IPeaksWorkspace.h

Go to the documentation of this file.

// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2011 ISIS Rutherford Appleton Laboratory UKRI,
//   NScD Oak Ridge National Laboratory, European Spallation Source,
//   Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
// SPDX - License - Identifier: GPL - 3.0 +
#pragma once
 
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
#include "MantidAPI/DllConfig.h"
#include "MantidAPI/ExperimentInfo.h"
#include "MantidAPI/IPeaksWorkspace_fwd.h"
#include "MantidAPI/ITableWorkspace.h"
#include "MantidKernel/ConfigService.h"
#include "MantidKernel/PropertyWithValue.h"
#include "MantidKernel/SpecialCoordinateSystem.h"
#include <optional>
 
namespace Mantid {
namespace Geometry {
class IPeak;
}
namespace API {
 
//==========================================================================================
class MANTID_API_DLL IPeaksWorkspace : public ITableWorkspace, public Mantid::API::ExperimentInfo {
public:
  IPeaksWorkspace()
      : ITableWorkspace(), ExperimentInfo(), m_convention(Kernel::ConfigService::Instance().getString("Q.convention")) {
  }
 
  IPeaksWorkspace_uptr clone() const { return IPeaksWorkspace_uptr(doClone()); }
  IPeaksWorkspace &operator=(const IPeaksWorkspace &other) = delete;
  //---------------------------------------------------------------------------------------------
  virtual int getNumberPeaks() const = 0;
 
  //---------------------------------------------------------------------------------------------
  virtual std::string getConvention() const = 0;
 
  //---------------------------------------------------------------------------------------------
  virtual void removePeak(int peakNum) = 0;
 
  virtual void removePeaks(std::vector<int> badPeaks) = 0;
 
  //---------------------------------------------------------------------------------------------
  virtual void addPeak(const Mantid::Geometry::IPeak &ipeak) = 0;
 
  //---------------------------------------------------------------------------------------------
  virtual void addPeak(const Kernel::V3D &position, const Kernel::SpecialCoordinateSystem &frame) = 0;
 
  //---------------------------------------------------------------------------------------------
  virtual Mantid::Geometry::IPeak &getPeak(size_t const peakNum) = 0;
 
  //---------------------------------------------------------------------------------------------
  virtual const Mantid::Geometry::IPeak &getPeak(size_t const peakNum) const = 0;
 
  //---------------------------------------------------------------------------------------------
  Mantid::Geometry::IPeak *getPeakPtr(size_t const peakNum) { return &this->getPeak(peakNum); }
 
  //---------------------------------------------------------------------------------------------
  virtual std::unique_ptr<Geometry::IPeak> createPeak(const Mantid::Kernel::V3D &QLabFrame,
                                                      std::optional<double> detectorDistance = std::nullopt) const = 0;
 
  //---------------------------------------------------------------------------------------------
  virtual std::unique_ptr<Mantid::Geometry::IPeak>
  createPeak(const Mantid::Kernel::V3D &position, const Mantid::Kernel::SpecialCoordinateSystem &frame) const = 0;
 
  //---------------------------------------------------------------------------------------------
  virtual std::unique_ptr<Mantid::Geometry::IPeak> createPeakQSample(const Mantid::Kernel::V3D &position) const = 0;
 
  virtual std::unique_ptr<Geometry::IPeak> createPeakHKL(const Mantid::Kernel::V3D &HKL) const = 0;
 
  virtual std::unique_ptr<Geometry::IPeak> createPeak() const = 0;
 
  //---------------------------------------------------------------------------------------------
  virtual bool hasIntegratedPeaks() const = 0;
 
  //---------------------------------------------------------------------------------------------
  virtual API::ITableWorkspace_sptr createDetectorTable() const = 0;
 
  //---------------------------------------------------------------------------------------------
  virtual void setCoordinateSystem(const Kernel::SpecialCoordinateSystem coordinateSystem) = 0;
  //---------------------------------------------------------------------------------------------
  virtual Kernel::SpecialCoordinateSystem getSpecialCoordinateSystem() const = 0;
 
  virtual std::vector<std::pair<std::string, std::string>> peakInfo(const Kernel::V3D &QFrame,
                                                                    bool labCoords) const = 0;
  virtual int peakInfoNumber(const Kernel::V3D &qLabFrame, bool labCoords) const = 0;
 
  //---------------------------------------------------------------------------------------------
  virtual void saveNexus(Nexus::File *file) const = 0;
 
  std::string m_convention;
 
protected:
  IPeaksWorkspace(const IPeaksWorkspace &) = default;
 
  const std::string toString() const override;
 
private:
  IPeaksWorkspace *doClone() const override = 0;
};
} // namespace API
} // namespace Mantid
 
// Instantiated and exported by API/src/PropertyWithValue.cpp
MANTID_API_EXTERN_TEMPLATE(Mantid::Kernel::PropertyWithValue<std::shared_ptr<Mantid::API::IPeaksWorkspace>>);