SCDCalibratePanels.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 "MantidAPI/Algorithm.h"
#include "MantidDataObjects/PeaksWorkspace.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidGeometry/IComponent.h"
#include "MantidGeometry/Instrument.h"
#include "MantidGeometry/Instrument/ParameterMap.h"
#include "MantidGeometry/Instrument/RectangularDetector.h"
#include "MantidKernel/Quat.h"
 
namespace Mantid {
namespace Crystal {
class SCDCalibratePanels : public Mantid::API::Algorithm {
public:
  const std::string name() const override;
  const std::string summary() const override {
    return "Panel parameters and L0 are optimized to "
           "minimize errors between theoretical and actual q values for the "
           "peaks";
  }
 
  int version() const override;
  const std::vector<std::string> seeAlso() const override { return {"CalculateUMatrix"}; }
 
  const std::string category() const override;
 
private:
  void saveIsawDetCal(std::shared_ptr<Geometry::Instrument> &instrument,
                      boost::container::flat_set<std::string> &AllBankName, double T0, const std::string &filename);
 
  void findU(const DataObjects::PeaksWorkspace_sptr &peaksWs);
  void saveNexus(const std::string &outputFile, const API::MatrixWorkspace_sptr &outputWS);
  void findL1(int nPeaks, const DataObjects::PeaksWorkspace_sptr &peaksWs);
  void findL2(boost::container::flat_set<std::string> MyBankNames, const DataObjects::PeaksWorkspace_sptr &peaksWs);
  void findT0(int nPeaks, const DataObjects::PeaksWorkspace_sptr &peaksWs);
 
  void exec() override;
 
  void init() override;
 
  API::ITableWorkspace_sptr Result;
 
  double mT0 = 0.0;
 
  void saveXmlFile(const std::string &FileName, const boost::container::flat_set<std::string> &AllBankNames,
                   const Geometry::Instrument &instrument) const;
};
 
} // namespace Crystal
} // namespace Mantid