Goniometer.h

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2007 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 "MantidGeometry/Crystal/AngleUnits.h"
#include "MantidKernel/Matrix.h"
#include "MantidKernel/V3D.h"
#include <nexus/NeXusFile.hpp>
#include <string>
#include <utility>
 
namespace Mantid {
namespace Geometry {
 
enum RotationSense {
  CW = -1, 
  CCW = 1
}; 
 
struct GoniometerAxis {
  std::string name;         
  Kernel::V3D rotationaxis; 
  double angle;             
  int sense;                
  int angleunit;            
  GoniometerAxis(std::string initname, const Kernel::V3D &initrotationaxis, double initangle, int initsense,
                 int initangleunit)
      : name(std::move(initname)), rotationaxis(initrotationaxis), angle(initangle), sense(initsense),
        angleunit(initangleunit) {}
  GoniometerAxis() : name(""), rotationaxis(), angle(0.), sense(0), angleunit(0) {}
 
  void saveNexus(::NeXus::File *file, const std::string &group) const;
  void loadNexus(::NeXus::File *file, const std::string &group);
};
 
class MANTID_GEOMETRY_DLL Goniometer {
public:
  // Default constructor
  Goniometer();
  // Constructor from a rotation matrix
  Goniometer(const Kernel::DblMatrix &rot);
  // Default destructor
  virtual ~Goniometer() = default;
  // Return rotation matrix
  const Kernel::DblMatrix &getR() const;
  // Set the rotation matrix
  void setR(Kernel::DblMatrix rot);
  // Return information about axes
  std::string axesInfo();
  // Add axis to goniometer
  void pushAxis(const std::string &name, double axisx, double axisy, double axisz, double angle = 0., int sense = CCW,
                int angUnit = angDegrees);
  // Set rotation angle for an axis in the units the angle is set (default --
  // degrees)
  void setRotationAngle(const std::string &name, double value);
  // Set rotation angle for an axis in the units the angle is set (default --
  // degrees)
  void setRotationAngle(size_t axisnumber, double value);
  // Calculate goniometer for rotation around y-axis for constant wavelength
  // from Q Sample
  void calcFromQSampleAndWavelength(const Mantid::Kernel::V3D &Q, double wavelength, bool flip_x = false,
                                    bool inner = false);
  // Get axis object
  const GoniometerAxis &getAxis(size_t axisnumber) const;
  // Get axis object
  const GoniometerAxis &getAxis(const std::string &axisname) const;
  // Return the number of axes
  size_t getNumberAxes() const;
  // Make a default universal goniometer
  void makeUniversalGoniometer();
  // Return Euler angles acording to a convention
  std::vector<double> getEulerAngles(const std::string &convention = "YZX");
 
  void saveNexus(::NeXus::File *file, const std::string &group) const;
  void loadNexus(::NeXus::File *file, const std::string &group);
  bool isDefined() const;
  bool operator==(const Goniometer &other) const;
  bool operator!=(const Goniometer &other) const;
 
private:
  Kernel::DblMatrix R;
  std::vector<GoniometerAxis> motors;
  bool initFromR;
  void recalculateR();
};
} // namespace Geometry
} // namespace Mantid