Some modifications to the PeaksWorkspace. Outputting Qx, Qy, and Qz to a...

Some modifications to the PeaksWorkspace. Outputting Qx, Qy, and Qz to a PeaksWorkspace from the instrument view. re #3173

Code/Mantid/Framework/API/CMakeLists.txt

@@ -33,7 +33,9 @@ set ( SRC_FILES
         src/IMDEventWorkspace.cpp
         src/IMDIterator.cpp
         src/IMDWorkspace.cpp
+        src/IPeak.cpp
         src/IPeakFunction.cpp
+        src/IPeaksWorkspace.cpp
         src/ITableWorkspace.cpp
         src/ImplicitFunctionParameterParserFactory.cpp
         src/ImplicitFunctionParserFactory.cpp
@@ -128,7 +130,9 @@ set ( INC_FILES
         inc/MantidAPI/IMDEventWorkspace.h
         inc/MantidAPI/IMDIterator.h
         inc/MantidAPI/IMDWorkspace.h
+        inc/MantidAPI/IPeak.h
         inc/MantidAPI/IPeakFunction.h
+        inc/MantidAPI/IPeaksWorkspace.h
         inc/MantidAPI/ITableWorkspace.h
         inc/MantidAPI/IWorkspaceProperty.h
         inc/MantidAPI/ImplicitFunction.h

Code/Mantid/Framework/API/inc/MantidAPI/IPeak.h

+#ifndef MANTID_API_IPEAK_H_
+#define MANTID_API_IPEAK_H_
+    
+#include "MantidAPI/DllConfig.h"
+#include "MantidGeometry/IInstrument.h"
+#include "MantidGeometry/Math/Matrix.h"
+#include "MantidGeometry/V3D.h"
+#include "MantidKernel/PhysicalConstants.h"
+//#include "MantidKernel/System.h"
+
+
+namespace Mantid
+{
+namespace API
+{
+
+  /** Structure describing a single-crystal peak
+   * 
+   * @author Janik Zikovsky
+   * @date 2011-04-15 13:24:07.963491
+   */
+  class MANTID_API_DLL IPeak
+  {
+  public:
+
+    virtual ~IPeak();
+
+    virtual void setInstrument(Mantid::Geometry::IInstrument_const_sptr inst) = 0;
+
+    virtual int getDetectorID() const = 0;
+    virtual void setDetectorID(int m_DetectorID) = 0;
+    virtual Mantid::Geometry::IDetector_const_sptr getDetector() const = 0;
+    virtual Mantid::Geometry::IInstrument_const_sptr getInstrument() const = 0;
+
+    virtual int getRunNumber() const = 0;
+    virtual void setRunNumber(int m_RunNumber) = 0;
+
+    virtual double getH() const = 0;
+    virtual double getK() const = 0;
+    virtual double getL() const = 0;
+    virtual Mantid::Geometry::V3D getHKL() = 0;
+    virtual void setH(double m_H) = 0;
+    virtual void setK(double m_K) = 0;
+    virtual void setL(double m_L) = 0;
+    virtual void setHKL(double H, double K, double L) = 0;
+    virtual void setHKL(Mantid::Geometry::V3D HKL) = 0;
+
+    virtual Mantid::Geometry::V3D getQLabFrame() const = 0;
+    virtual Mantid::Geometry::V3D getQSampleFrame() const = 0;
+
+    virtual void setQSampleFrame(Mantid::Geometry::V3D QSampleFrame, double detectorDistance=1.0) = 0;
+    virtual void setQLabFrame(Mantid::Geometry::V3D QLabFrame, double detectorDistance=1.0) = 0;
+
+    virtual void setWavelength(double wavelength) = 0;
+    virtual double getWavelength() const = 0;
+    virtual double getDSpacing() const = 0;
+    virtual double getTOF() const = 0;
+
+    virtual double getInitialEnergy() const = 0;
+    virtual double getFinalEnergy() const = 0;
+    virtual void setInitialEnergy(double m_InitialEnergy) = 0;
+    virtual void setFinalEnergy(double m_FinalEnergy) = 0;
+
+    virtual double getIntensity() const = 0;
+    virtual double getSigmaIntensity() const = 0;
+
+    virtual void setIntensity(double m_Intensity) = 0;
+    virtual void setSigmaIntensity(double m_SigmaIntensity) = 0;
+
+    virtual double getBinCount() const = 0;
+    virtual void setBinCount(double m_BinCount) = 0;
+
+    virtual Mantid::Geometry::Matrix<double> getGoniometerMatrix() const = 0;
+    virtual void setGoniometerMatrix(Mantid::Geometry::Matrix<double> m_GoniometerMatrix) = 0;
+
+    virtual std::string getBankName() const = 0;
+    virtual int getRow() const = 0;
+    virtual int getCol() const = 0;
+
+    virtual Mantid::Geometry::V3D getDetPos() const = 0;
+    virtual double getL1() const = 0;
+    virtual double getL2() const = 0;
+
+  };
+
+
+} // namespace Mantid
+} // namespace API
+
+#endif  /* MANTID_API_IPEAK_H_ */

