SplineSmoothing.h

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2013 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/WorkspaceFactory.h"
#include "MantidAPI/WorkspaceGroup_fwd.h"
#include "MantidCurveFitting/Functions/BSpline.h"
#include "MantidKernel/System.h"
 
namespace Mantid {
namespace CurveFitting {
namespace Algorithms {
 
class MANTID_CURVEFITTING_DLL SplineSmoothing final : public API::Algorithm {
public:
  SplineSmoothing();
 
  const std::string name() const override;
  int version() const override;
  const std::vector<std::string> seeAlso() const override { return {"Fit", "SplineInterpolation", "SplineBackground"}; }
  const std::string category() const override;
  const std::string summary() const override {
    return "Smooths a set of spectra using a cubic spline. Optionally, this "
           "algorithm can also calculate derivatives up to order 2 as a side "
           "product";
  }
 
private:
  const int M_START_SMOOTH_POINTS;
 
  // Overridden methods
  void init() override;
  void exec() override;
 
  void smoothSpectrum(const int index);
 
  void calculateSpectrumDerivatives(const int index, const int order);
 
  API::MatrixWorkspace_sptr setupOutputWorkspace(const API::MatrixWorkspace_sptr &inws, const int size) const;
 
  void convertToHistogram();
 
  void selectSmoothingPoints(const API::MatrixWorkspace &inputWorkspace, const size_t row);
 
  void calculateSmoothing(const API::MatrixWorkspace &inputWorkspace, API::MatrixWorkspace &outputWorkspace,
                          const size_t row) const;
 
  void calculateDerivatives(const API::MatrixWorkspace &inputWorkspace, API::MatrixWorkspace &outputWorkspace,
                            const int order, const size_t row) const;
 
  void addSmoothingPoints(const std::set<int> &points, const double *xs, const double *ys) const;
 
  bool checkSmoothingAccuracy(const int start, const int end, const double *ys, const double *ysmooth) const;
 
  void performAdditionalFitting(const API::MatrixWorkspace_sptr &ws, const int row);
 
  API::MatrixWorkspace_sptr convertBinnedData(API::MatrixWorkspace_sptr workspace);
 
  std::shared_ptr<Functions::BSpline> m_cspline;
  API::MatrixWorkspace_sptr m_inputWorkspace;
  API::MatrixWorkspace_sptr m_inputWorkspacePointData;
  API::WorkspaceGroup_sptr m_derivativeWorkspaceGroup;
  API::MatrixWorkspace_sptr m_outputWorkspace;
};
 
} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid