PosteriorErrorProbabilityModel.h

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// $Maintainer: David Wojnar $
// $Authors: David Wojnar $
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#ifndef OPENMS_MATH_STATISTICS_POSTERIORERRORPROBABILITYMODEL_H
#define OPENMS_MATH_STATISTICS_POSTERIORERRORPROBABILITYMODEL_H

#include <OpenMS/DATASTRUCTURES/DPosition.h>
#include <OpenMS/MATH/STATISTICS/GumbelDistributionFitter.h>
#include <OpenMS/MATH/STATISTICS/GaussFitter.h>
#include <OpenMS/DATASTRUCTURES/DefaultParamHandler.h>
#include <vector>

namespace OpenMS
{
  class String;
  class TextFile;
  namespace Math
  {


    class OPENMS_DLLAPI PosteriorErrorProbabilityModel :
      public DefaultParamHandler
    {
public:

      PosteriorErrorProbabilityModel();

      virtual ~PosteriorErrorProbabilityModel();

      bool fit(std::vector<double> & search_engine_scores);

      bool fit(std::vector<double> & search_engine_scores, std::vector<double> & probabilities);

      void fillDensities(std::vector<double> & x_scores, std::vector<DoubleReal> & incorrect_density, std::vector<DoubleReal> & correct_density);
      DoubleReal computeMaxLikelihood(std::vector<DoubleReal> & incorrect_density, std::vector<DoubleReal> & correct_density);
      DoubleReal one_minus_sum_post(std::vector<DoubleReal> & incorrect_density, std::vector<DoubleReal> & correct_density);
      DoubleReal sum_post(std::vector<DoubleReal> & incorrect_density, std::vector<DoubleReal> & correct_density);
      DoubleReal sum_pos_x0(std::vector<double> & x_scores, std::vector<DoubleReal> & incorrect_density, std::vector<DoubleReal> & correct_density);
      DoubleReal sum_neg_x0(std::vector<double> & x_scores, std::vector<DoubleReal> & incorrect_density, std::vector<DoubleReal> & correct_density);
      DoubleReal sum_pos_sigma(std::vector<double> & x_scores, std::vector<DoubleReal> & incorrect_density, std::vector<DoubleReal> & correct_density, DoubleReal positive_mean);
      DoubleReal sum_neg_sigma(std::vector<double> & x_scores, std::vector<DoubleReal> & incorrect_density, std::vector<DoubleReal> & correct_density, DoubleReal positive_mean);


      GaussFitter::GaussFitResult getCorrectlyAssignedFitResult() const
      {
        return correctly_assigned_fit_param_;
      }

      GaussFitter::GaussFitResult getIncorrectlyAssignedFitResult() const
      {
        return incorrectly_assigned_fit_param_;
      }

      DoubleReal getNegativePrior() const
      {
        return negative_prior_;
      }

      DoubleReal getGauss(DoubleReal x, const GaussFitter::GaussFitResult & params)
      {
        return params.A * exp(-1.0 * pow(x - params.x0, 2) / (2 * pow(params.sigma, 2)));
      }

      DoubleReal getGumbel(DoubleReal x, const GaussFitter::GaussFitResult & params)
      {
        DoubleReal z = exp((params.x0 - x) / params.sigma);
        return (z * exp(-1 * z)) / params.sigma;
      }

      DoubleReal computeProbability(DoubleReal score);

      TextFile * InitPlots(std::vector<double> & x_scores);

      const String getGumbelGnuplotFormula(const GaussFitter::GaussFitResult & params) const;

      const String getGaussGnuplotFormula(const GaussFitter::GaussFitResult & params) const;

      const String getBothGnuplotFormula(const GaussFitter::GaussFitResult & incorrect, const GaussFitter::GaussFitResult & correct) const;

      void plotTargetDecoyEstimation(std::vector<double> & target, std::vector<double> & decoy);

      inline DoubleReal getSmallestScore()
      {
        return smallest_score_;
      }

private:
      PosteriorErrorProbabilityModel & operator=(const PosteriorErrorProbabilityModel & rhs);
      PosteriorErrorProbabilityModel(const PosteriorErrorProbabilityModel & rhs);
      GaussFitter::GaussFitResult incorrectly_assigned_fit_param_;
      GaussFitter::GaussFitResult correctly_assigned_fit_param_;
      DoubleReal negative_prior_;
      DoubleReal max_incorrectly_;
      DoubleReal max_correctly_;
      DoubleReal smallest_score_;
      DoubleReal (PosteriorErrorProbabilityModel::* calc_incorrect_)(DoubleReal x, const GaussFitter::GaussFitResult & params);
      DoubleReal (PosteriorErrorProbabilityModel::* calc_correct_)(DoubleReal x, const GaussFitter::GaussFitResult & params);
      const String (PosteriorErrorProbabilityModel::* getNegativeGnuplotFormula_)(const GaussFitter::GaussFitResult & params) const;
      const String (PosteriorErrorProbabilityModel::* getPositiveGnuplotFormula_)(const GaussFitter::GaussFitResult & params) const;

    };
  }
}

#endif // OPENMS_MATH_STATISTICS_POSTERIORERRORPROBABILITYMODEL_H