Code/Mantid/Framework/API/inc/MantidAPI/IPeaksWorkspace.h

+#ifndef MANTID_API_IPEAKSPACE_H_
+#define MANTID_API_IPEAKSPACE_H_ 1
+
+//----------------------------------------------------------------------
+// Includes
+//----------------------------------------------------------------------
+#include "MantidAPI/ITableWorkspace.h"
+#include "MantidAPI/IPeak.h"
+
+//IsamplePosition should be IsampleOrientation
+namespace Mantid
+{
+
+namespace API
+{
+  //==========================================================================================
+  /** @class Mantid::DataObjects::PeaksWorkspace
+
+     The class PeaksWorkspace stores information about a set of SCD peaks.
+
+      @author Ruth Mikkelson, SNS ORNL
+      @date 3/10/2010
+
+      Copyright © 2010 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>
+   */
+  class MANTID_API_DLL IPeaksWorkspace: public ITableWorkspace
+  {
+  public:
+
+    virtual ~IPeaksWorkspace();
+
+    //boost::shared_ptr<IPeaksWorkspace> clone() = 0;
+    //void appendFile( std::string filename, Mantid::Geometry::IInstrument_sptr inst) = 0;
+
+    /** Sets the default instrument for new peaks */
+    virtual void setInstrument(Mantid::Geometry::IInstrument_const_sptr inst) = 0;
+
+    /** Returns the default instrument for new peaks */
+    virtual Mantid::Geometry::IInstrument_const_sptr getInstrument() const = 0;
+
+    //---------------------------------------------------------------------------------------------
+    /** @return the number of peaks
+     */
+    virtual int getNumberPeaks() const = 0;
+
+    //---------------------------------------------------------------------------------------------
+    /** Removes the indicated peak
+     * @param peakNum  the peak to remove. peakNum starts at 0
+     */
+    virtual void removePeak(const int peakNum) = 0;
+
+    //---------------------------------------------------------------------------------------------
+    /** Add a peak to the list
+     * @param peak :: Peak object to add (copy) into this.
+     */
+    virtual void addPeak(const IPeak& ipeak) = 0;
+
+    //---------------------------------------------------------------------------------------------
+    /** Return a reference to the Peak
+     * @param peakNum :: index of the peak to get.
+     * @return a reference to a Peak object.
+     */
+    virtual IPeak & getPeak(const int peakNum) = 0;
+
+    //---------------------------------------------------------------------------------------------
+    /** Create an instance of a Peak
+     * @param QLabFrame :: Q of the center of the peak, in reciprocal space
+     * @param detectorDistance :: distance between the sample and the detector.
+     * @return a pointer to a new Peak object.
+     */
+    virtual IPeak* createPeak(Mantid::Geometry::V3D QLabFrame, double detectorDistance=1.0) = 0;
+
+  };
+
+
+  /// Typedef for a shared pointer to a peaks workspace.
+  typedef boost::shared_ptr<IPeaksWorkspace> IPeaksWorkspace_sptr;
+
+  /// Typedef for a shared pointer to a const peaks workspace.
+  typedef boost::shared_ptr<const IPeaksWorkspace> IPeaksWorkspace_const_sptr;
+
+}
+}
+#endif
+
+
+
+
+

