libopenms-dev 1.11.1-5 / usr / include / OpenMS / MATH / STATISTICS / GumbelDistributionFitter.h

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// $Maintainer: David Wojnar $
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#ifndef OPENMS_MATH_STATISTICS_GUMBELDISTRIBUTIONFITTER_H
#define OPENMS_MATH_STATISTICS_GUMBELDISTRIBUTIONFITTER_H

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

#include <vector>

// gsl includes
#include <gsl/gsl_rng.h>
#include <gsl/gsl_vector.h>
#include <gsl/gsl_multifit_nlin.h>


namespace OpenMS
{
  namespace Math
  {
    /**
      @brief Implements a fitter for the Gumbel distribution.

      This class fits a Gumbel distribution to a number of data points.
      The results as well as the initial guess are specified using the struct
          GumbelDistributionFitResult.

      The formula with the fitted parameters can be transformed into a
      gnuplot formula using getGnuplotFormula() after fitting.

          The implementation is done using GSL fitting algorithms.

          @ingroup Math
      */
    class OPENMS_DLLAPI GumbelDistributionFitter
    {
public:

      /// struct to represent the parameters of a gumbel distribution
      struct GumbelDistributionFitResult
      {
public:

        GumbelDistributionFitResult() :
          a(1.0),
          b(2.0)
        {
        }

        GumbelDistributionFitResult(const GumbelDistributionFitResult & rhs) :
          a(rhs.a),
          b(rhs.b)
        {
        }

        GumbelDistributionFitResult & operator=(const GumbelDistributionFitResult & rhs)
        {
          if (this != &rhs)
          {
            a = rhs.a;
            b = rhs.b;
          }
          return *this;
        }

        /// location parameter a
        double a;

        /// scale parameter b
        double b;
      };

      /// Default constructor
      GumbelDistributionFitter();
      /// Destructor
      virtual ~GumbelDistributionFitter();

      /// sets the gumbel distribution start parameters a and b for the fitting
      void setInitialParameters(const GumbelDistributionFitResult & result);

      /**
          @brief Fits a gumbel distribution to the given data points

          @param points Input parameter which represents the point used for the fitting

          @exception Exception::UnableToFit is thrown if fitting cannot be performed
      */
      GumbelDistributionFitResult fit(std::vector<DPosition<2> > & points);

      /// returns the gnuplot formula of the fitted gumbel distribution
      const String & getGnuplotFormula() const;

protected:

      static int gumbelDistributionFitterf_(const gsl_vector * x, void * params, gsl_vector * f);

      static int gumbelDistributionFitterdf_(const gsl_vector * x, void * params, gsl_matrix * J);

      static int gumbelDistributionFitterfdf_(const gsl_vector * x, void * params, gsl_vector * f, gsl_matrix * J);

      void printState_(size_t iter, gsl_multifit_fdfsolver * s);

      GumbelDistributionFitResult init_param_;

      String gnuplot_formula_;

private:
      /// Copy constructor (not implemented)
      GumbelDistributionFitter(const GumbelDistributionFitter & rhs);
      /// assignment operator (not implemented)
      GumbelDistributionFitter & operator=(const GumbelDistributionFitter & rhs);
    };
  }
}

#endif