refs #6865 merge with develop and resolve conflicts (again)

Merge branch 'feature/6856_ConvertToDiffractionMDWS_v2' into develop Conflicts: Code/Mantid/Framework/MDAlgorithms/src/ConvertToMD.cpp
mantidproject · May 30, 2013 · 1d94c2c · 1d94c2c
2 parents 06ac1d2 + 27045d9
commit 1d94c2c
Show file tree

Hide file tree

Showing 13 changed files with 672 additions and 69 deletions.
diff --git a/Code/Mantid/Framework/API/src/FrameworkManager.cpp b/Code/Mantid/Framework/API/src/FrameworkManager.cpp
@@ -277,16 +277,17 @@ IAlgorithm* FrameworkManagerImpl::exec(const std::string& algName, const std::st
  */
 IAlgorithm_sptr FrameworkManagerImpl::exec(const std::string& algorithmName, int count, ...)
 {
-  // Create the algorithm
+  if (count % 2 == 1)
+  {
+    throw std::runtime_error("Must have an even number of parameter/value string arguments");
+  }
+
+ // Create the algorithm
   IAlgorithm_sptr alg = AlgorithmManager::Instance().createUnmanaged(algorithmName, -1);
   alg->initialize();
   if (!alg->isInitialized())
     throw std::runtime_error(algorithmName + " was not initialized.");
 
-  if (count % 2 == 1)
-  {
-    throw std::runtime_error("Must have an even number of parameter/value string arguments");
-  }
 
   va_list Params;
   va_start(Params, count);

diff --git a/Code/Mantid/Framework/MDAlgorithms/CMakeLists.txt b/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

diff --git a/...DEvents/ConvertToDiffractionMDWorkspace.h → ...orithms/ConvertToDiffractionMDWorkspace.h b/...DEvents/ConvertToDiffractionMDWorkspace.h → ...orithms/ConvertToDiffractionMDWorkspace.h
@@ -11,13 +11,12 @@
 #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 MDEvents
+namespace MDAlgorithms
 {
 
   /** ConvertToDiffractionMDWorkspace :
@@ -26,11 +25,11 @@ namespace MDEvents
    * @author Janik Zikovsky, SNS
    * @date 2011-03-01 13:14:48.236513
    */
-  class DLLExport ConvertToDiffractionMDWorkspace  : public BoxControllerSettingsAlgorithm
+  class DLLExport ConvertToDiffractionMDWorkspace  : public MDEvents::BoxControllerSettingsAlgorithm
   {
   public:
     ConvertToDiffractionMDWorkspace();
-    ~ConvertToDiffractionMDWorkspace();
+    ~ConvertToDiffractionMDWorkspace(){};
 
     /// Algorithm's name for identification 
     virtual const std::string name() const { return "ConvertToDiffractionMDWorkspace";};