Code/Mantid/Framework/API/inc/MantidAPI/WorkspaceFactory.h

@@ -22,6 +22,7 @@
 #include "MantidAPI/MatrixWorkspace.h"
 #include "MantidAPI/IMDWorkspace.h"
 #include "MantidAPI/ITableWorkspace.h"
+#include "MantidAPI/IPeaksWorkspace.h"
 #include "MantidGeometry/MDGeometry/MDGeometryDescription.h"
 namespace Mantid
 {
@@ -79,6 +80,9 @@ public:
   /// Create a ITableWorkspace
   ITableWorkspace_sptr createTable(const std::string& className = "TableWorkspace") const;
 
+  /// Create a IPeaksWorkspace
+  IPeaksWorkspace_sptr createPeaks(const std::string& className = "PeaksWorkspace") const;
+
 private:
   friend struct Mantid::Kernel::CreateUsingNew<WorkspaceFactoryImpl>;
 

Code/Mantid/Framework/API/src/IPeak.cpp

+//----------------------------------------------------------------------
+// Includes
+//----------------------------------------------------------------------
+#include "MantidAPI/IPeak.h"
+
+namespace Mantid
+{
+namespace API
+{
+
+using namespace Kernel;
+
+IPeak::~IPeak() {}
+
+
+} //API namespace
+
+} //Mantid namespace
+

Code/Mantid/Framework/API/src/IPeaksWorkspace.cpp

+//----------------------------------------------------------------------
+// Includes
+//----------------------------------------------------------------------
+#include "MantidAPI/IPeaksWorkspace.h"
+
+namespace Mantid
+{
+namespace API
+{
+
+using namespace Kernel;
+
+IPeaksWorkspace::~IPeaksWorkspace() {}
+
+
+} //API namespace
+
+} //Mantid namespace
+

Code/Mantid/Framework/API/src/WorkspaceFactory.cpp

@@ -232,6 +232,28 @@ ITableWorkspace_sptr WorkspaceFactoryImpl::createTable(const std::string& classN
     return ws;
 }
 
+/// Create a IPeaksWorkspace
+IPeaksWorkspace_sptr WorkspaceFactoryImpl::createPeaks(const std::string& className) const
+{
+    IPeaksWorkspace_sptr ws;
+    try
+    {
+        ws = boost::dynamic_pointer_cast<IPeaksWorkspace>(this->create(className));    
+        if (!ws)
+        {
+            //g_log.error("Class "+className+" cannot be cast to IPeaksWorkspace");
+            throw std::runtime_error("Class "+className+" cannot be cast to IPeaksWorkspace");
+        }
+    }
+    catch(Kernel::Exception::NotFoundError& e)
+    {
+        g_log.error(e.what());
+        throw;
+    }
+    return ws;
+}
+
+
  /// this create method is currently used to build MD workspaces from MD workspaces, but may be used to build MD workspaces from matrix workspaces in a future;
 /*
 IMDWorkspace_sptr 

Code/Mantid/Framework/Crystal/src/LoadPeaksFile.cpp

@@ -223,11 +223,11 @@ namespace Crystal
     lastStr = getWord( in , false );
 
