::MatrixWorkspace_sptr m_inWS;
+
+    /// The input event workspace
+    DataObjects::EventWorkspace_sptr m_inEventWS;
+
+    /// The output MDEventWorkspace<3>
+    MDEvents::MDEventWorkspace3Lean::sptr ws;
+    /// Do we clear events on the input during loading?
+    bool ClearInputWorkspace;
+    /// Use the histogram representation with one event per bin
+    bool OneEventPerBin;
+    /// Are we appending?
+    bool Append;
+    /// Perform LorentzCorrection on the fly.
+    bool LorentzCorrection;
+    /// Map of all the detectors in the instrument
+    detid2det_map allDetectors;
+    /// Primary flight path (source to sample)
+    double l1;
+    /// Beam direction and length
+    Kernel::V3D beamline;
+    /// Path length between source and sample
+    double beamline_norm;
+    /// Path length between source and sample
+    size_t failedDetectorLookupCount;
+    /// Beam direction (unit vector)
+    Kernel::V3D beamDir;
+    /// Sample position
+    Kernel::V3D samplePos;
+    /// Progress reporter (shared)
+    boost::shared_ptr<Kernel::ProgressBase> prog;
+    /// Matrix. Multiply this by the lab frame Qx, Qy, Qz to get the desired Q or HKL.
+    Kernel::Matrix<double> mat;
+
+    /// Minimum extents of the workspace. Cached for speed
+    coord_t * m_extentsMin;
+    /// Maximum extents of the workspace. Cached for speed
+    coord_t * m_extentsMax;
+
+
+  };
+
+
+} // namespace Mantid
+} // namespace MDEvents
+
+#endif  /* MANTID_MDEVENTS_CONVERTTODIFFRACTIONMDWORKSPACE_H_ */