diff --git a/Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ConvertToDiffractionMDWorkspace2.h b/Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ConvertToDiffractionMDWorkspace2.h
@@ -0,0 +1,65 @@
+#ifndef MANTID_MDEVENTS_CONVERTTODIFFRACTIONMDWORKSPACE2_H_
+#define MANTID_MDEVENTS_CONVERTTODIFFRACTIONMDWORKSPACE2_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 "MantidMDAlgorithms/ConvertToMD.h"
+#include "MantidMDEvents/MDEventFactory.h"
+#include "MantidMDEvents/MDEventWorkspace.h"
+
+namespace Mantid
+{
+namespace MDAlgorithms
+{
+
+  /** ConvertToDiffractionMDWorkspace2 :
+   * Create a MDEventWorkspace with events in reciprocal space (Qx, Qy, Qz) from an input EventWorkspace.
+   *
+   * This is the wrapper for ConvertToMD algorithm transferring the properties of the old ConvertToDiffractionMDWorkspace into ConvertToMD properties 
+   * and running ConvertToMD as a subalgorithm. 
+   *  
+   * @date 2013-05-20 
+   */
+  class DLLExport ConvertToDiffractionMDWorkspace2  : public MDEvents::BoxControllerSettingsAlgorithm
+  {
+  public:
+    /** Constructor   */
+      ConvertToDiffractionMDWorkspace2(){};
+     /** Destructor   */
+    virtual ~ConvertToDiffractionMDWorkspace2(){};
+
+    /// Algorithm's name for identification 
+    virtual const std::string name() const { return "ConvertToDiffractionMDWorkspace";};
+    /// Algorithm's version for identification 
+    virtual int version() const { return 2;};
+    /// 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();
+
+    // the target frame names exposed as the algorithm properties and recognized by old convertToDiffractionWorkspace algorithm.
+    std::vector<std::string> frameOptions;
+  protected: // for testing
+    // method to convert the value of the target frame specified for the ConvertToDiffractionMDWorksapce  into the properties names of the ConvertToMD
+    void convertFramePropertyNames(const std::string &ConvToDifrWSPropName,std::string &TargFrameName,std::string & ScalingName);
+    // method to convert the extents specified for the ConvertToDiffractionMDWorksapce  into the min-max properties names of the ConvertToMD
+    void convertExtents(const std::vector<double> &Extents,std::vector<double> &minVal,std::vector<double> &maxVal)const;
+  };
+
+
+} // namespace Mantid
+} // namespace MDEvents
+
+#endif  /* MANTID_MDEVENTS_CONVERTTODIFFRACTIONMDWORKSPACE_H_ */
diff --git a/...s/src/ConvertToDiffractionMDWorkspace.cpp → ...s/src/ConvertToDiffractionMDWorkspace.cpp b/...s/src/ConvertToDiffractionMDWorkspace.cpp → ...s/src/ConvertToDiffractionMDWorkspace.cpp
@@ -71,7 +71,7 @@ to an [[EventWorkspace]] but with no events for empty bins.
 #include "MantidKernel/ProgressText.h"
 #include "MantidKernel/System.h"
 #include "MantidKernel/Timer.h"
-#include "MantidMDEvents/ConvertToDiffractionMDWorkspace.h"
+#include "MantidMDAlgorithms/ConvertToDiffractionMDWorkspace.h"
 #include "MantidMDEvents/MDEventFactory.h"
 #include "MantidMDEvents/MDEventWorkspace.h"
 #include "MantidAPI/MemoryManager.h"
@@ -85,7 +85,7 @@ using namespace Mantid::Geometry;
 
 namespace Mantid
 {
-namespace MDEvents
+namespace MDAlgorithms
 {
 
   bool DODEBUG = true;
@@ -109,11 +109,7 @@ namespace MDEvents
   }
 
   //----------------------------------------------------------------------------------------------
-  /** Destructor
-   */
-  ConvertToDiffractionMDWorkspace::~ConvertToDiffractionMDWorkspace()
-  {
-  }
+
 
 
   //----------------------------------------------------------------------------------------------
@@ -174,7 +170,7 @@ namespace MDEvents
 
 
   /// Our MDLeanEvent dimension
-  typedef MDLeanEvent<3> MDE;
+  typedef MDEvents::MDLeanEvent<3> MDE;
 
   //----------------------------------------------------------------------------------------------
   /** Convert one spectrum to MDEvents.
@@ -237,7 +233,7 @@ namespace MDEvents
   void ConvertToDiffractionMDWorkspace::convertEventList(int workspaceIndex, EventList & el)
   {
     size_t numEvents = el.getNumberEvents();
-    MDBoxBase<MDLeanEvent<3>,3> * box = ws->getBox();
+    MDEvents::MDBoxBase<MDEvents::MDLeanEvent<3>,3> * box = ws->getBox();
 
     // Get the position of the detector there.
     const std::set<detid_t>& detectors = el.getDetectorIDs();
@@ -392,7 +388,7 @@ namespace MDEvents
 
     // Try to get the output workspace
     IMDEventWorkspace_sptr i_out = getProperty("OutputWorkspace");
-    ws = boost::dynamic_pointer_cast<MDEventWorkspace<MDLeanEvent<3>,3> >( i_out );
+    ws = boost::dynamic_pointer_cast<MDEvents::MDEventWorkspace<MDEvents::MDLeanEvent<3>,3> >( i_out );
 
     // Initalize the matrix to 3x3 identity
     mat = Kernel::Matrix<double>(3,3, true);
@@ -447,8 +443,8 @@ namespace MDEvents
     {
       // Create an output workspace with 3 dimensions.
       size_t nd = 3;
-      i_out = MDEventFactory::CreateMDWorkspace(nd, "MDLeanEvent");
-      ws = boost::dynamic_pointer_cast<MDEventWorkspace3Lean>(i_out);
+      i_out = MDEvents::MDEventFactory::CreateMDWorkspace(nd, "MDLeanEvent");
+      ws = boost::dynamic_pointer_cast<MDEvents::MDEventWorkspace3Lean>(i_out);
 
       // ---------------- Get the extents -------------
       std::vector<double> extents = getProperty("Extents");