Qvalue.h

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//--------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
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// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
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// $Maintainer: Kyowon Jeong $
// $Authors: Kyowon Jeong $
// --------------------------------------------------------------------------

#pragma once

#include <OpenMS/ANALYSIS/TOPDOWN/DeconvolvedSpectrum.h>
#include <OpenMS/ANALYSIS/TOPDOWN/FLASHDeconvHelperStructs.h>
#include <OpenMS/KERNEL/Peak1D.h>


namespace OpenMS
{
  class PeakGroup;

  class OPENMS_DLLAPI Qvalue
  {
  public:
    typedef FLASHDeconvHelperStructs::LogMzPeak LogMzPeak;

    void static updatePeakGroupQvalues(std::vector<DeconvolvedSpectrum>& deconvolved_spectra, std::vector<DeconvolvedSpectrum>& deconvolved_decoy_spectra);

  private:
    static uint getBinNumber(float qscore, uint total_bin_number);
    static float getBinValue(uint bin_number, uint total_bin_number);
    static std::vector<float> getDistribution(const std::vector<float>& qscores, uint bin_number);
    static std::vector<float> getDistributionWeights(const std::vector<float>& mixed_dist, const std::vector<std::vector<float>>& comp_dists, uint num_iterations = 100);
  };
} // namespace OpenMS