     // Find the detector ID from row/col
-    IInstrument_sptr inst = outWS->getInstrument();
+    IInstrument_const_sptr inst = outWS->getInstrument();
     if (!inst) throw std::runtime_error("No instrument in PeaksWorkspace!");
-    IComponent_sptr bank = inst->getComponentByName(bankName);
+    IComponent_const_sptr bank = inst->getComponentByName(bankName);
     if (!bank) throw std::runtime_error("Bank named " + bankName + " not found!");
-    RectangularDetector_sptr rect = boost::dynamic_pointer_cast<RectangularDetector>(bank);
+    RectangularDetector_const_sptr rect = boost::dynamic_pointer_cast<const RectangularDetector>(bank);
     if (!rect) throw std::runtime_error("Bank named " + bankName + " is not a RectangularDetector!");
     IDetector_sptr det = rect->getAtXY(int(col), int(row));
     if (!det) throw std::runtime_error("Detector not found on " + bankName + "!");

Code/Mantid/Framework/Crystal/src/PredictPeaks.cpp

@@ -266,7 +266,7 @@ namespace Crystal
       {
         PARALLEL_START_INTERUPT_REGION
 
-        Peak & p = HKLPeaksWorkspace->getPeak(i);
+        IPeak & p = HKLPeaksWorkspace->getPeak(i);
         doHKL(int(p.getH()), int(p.getK()), int(p.getL()));
 
         PARALLEL_END_INTERUPT_REGION

Code/Mantid/Framework/Crystal/src/SaveIsawPeaks.cpp

@@ -78,7 +78,7 @@ namespace Crystal
 
     std::ofstream out( filename.c_str() );
 
-    IInstrument_sptr inst = ws->getInstrument();
+    IInstrument_const_sptr inst = ws->getInstrument();
     double l1; V3D beamline; double beamline_norm; V3D samplePos;
     inst->getInstrumentParameters(l1, beamline, beamline_norm, samplePos);
 
@@ -145,8 +145,7 @@ namespace Crystal
         mess << "bank" << bank;
         std::string bankName = mess.str();
         // Retrieve it
-        RectangularDetector_sptr det;
-        det = boost::dynamic_pointer_cast<RectangularDetector>(inst->getComponentByName(bankName));
+        RectangularDetector_const_sptr det = boost::dynamic_pointer_cast<const RectangularDetector>(inst->getComponentByName(bankName));
         if (det)
         {
           // Center of the detector

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

@@ -4,6 +4,7 @@
 #include "MantidDataHandling/DeleteTableRows.h"
 #include "MantidAPI/IWorkspaceProperty.h"
 #include "MantidAPI/ITableWorkspace.h"
+#include "MantidAPI/IPeaksWorkspace.h"
 #include "MantidKernel/ArrayProperty.h"
 
 #include <set>
@@ -41,13 +42,22 @@ namespace Mantid
     void DeleteTableRows::exec()
     {
       API::ITableWorkspace_sptr tw = getProperty("TableWorkspace");
+      API::IPeaksWorkspace_sptr pw = boost::dynamic_pointer_cast<API::IPeaksWorkspace>(tw);
       std::vector<size_t> rows = getProperty("Rows");
       // sort the row indices in reverse order
       std::set<size_t,std::greater<size_t> > sortedRows(rows.begin(),rows.end());
       std::set<size_t,std::greater<size_t> >::iterator it = sortedRows.begin();
       for(; it != sortedRows.end(); ++it)
       {
-        tw->removeRow(static_cast<int>(*it));
+        int i = static_cast<int>(*it);
+        if (pw)
+        {
+          pw->removePeak(i);
+        }
+        else
+        {
+          tw->removeRow(i);
+        }
       }
       setProperty("TableWorkspace",tw);
     }

