Peak.h

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2018 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
 
#include "MantidDataObjects/BasePeak.h"
#include "MantidDataObjects/LeanElasticPeak.h"
#include "MantidGeometry/Crystal/IPeak.h"
#include "MantidGeometry/Instrument.h"
#include "MantidKernel/Logger.h"
#include "MantidKernel/Matrix.h"
#include "MantidKernel/PhysicalConstants.h"
#include "MantidKernel/V3D.h"
#include <memory>
#include <optional>
 
namespace Mantid {
 
namespace Geometry {
class InstrumentRayTracer;
}
 
namespace DataObjects {
 
class MANTID_DATAOBJECTS_DLL Peak : public BasePeak {
public:
  // TODO: constructors currently require a legacy instrument pointer
  // Future work for Instrument 2.0 most change this to work with ComponentInfo and DetectorInfo instead
  Peak();
  Peak(const Geometry::Instrument_const_sptr &m_inst, const Mantid::Kernel::V3D &QLabFrame,
       std::optional<double> detectorDistance = std::nullopt);
  Peak(const Geometry::Instrument_const_sptr &m_inst, const Mantid::Kernel::V3D &QSampleFrame,
       const Mantid::Kernel::Matrix<double> &goniometer, std::optional<double> detectorDistance = std::nullopt);
  Peak(const Geometry::Instrument_const_sptr &m_inst, int m_detectorID, double m_Wavelength);
  Peak(const Geometry::Instrument_const_sptr &m_inst, int m_detectorID, double m_Wavelength,
       const Mantid::Kernel::V3D &HKL);
  Peak(const Geometry::Instrument_const_sptr &m_inst, int m_detectorID, double m_Wavelength,
       const Mantid::Kernel::V3D &HKL, const Mantid::Kernel::Matrix<double> &goniometer);
  Peak(const Geometry::Instrument_const_sptr &m_inst, double scattering, double m_Wavelength);
 
  Peak(const Peak &other);
 
  // MSVC 2015/17 can build with noexcept = default however
  // intellisense still incorrectly reports this as an error despite compiling.
  // https://connect.microsoft.com/VisualStudio/feedback/details/1795240/visual-c-2015-default-move-constructor-and-noexcept-keyword-bug
  // For that reason we still use the supplied default which should be noexcept
  // once the above is fixed we can remove this workaround
 
#if defined(_MSC_VER) && _MSC_VER <= 1910
  Peak(Peak &&) = default;
  Peak &operator=(Peak &&) = default;
#else
  Peak(Peak &&) noexcept = default;
  Peak &operator=(Peak &&) noexcept = default;
#endif
 
  // Construct a peak from a reference to the interface
 
  explicit Peak(const Geometry::IPeak &ipeak);
 
  // Construct a peak from LeanPeak
  Peak(const Mantid::DataObjects::LeanElasticPeak &lpeak, const Geometry::Instrument_const_sptr &inst,
       std::optional<double> detectorDistance = std::nullopt);
 
  void setDetectorID(int id);
  int getDetectorID() const override;
  void addContributingDetID(const int id);
  void removeContributingDetector(const int id);
  const std::set<int> &getContributingDetIDs() const;
 
  void setInstrument(const Geometry::Instrument_const_sptr &inst);
  Geometry::IDetector_const_sptr getDetector() const;
  Geometry::Instrument_const_sptr getInstrument() const;
  std::shared_ptr<const Geometry::ReferenceFrame> getReferenceFrame() const override;
 
  int getCol() const override;
  void setCol(int col);
 
  int getRow() const override;
  void setRow(int row);
 
  const std::string &getBankName() const;
  void setBankName(std::string bankName);
 
  bool findDetector();
  bool findDetector(const Geometry::InstrumentRayTracer &tracer);
 
  Mantid::Kernel::V3D getQLabFrame() const override;
  Mantid::Kernel::V3D getQSampleFrame() const override;
  Mantid::Kernel::V3D getDetectorPosition() const;
  Mantid::Kernel::V3D getDetectorPositionNoCheck() const;
 
  void setQSampleFrame(const Mantid::Kernel::V3D &QSampleFrame,
                       std::optional<double> detectorDistance = std::nullopt) override;
  void setQLabFrame(const Mantid::Kernel::V3D &qLab, std::optional<double> detectorDistance = std::nullopt) final;
 
  void setWavelength(double wavelength) override;
  double getWavelength() const override;
  double getScattering() const override;
  double getAzimuthal() const override;
  double getDSpacing() const override;
  double getTOF() const override;
  const Mantid::Kernel::V3D &getCachedDetectorPosition() const { return detPos; }
 
  double getInitialEnergy() const override;
  double getFinalEnergy() const override;
  double getEnergyTransfer() const override;
  void setInitialEnergy(double m_initialEnergy) override;
  void setFinalEnergy(double m_finalEnergy) override;
 
  virtual Mantid::Kernel::V3D getDetPos() const;
  double getL1() const override;
  double getL2() const override;
 
  Mantid::Kernel::V3D getDetectorDirectionSampleFrame() const override;
  Mantid::Kernel::V3D getSourceDirectionSampleFrame() const override;
 
  Peak &operator=(const Peak &other);
 
  Kernel::V3D getVirtualDetectorPosition(const Kernel::V3D &detectorDir) const;
 
  double getValueByColName(std::string colName) const override;
 
private:
  bool findDetector(const Mantid::Kernel::V3D &beam, const Geometry::InstrumentRayTracer &tracer);
 
  Geometry::Instrument_const_sptr m_inst;
 
  Geometry::IDetector_const_sptr m_det;
 
  std::string m_bankName;
 
  int m_row;
 
  int m_col;
 
  int m_detectorID;
 
  double m_initialEnergy;
 
  double m_finalEnergy;
 
  Mantid::Kernel::V3D sourcePos;
 
  Mantid::Kernel::V3D detPos;
 
  std::set<int> m_detIDs;
 
  static Mantid::Kernel::Logger g_log;
};
 
using Peak_uptr = std::unique_ptr<Peak>;
 
} // namespace DataObjects
} // namespace Mantid