GaussFitter.h

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// $Maintainer: Chris Bielow $
// $Authors: Andreas Bertsch, Chris Bielow $
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//

#pragma once

#include <OpenMS/DATASTRUCTURES/String.h>
#include <OpenMS/DATASTRUCTURES/DPosition.h>
#include <OpenMS/CONCEPT/Constants.h>

#include <cmath>
#include <vector>

namespace OpenMS
{
  namespace Math
  {
    class OPENMS_DLLAPI GaussFitter
    {
public:

      struct OPENMS_DLLAPI GaussFitResult
      {
public:
        GaussFitResult()
        : A(-1.0), x0(-1.0), sigma(-1.0) {}
        GaussFitResult(double a, double x, double s)
        : A(a), x0(x), sigma(s) {}

        double A;

        double x0;

        double sigma;


        double eval(double x) const;

        double log_eval_no_normalize(double x) const;

      private:
        double halflogtwopi = 0.5*log(2.0*Constants::PI);
      };

      GaussFitter();

      virtual ~GaussFitter();

      void setInitialParameters(const GaussFitResult& result);

      GaussFitResult fit(std::vector<DPosition<2> > & points) const;

      static std::vector<double> eval(const std::vector<double>& evaluation_points, const GaussFitResult& model);

protected:

      GaussFitResult init_param_;

private:
      GaussFitter(const GaussFitter & rhs);

      GaussFitter & operator=(const GaussFitter & rhs);
    };
  }
}