AbsorptionCorrection.h

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2010 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 "MantidAPI/Algorithm.h"
#include "MantidAPI/MatrixWorkspace_fwd.h"
#include "MantidAlgorithms/DllConfig.h"
#include "MantidGeometry/IDTypes.h"
#include "MantidGeometry/Objects/IObject.h"
#include "MantidKernel/DeltaEMode.h"
#include "MantidKernel/Material.h"
#include "MantidKernel/V3D.h"
 
namespace Mantid {
 
namespace API {
class Sample;
}
namespace Geometry {
class IDetector;
class IObject;
} // namespace Geometry
 
namespace Algorithms {
class MANTID_ALGORITHMS_DLL AbsorptionCorrection : public API::Algorithm {
public:
  AbsorptionCorrection();
  const std::string category() const override { return "CorrectionFunctions\\AbsorptionCorrections"; }
  const std::string summary() const override {
    return "Calculates an approximation of the attenuation due to absorption "
           "and single scattering in a generic sample shape. The sample shape "
           "can be defined by the CreateSampleShape algorithm.";
  }
 
protected:
  ~AbsorptionCorrection() = default;
 
  virtual void defineProperties() { /*Empty in base class*/
  }
  virtual void retrieveProperties() { /*Empty in base class*/
  }
  virtual std::string sampleXML() = 0;
  virtual void initialiseCachedDistances() = 0;
 
  API::MatrixWorkspace_sptr m_inputWS;         
  const Geometry::IObject *m_sampleObject;     
  Kernel::V3D m_beamDirection;                 
  std::vector<double> m_L1s,                   
      m_elementVolumes;                        
  std::vector<Kernel::V3D> m_elementPositions; 
  size_t m_numVolumeElements;                  
  double m_sampleVolume;                       
 
private:
  void init() override;
  std::map<std::string, std::string> validateInputs() override;
  void exec() override;
 
  void retrieveBaseProperties();
  void constructSample(API::Sample &sample);
  void calculateDistances(const Geometry::IDetector &detector, std::vector<double> &L2s) const;
  inline double doIntegration(const double linearCoefAbs, const std::vector<double> &L2s, const size_t startIndex,
                              const size_t endIndex) const;
  inline double doIntegration(const double linearCoefAbsL1, const double linearCoefAbsL2,
                              const std::vector<double> &L2s, const size_t startIndex, const size_t endIndex) const;
 
  Kernel::Material m_material;
  double m_linearCoefTotScatt; 
  int64_t m_num_lambda;        
  int64_t m_xStep; 
  Kernel::DeltaEMode::Type m_emode;
  double m_lambdaFixed; 
 
  using expfunction = double (*)(double); 
  expfunction EXPONENTIAL;                
};
 
} // namespace Algorithms
} // namespace Mantid