MDWSTransform.h

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// 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
 
#include "MantidMDAlgorithms/MDTransfAxisNames.h"
#include "MantidMDAlgorithms/MDWSDescription.h"
 
namespace Mantid {
namespace MDAlgorithms {
/***  The class responsible for building Momentums Transformation Matrix for
   CnvrtToMD algorithm
   *  from the input parameters of the algorithm and parameters, retrieved from
   input and
   *  (if availible) output MD workspace
   *
   *  The parameters are mainly related to MDTransfQ3D though are partially
   applicable to MDTransfModQ (scaling)
   *  They are fully igonred for MDTransfNoQ which copies its data to
   MDworkspace and completely ignores
   *  the transformation matrix, defined by this class
 
   @date 2012-03-20
*/
namespace CnvrtToMD {
enum CoordScaling {
  NoScaling,   //< momentums in A^-1
  SingleScale, //< momentuns divided by  2*Pi/Lattice -- equivalend to d-spacing
  // in some sence
  OrthogonalHKLScale, //< each momentum component divided by appropriate lattice
  // parameter; equivalent to hkl for reclenear lattice
  HKLScale, //< non-orthogonal system for non-reclenear lattice
  NCoordScalings
};
enum TargetFrame {
  LabFrame, //< * '''Q (lab frame)''': this calculates the momentum transfer
            //(ki-kf) for each event is calculated in the experimental lab
  // frame.
  SampleFrame, //< * '''Q (sample frame)''': the goniometer rotation of the
  // sample is taken out, to give Q in the frame of the sample. See
  //[[SetGoniometer]] to specify the goniometer used in the
  // experiment.
  HKLFrame, //<* '''HKL''': uses the UB matrix (see [[SetUB]],
            //[[FindUBUsingFFT]] and others) to calculate the HKL Miller indices
  // of each event.
  AutoSelect, //<*  This tries to select one of above by analyzing the
  // goniometer and UB matrix parameters on the workspace and tries
  // to establish what coordinate system is actually defined/needed.
  NTargetFrames
};
} // namespace CnvrtToMD
 
class MANTID_MDALGORITHMS_DLL MDWSTransform {
public:
  MDWSTransform();
 
  void setUVvectors(const std::vector<double> &ut, const std::vector<double> &vt, const std::vector<double> &wt);
 
  std::vector<double> getTransfMatrix(MDAlgorithms::MDWSDescription &TargWSDescription,
                                      const std::string &FrameRequested, const std::string &QScaleRequested) const;
 
  void setQ3DDimensionsNames(MDAlgorithms::MDWSDescription &TargWSDescription, CnvrtToMD::TargetFrame FrameID,
                             CnvrtToMD::CoordScaling ScaleID) const;
  void setModQDimensionsNames(MDAlgorithms::MDWSDescription &TargWSDescription,
                              const std::string &QScaleRequested) const;
  std::vector<std::string> getQScalings() const { return m_QScalingID; }
  CnvrtToMD::CoordScaling getQScaling(const std::string &ScID) const;
  std::string getQScaling(const CnvrtToMD::CoordScaling ScaleID) const;
  std::vector<std::string> getTargetFrames() const { return m_TargFramesID; }
  CnvrtToMD::TargetFrame getTargetFrame(const std::string &FrameID) const;
  std::string getTargetFrame(const CnvrtToMD::TargetFrame FrameID) const;
 
private:
  bool m_isUVdefault;
  mutable Kernel::V3D m_UProj, m_VProj, m_WProj;
 
  std::vector<std::string> m_QScalingID;
  std::vector<std::string> m_TargFramesID;
  bool v3DIsDefault(const std::vector<double> &vect, const std::string &message) const;
 
protected: // for testing
  Kernel::DblMatrix buildQTrahsf(MDAlgorithms::MDWSDescription &TargWSDescription, CnvrtToMD::CoordScaling ScaleID,
                                 bool UnitUB = false) const;
  // std::vector<Kernel::V3D> buildOrtho3D(const Kernel::DblMatrix &BM,const
  // Kernel::V3D &u, const Kernel::V3D &v)const;
 
  std::vector<double> getTransfMatrix(MDAlgorithms::MDWSDescription &TargWSDescription, CnvrtToMD::TargetFrame FrameID,
                                      CnvrtToMD::CoordScaling &ScaleID) const;
 
  CnvrtToMD::TargetFrame findTargetFrame(MDAlgorithms::MDWSDescription &TargWSDescription) const;
  // helper function which verifies, if the input information availble on the
  // workspace consistent with the frame requiested
  void checkTargetFrame(const MDAlgorithms::MDWSDescription &TargWSDescription,
                        const CnvrtToMD::TargetFrame CoordFrameID) const;
};
} // namespace MDAlgorithms
} // namespace Mantid