QScore.h

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//--------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2022.
//
// This software is released under a three-clause BSD license:
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//  * Redistributions in binary form must reproduce the above copyright
//    notice, this list of conditions and the following disclaimer in the
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//    may be used to endorse or promote products derived from this software
//    without specific prior written permission.
// For a full list of authors, refer to the file AUTHORS.
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// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
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// --------------------------------------------------------------------------
// $Maintainer: Kyowon Jeong $
// $Authors: Kyowon Jeong $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/KERNEL/Peak1D.h>
#include <OpenMS/METADATA/Precursor.h>
#include <OpenMS/ANALYSIS/TOPDOWN/FLASHDeconvHelperStructs.h>
#include <OpenMS/ANALYSIS/TOPDOWN/DeconvolvedSpectrum.h>
 
namespace OpenMS
{
  class PeakGroup;
 
  class OPENMS_DLLAPI QScore
  {
  public:
    typedef FLASHDeconvHelperStructs::LogMzPeak LogMzPeak;
 
    static double getQScore(const PeakGroup *pg, const int abs_charge);
 
    static void writeAttTsv(const DeconvolvedSpectrum&  deconvolved_spectrum,
                            const FLASHDeconvHelperStructs::TopPicItem& top_id,
                            const FLASHDeconvHelperStructs::PrecalculatedAveragine& avg,
                            std::fstream& f,
                            bool write_detail = false);
 
    static void writeAttHeader(std::fstream& f, bool write_detail = false);
 
  private:
    static std::vector<double> toFeatureVector_(const PeakGroup *pg, const int abs_charge);
  };
}