SaveHKL.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 "MantidAPI/Algorithm.h"
#include "MantidCrystal/DllConfig.h"
#include "MantidDataObjects/PeaksWorkspace.h"
#include "MantidKernel/System.h"
 
namespace Mantid {
namespace Crystal {
 
class MANTID_CRYSTAL_DLL SaveHKL final : public API::Algorithm {
public:
  const std::string name() const override { return "SaveHKL"; }
  const std::string summary() const override { return "Save a PeaksWorkspace to a ASCII .hkl file."; }
 
  int version() const override { return 1; }
  const std::vector<std::string> seeAlso() const override { return {"LoadHKL", "SaveHKLCW"}; }
  const std::string category() const override { return "Crystal\\DataHandling;DataHandling\\Text"; }
 
private:
  void init() override;
  void exec() override;
 
  double absorbSphere(double radius, double twoth, double wl, double &tbar);
  double spectrumCalc(double TOF, int iSpec, std::vector<std::vector<double>> time,
                      std::vector<std::vector<double>> spectra, size_t id);
  void sizeBanks(const std::string &bankName, int &nCols, int &nRows);
 
  DataObjects::PeaksWorkspace_sptr m_ws;
  double m_smu = 0.0; // in 1/cm
  double m_amu = 0.0; // in 1/cm
  double m_power_th = 0.0;
};
 
} // namespace Crystal
} // namespace Mantid