LmaGaussFitter1D.h

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//                   OpenMS -- Open-Source Mass Spectrometry
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// $Maintainer: Clemens Groepl $
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#ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_LMAGAUSSFITTER1D_H
#define OPENMS_TRANSFORMATIONS_FEATUREFINDER_LMAGAUSSFITTER1D_H

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

namespace OpenMS
{
  class OPENMS_DLLAPI LmaGaussFitter1D :
    public LevMarqFitter1D
  {
public:

    LmaGaussFitter1D();

    LmaGaussFitter1D(const LmaGaussFitter1D & source);

    virtual ~LmaGaussFitter1D();

    virtual LmaGaussFitter1D & operator=(const LmaGaussFitter1D & source);

    static Fitter1D * create()
    {
      return new LmaGaussFitter1D();
    }

    static const String getProductName()
    {
      return "LmaGaussFitter1D";
    }

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

protected:

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

      Size n;
      RawDataArrayType set;
    };

    void setInitialParameters_(const RawDataArrayType & set);

    static Int residual_(const gsl_vector * x, void * params, gsl_vector * f);

    static Int jacobian_(const gsl_vector * x, void * params, gsl_matrix * J);

    static Int evaluate_(const gsl_vector * x, void * params, gsl_vector * f, gsl_matrix * J);

    void printState_(Int iter, gsl_multifit_fdfsolver * s);

    CoordinateType standard_deviation_;
    CoordinateType scale_factor_;
    CoordinateType expected_value_;

    void updateMembers_();
  };

}

#endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_LMAGAUSSFITTER1D_H