EmgFitter1D.h

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// $Maintainer: Timo Sachsenberg $
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#ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_EMGFITTER1D_H
#define OPENMS_TRANSFORMATIONS_FEATUREFINDER_EMGFITTER1D_H

#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/LevMarqFitter1D.h>

namespace OpenMS
{
  class OPENMS_DLLAPI EmgFitter1D :
    public LevMarqFitter1D
  {
public:

    EmgFitter1D();

    EmgFitter1D(const EmgFitter1D& source);

    virtual ~EmgFitter1D();

    virtual EmgFitter1D& operator=(const EmgFitter1D& source);

    static Fitter1D* create()
    {
      return new EmgFitter1D();
    }

    static const String getProductName()
    {
      return "EmgFitter1D";
    }

    QualityType fit1d(const RawDataArrayType& range, InterpolationModel*& model);

protected:
    struct Data
    {
      typedef Peak1D PeakType;
      typedef std::vector<PeakType> RawDataArrayType;

      Size n;
      RawDataArrayType set;
    };

    class EgmFitterFunctor :
      public LevMarqFitter1D::GenericFunctor
    {
public:
      EgmFitterFunctor(int dimensions, const EmgFitter1D::Data* data) :
        LevMarqFitter1D::GenericFunctor(dimensions,
                                        static_cast<int>(data->n)),
        m_data(data)
      {}

      int operator()(const Eigen::VectorXd& x, Eigen::VectorXd& fvec);
      // compute Jacobian matrix for the different parameters
      int df(const Eigen::VectorXd& x, Eigen::MatrixXd& J);

protected:
      const EmgFitter1D::Data* m_data;
    };

    virtual void setInitialParameters_(const RawDataArrayType& set);

    CoordinateType height_;
    CoordinateType width_;
    CoordinateType symmetry_;
    CoordinateType retention_;

    void updateMembers_();
  };

}

#endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_EMGFITTER1D_H