LevMarqFitter1D.h

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// Copyright (c) 2002-2023, The OpenMS Team -- EKU Tuebingen, ETH Zurich, and FU Berlin
// SPDX-License-Identifier: BSD-3-Clause
//
// --------------------------------------------------------------------------
// $Maintainer: Timo Sachsenberg $
// $Authors: $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/DATASTRUCTURES/ListUtils.h>
#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/Fitter1D.h>
#include <algorithm>
 
// forward decl
namespace Eigen
{
  template<typename _Scalar, int _Rows, int _Cols, int _Options, int _MaxRows, int _MaxCols>
  class Matrix;
  using MatrixXd = Matrix<double, -1, -1, 0, -1, -1>;
  using VectorXd = Matrix<double, -1, 1, 0, -1, 1>;
} // namespace Eigen
 
namespace OpenMS
{
 
  class OPENMS_DLLAPI LevMarqFitter1D : public Fitter1D
  {
  public:
    typedef std::vector<double> ContainerType;
 
    // TODO: This is copy and paste from TraceFitter.h. Make a generic wrapper for LM optimization
    class GenericFunctor
    {
    public:
      int inputs() const
      {
        return m_inputs;
      }
      int values() const
      {
        return m_values;
      }
 
      GenericFunctor(int dimensions, int num_data_points) : m_inputs(dimensions), m_values(num_data_points)
      {
      }
 
      virtual ~GenericFunctor()
      {
      }
 
      virtual int operator()(const Eigen::VectorXd& x, Eigen::VectorXd& fvec) const = 0;
 
      // compute Jacobian matrix for the different parameters
      virtual int df(const Eigen::VectorXd& x, Eigen::MatrixXd& J) const = 0;
 
    protected:
      const int m_inputs, m_values;
    };
 
    LevMarqFitter1D() : Fitter1D()
    {
      this->defaults_.setValue("max_iteration", 500, "Maximum number of iterations using by Levenberg-Marquardt algorithm.", {"advanced"});
    }
 
    LevMarqFitter1D(const LevMarqFitter1D& source) : Fitter1D(source), max_iteration_(source.max_iteration_)
    {
    }
 
    ~LevMarqFitter1D() override
    {
    }
 
    LevMarqFitter1D& operator=(const LevMarqFitter1D& source)
    {
      if (&source == this)
        return *this;
 
      Fitter1D::operator=(source);
      max_iteration_ = source.max_iteration_;
 
      return *this;
    }
 
  protected:
    bool symmetric_;
    Int max_iteration_;
 
    void optimize_(Eigen::VectorXd& x_init, GenericFunctor& functor) const;
 
    void updateMembers_() override;
  };
} // namespace OpenMS