IPeaksWorkspace.h

#ifndef MANTID_API_IPEAKSPACE_H_
#define MANTID_API_IPEAKSPACE_H_ 1

//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/ExperimentInfo.h"
#include "MantidAPI/SpecialCoordinateSystem.h"

namespace Mantid
{

namespace API
{
  class IPeak;

  //==========================================================================================
  /** Interface to the 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 © 2011 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://github.com/mantidproject/mantid>
   */
  class MANTID_API_DLL IPeaksWorkspace: public ITableWorkspace, public Mantid::API::ExperimentInfo
  {
  public:

    /// Ctor
    IPeaksWorkspace()
    : ITableWorkspace(), ExperimentInfo()
    {}

    /// Copy constructor
    IPeaksWorkspace(const IPeaksWorkspace & other)
    : ITableWorkspace(other), ExperimentInfo(other)
    {}

    /// Destructor
    virtual ~IPeaksWorkspace();

    //boost::shared_ptr<IPeaksWorkspace> clone() = 0;
    //void appendFile( std::string filename, Mantid::Geometry::Instrument_sptr inst) = 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(int peakNum) = 0;

    //---------------------------------------------------------------------------------------------
    /** Add a peak to the list
     * @param ipeak :: 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(int peakNum) = 0;

    //---------------------------------------------------------------------------------------------
    /** Return a reference to the Peak (const version)
     * @param peakNum :: index of the peak to get.
     * @return a reference to a Peak object.
     */
    virtual const IPeak & getPeak(int peakNum) const = 0;

    //---------------------------------------------------------------------------------------------
    /** Return a pointer to the Peak
     * @param peakNum :: index of the peak to get.
     * @return a pointer to a Peak object.
     */
    IPeak * getPeakPtr(const int peakNum)
    { return &this->getPeak(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.
     */
    virtual IPeak* createPeak(Mantid::Kernel::V3D QLabFrame, double detectorDistance=1.0) const = 0;

    //---------------------------------------------------------------------------------------------
    /** Determine if the workspace has been integrated using a peaks integration algorithm.
     * @return TRUE if the workspace has been integrated. 
     */
    virtual bool hasIntegratedPeaks() const = 0;

    //---------------------------------------------------------------------------------------------
    /**
     * Creates a new TableWorkspace giving the IDs of the detectors that contribute to the
     * peak.
     * @returns A shared pointer to a TableWorkspace containing the information
     */
    virtual API::ITableWorkspace_sptr createDetectorTable() const = 0;

    //---------------------------------------------------------------------------------------------
    /**
     * Set the special coordinate system.
     * @param coordinateSystem : Special Q3D coordinate system to use.
     */
    virtual void setCoordinateSystem(const Mantid::API::SpecialCoordinateSystem coordinateSystem) = 0;

    //---------------------------------------------------------------------------------------------
    /**
     * Get the special coordinate system.
     * @returns special Q3D coordinate system to use being used by this PeaksWorkspace object. Probably the one the workspace was generated with.
     */
    virtual Mantid::API::SpecialCoordinateSystem getSpecialCoordinateSystem() const = 0;
    virtual std::vector<std::pair<std::string,std::string> > peakInfo(Kernel::V3D QFrame , bool labCoords) const = 0;
    virtual int peakInfoNumber(Kernel::V3D qLabFrame , bool labCoords) const =0;
  protected:
    virtual const std::string toString() const;
  };


  /// 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