Code/Mantid/Framework/DataObjects/inc/MantidDataObjects/Peak.h

 #ifndef MANTID_DATAOBJECTS_PEAK_H_
 #define MANTID_DATAOBJECTS_PEAK_H_
-    
+
+#include "MantidAPI/IPeak.h"
 #include "MantidGeometry/IInstrument.h"
 #include "MantidGeometry/Math/Matrix.h"
 #include "MantidGeometry/V3D.h"
@@ -18,28 +19,29 @@ namespace DataObjects
    * @author Janik Zikovsky
    * @date 2011-04-15 13:24:07.963491
    */
-  class DLLExport Peak
+  class DLLExport Peak: public API::IPeak
   {
   public:
     /// Allow PeakColumn class to directly access members.
     friend class PeakColumn;
 
-    Peak(Mantid::Geometry::IInstrument_sptr m_inst, Mantid::Geometry::V3D QSampleFrame, double detectorDistance=1.0);
-    Peak(Mantid::Geometry::IInstrument_sptr m_inst, Mantid::Geometry::V3D QSampleFrame, Mantid::Geometry::Matrix<double> goniometer, double detectorDistance=1.0);
-    Peak(Mantid::Geometry::IInstrument_sptr m_inst, int m_DetectorID, double m_Wavelength);
-    Peak(Mantid::Geometry::IInstrument_sptr m_inst, int m_DetectorID, double m_Wavelength, Mantid::Geometry::V3D HKL);
-    Peak(Mantid::Geometry::IInstrument_sptr m_inst, int m_DetectorID, double m_Wavelength, Mantid::Geometry::V3D HKL, Mantid::Geometry::Matrix<double> goniometer);
+    Peak(Mantid::Geometry::IInstrument_const_sptr m_inst, Mantid::Geometry::V3D QSampleFrame, double detectorDistance=1.0);
+    Peak(Mantid::Geometry::IInstrument_const_sptr m_inst, Mantid::Geometry::V3D QSampleFrame, Mantid::Geometry::Matrix<double> goniometer, double detectorDistance=1.0);
+    Peak(Mantid::Geometry::IInstrument_const_sptr m_inst, int m_DetectorID, double m_Wavelength);
+    Peak(Mantid::Geometry::IInstrument_const_sptr m_inst, int m_DetectorID, double m_Wavelength, Mantid::Geometry::V3D HKL);
+    Peak(Mantid::Geometry::IInstrument_const_sptr m_inst, int m_DetectorID, double m_Wavelength, Mantid::Geometry::V3D HKL, Mantid::Geometry::Matrix<double> goniometer);
 
     // Copy constructor is compiler-provided.
     //    Peak(const Peak & other);
+    Peak(const API::IPeak & ipeak);
     virtual ~Peak();
 
-    void setInstrument(Mantid::Geometry::IInstrument_sptr inst);
+    void setInstrument(Mantid::Geometry::IInstrument_const_sptr inst);
 
     int getDetectorID() const;
     void setDetectorID(int m_DetectorID);
-    Mantid::Geometry::IDetector_sptr getDetector() const;
-    Mantid::Geometry::IInstrument_sptr getInstrument() const;
+    Mantid::Geometry::IDetector_const_sptr getDetector() const;
+    Mantid::Geometry::IInstrument_const_sptr getInstrument() const;
 
     int getRunNumber() const;
     void setRunNumber(int m_RunNumber);
@@ -92,10 +94,10 @@ namespace DataObjects
 
   protected:
     /// Shared pointer to the instrument (for calculating some values )
-    Mantid::Geometry::IInstrument_sptr m_inst;
+    Mantid::Geometry::IInstrument_const_sptr m_inst;
 
     /// Detector pointed to
-    Mantid::Geometry::IDetector_sptr m_det;
+    Mantid::Geometry::IDetector_const_sptr m_det;
 
     /// Name of the parent bank
     std::string m_BankName;

Code/Mantid/Framework/DataObjects/inc/MantidDataObjects/PeaksWorkspace.h

@@ -4,7 +4,7 @@
 //----------------------------------------------------------------------
 // Includes
 //----------------------------------------------------------------------
-#include "MantidAPI/ITableWorkspace.h"
+#include "MantidAPI/IPeaksWorkspace.h"
 #include "MantidAPI/TableRow.h"
 #include "MantidAPI/Column.h"
 #include "MantidDataObjects/TableWorkspace.h"
@@ -31,6 +31,8 @@ namespace Kernel
 class Logger;
 }
 
