SvmTheoreticalSpectrumGeneratorSet.h

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// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
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// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2023.
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// $Maintainer: Timo Sachsenberg $
// $Authors: Sandro Andreotti $
// --------------------------------------------------------------------------
 
 
#pragma once
 
#include <OpenMS/KERNEL/StandardDeclarations.h>
#include <OpenMS/KERNEL/StandardTypes.h>
#include <OpenMS/KERNEL/MSSpectrum.h>
#include <OpenMS/KERNEL/MSExperiment.h>
 
#include <OpenMS/KERNEL/StandardTypes.h>
#include <OpenMS/CHEMISTRY/SvmTheoreticalSpectrumGenerator.h>
 
namespace OpenMS
{
  class OPENMS_DLLAPI SvmTheoreticalSpectrumGeneratorSet
  {
public:
 
    SvmTheoreticalSpectrumGeneratorSet();
 
    SvmTheoreticalSpectrumGeneratorSet(const SvmTheoreticalSpectrumGeneratorSet & source);
 
    virtual ~SvmTheoreticalSpectrumGeneratorSet();
 
    SvmTheoreticalSpectrumGeneratorSet & operator=(const SvmTheoreticalSpectrumGeneratorSet & tsg);
 
    void simulate(PeakSpectrum & spectrum, const AASequence & peptide, boost::random::mt19937_64& rng, Size precursor_charge);
 
    void load(String);
 
    void getSupportedCharges(std::set<Size> & charges);
 
    SvmTheoreticalSpectrumGenerator & getSvmModel(Size);
 
protected:
    //map containing the simulator for each charge variant
    std::map<Size, SvmTheoreticalSpectrumGenerator> simulators_;
 
  };
 
 
}