MRMMapping.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: Hannes Roest $
// $Authors: Hannes Roest $
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#pragma once
 
#include <OpenMS/DATASTRUCTURES/DefaultParamHandler.h>
 
#include <OpenMS/ANALYSIS/TARGETED/TargetedExperiment.h>
#include <OpenMS/KERNEL/MSExperiment.h>
 
namespace OpenMS
{
 
  class OPENMS_DLLAPI MRMMapping :
    public DefaultParamHandler
  {
public:
 
    MRMMapping();
 
    ~MRMMapping() override {}
 
    void mapExperiment(const OpenMS::PeakMap& input_chromatograms,
        const OpenMS::TargetedExperiment& targeted_exp,
        OpenMS::PeakMap& output) const;
 
protected:
 
    MRMMapping(const MRMMapping & rhs);
 
    MRMMapping & operator=(const MRMMapping & rhs);
 
    void updateMembers_() override;
 
    double precursor_tol_;
    double product_tol_;
    bool map_multiple_assays_;
    bool error_on_unmapped_;
 
  };
}