+using namespace API;
+
 namespace DataObjects
 {
   //==========================================================================================
@@ -60,7 +62,7 @@ namespace DataObjects
 
       File change history is stored at: <https://svn.mantidproject.org/mantid/trunk/Code/Mantid>
    */
-  class DLLExport PeaksWorkspace: public Mantid::API::ITableWorkspace
+  class DLLExport PeaksWorkspace: public Mantid::API::IPeaksWorkspace
   {
   public:
 
@@ -77,11 +79,11 @@ namespace DataObjects
     void appendFile( std::string filename, Mantid::Geometry::IInstrument_sptr inst);
 
     /** Sets the default instrument for new peaks */
-    void setInstrument(Mantid::Geometry::IInstrument_sptr inst)
+    void setInstrument(Mantid::Geometry::IInstrument_const_sptr inst)
     { m_defaultInst = inst; }
 
     /** Returns the default instrument for new peaks */
-    Mantid::Geometry::IInstrument_sptr getInstrument()
+    Mantid::Geometry::IInstrument_const_sptr getInstrument() const
     { return m_defaultInst; }
 
     //---------------------------------------------------------------------------------------------
@@ -106,9 +108,9 @@ namespace DataObjects
     /** Add a peak to the list
      * @param peak :: Peak object to add (copy) into this.
      */
-    void addPeak(const Peak peak)
+    void addPeak(const IPeak& ipeak)
     {
-      peaks.push_back(peak);
+      peaks.push_back(Peak(ipeak));
     }
 
     //---------------------------------------------------------------------------------------------
@@ -116,12 +118,23 @@ namespace DataObjects
      * @param peakNum :: index of the peak to get.
      * @return a reference to a Peak object.
      */
-    Peak & getPeak(const int peakNum)
+    IPeak & getPeak(const int peakNum)
     {
       if (peakNum >= static_cast<int>(peaks.size()) || peakNum < 0 ) throw std::invalid_argument("PeaksWorkspace::getPeak(): peakNum is out of range.");
       return peaks[peakNum];
     }
 
+    //---------------------------------------------------------------------------------------------
+    /** Create an instance of a Peak
+     * @param QLabFrame :: Q of the center of the peak, in reciprocal space
+     * @param detectorDistance :: distance between the sample and the detector.
+     * @return a pointer to a new Peak object.
+     */
+    IPeak* createPeak(Mantid::Geometry::V3D QLabFrame, double detectorDistance=1.0)
+    {
+      return new Peak(getInstrument(),QLabFrame,detectorDistance);
+    }
+
     //---------------------------------------------------------------------------------------------
     /** Return a reference to the Peaks vector */
     std::vector<Peak> & getPeaks()
@@ -176,7 +189,7 @@ namespace DataObjects
     std::vector<Peak> peaks;
 
     /// Default instrument for new peaks
-    Mantid::Geometry::IInstrument_sptr m_defaultInst;
+    Mantid::Geometry::IInstrument_const_sptr m_defaultInst;
 
     /** Column shared pointers. */
     std::vector<boost::shared_ptr<Mantid::DataObjects::PeakColumn> > columns;

