SelectCellWithForm.h

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2012 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/IPeaksWorkspace.h"
#include "MantidCrystal/DllConfig.h"
#include "MantidGeometry/Crystal/ConventionalCell.h"
#include "MantidGeometry/Crystal/OrientedLattice.h"
 
namespace Mantid {
namespace Crystal {
class MANTID_CRYSTAL_DLL SelectCellWithForm final : public API::Algorithm {
public:
  const std::string name() const override { return "SelectCellWithForm"; };
 
  int version() const override { return 1; };
  const std::vector<std::string> seeAlso() const override {
    return {"FindUBUsingFFT", "FindUBUsingIndexedPeaks", "FindUBUsingLatticeParameters"};
  }
 
  const std::string category() const override { return "Crystal\\Cell"; }
 
  const std::string summary() const override {
    return "Select a conventional cell with a specific form number, "
           "corresponding to the UB stored with the sample for this peaks "
           "works space.";
  }
 
  static Kernel::Matrix<double> DetermineErrors(std::vector<double> &sigabc, const Kernel::Matrix<double> &UB,
                                                const Kernel::Matrix<double> &modUB,
                                                const API::IPeaksWorkspace_sptr &ws, double tolerance);
 
  static void ApplyTransform(Kernel::Matrix<double> &newUB, API::IPeaksWorkspace_sptr &ws, double tolerance,
                             int &num_indexed, double &average_error);
 
private:
  void init() override;
 
  void exec() override;
};
 
} // namespace Crystal
} // namespace Mantid