Code/Mantid/Framework/DataObjects/src/Peak.cpp

@@ -21,7 +21,7 @@ namespace DataObjects
    * @param detectorDistance :: distance between the sample and the detector.
    *        Used to give a valid TOF. Default 1.0 meters.
    */
-  Peak::Peak(Mantid::Geometry::IInstrument_sptr m_inst, Mantid::Geometry::V3D QLabFrame, double detectorDistance)
+  Peak::Peak(Mantid::Geometry::IInstrument_const_sptr m_inst, Mantid::Geometry::V3D QLabFrame, double detectorDistance)
   : m_H(0), m_K(0), m_L(0),
     m_Intensity(0), m_SigmaIntensity(0), m_BinCount(0),
     m_GoniometerMatrix(3,3,true),
@@ -44,7 +44,7 @@ namespace DataObjects
    * @param detectorDistance :: distance between the sample and the detector.
    *        Used to give a valid TOF. Default 1.0 meters.
    */
-  Peak::Peak(Mantid::Geometry::IInstrument_sptr m_inst, Mantid::Geometry::V3D QSampleFrame,
+  Peak::Peak(Mantid::Geometry::IInstrument_const_sptr m_inst, Mantid::Geometry::V3D QSampleFrame,
       Mantid::Geometry::Matrix<double> goniometer, double detectorDistance)
   : m_H(0), m_K(0), m_L(0),
     m_Intensity(0), m_SigmaIntensity(0), m_BinCount(0),
@@ -67,7 +67,7 @@ namespace DataObjects
    * @param m_Wavelength :: incident neutron wavelength, in Angstroms
    * @return
    */
-  Peak::Peak(Mantid::Geometry::IInstrument_sptr m_inst, int m_DetectorID, double m_Wavelength)
+  Peak::Peak(Mantid::Geometry::IInstrument_const_sptr m_inst, int m_DetectorID, double m_Wavelength)
   : m_H(0), m_K(0), m_L(0),
     m_Intensity(0), m_SigmaIntensity(0), m_BinCount(0),
     m_GoniometerMatrix(3,3,true),
@@ -89,7 +89,7 @@ namespace DataObjects
    * @param HKL :: vector with H,K,L position of the peak
    * @return
    */
-  Peak::Peak(Mantid::Geometry::IInstrument_sptr m_inst, int m_DetectorID, double m_Wavelength, Mantid::Geometry::V3D HKL)
+  Peak::Peak(Mantid::Geometry::IInstrument_const_sptr m_inst, int m_DetectorID, double m_Wavelength, Mantid::Geometry::V3D HKL)
   : m_H(HKL[0]), m_K(HKL[1]), m_L(HKL[2]),
     m_Intensity(0), m_SigmaIntensity(0), m_BinCount(0),
     m_GoniometerMatrix(3,3,true),
@@ -111,7 +111,7 @@ namespace DataObjects
    * @param goniometer :: a 3x3 rotation matrix
    * @return
    */
-  Peak::Peak(Mantid::Geometry::IInstrument_sptr m_inst, int m_DetectorID, double m_Wavelength, Mantid::Geometry::V3D HKL, Mantid::Geometry::Matrix<double> goniometer) :
+  Peak::Peak(Mantid::Geometry::IInstrument_const_sptr m_inst, int m_DetectorID, double m_Wavelength, Mantid::Geometry::V3D HKL, Mantid::Geometry::Matrix<double> goniometer) :
     m_H(HKL[0]), m_K(HKL[1]), m_L(HKL[2]),
     m_Intensity(0), m_SigmaIntensity(0), m_BinCount(0),
     m_GoniometerMatrix(goniometer),
@@ -124,7 +124,29 @@ namespace DataObjects
     this->setWavelength(m_Wavelength);
   }
 
-
+  //----------------------------------------------------------------------------------------------
+  /** Constructor making a Peak from IPeak interface
+   *
+   * @param ipeak :: const reference to an IPeak object
+   * @return
+   */
+  Peak::Peak(const API::IPeak & ipeak):
+  m_H(ipeak.getH()),
+  m_K(ipeak.getK()),
+  m_L(ipeak.getL()),
+  m_Intensity(ipeak.getIntensity()),
+  m_SigmaIntensity(ipeak.getSigmaIntensity()),
+  m_BinCount(ipeak.getBinCount()),
+  m_InitialEnergy(ipeak.getInitialEnergy()),
+  m_FinalEnergy(ipeak.getFinalEnergy()),