MultiplexFilteredPeak.h

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// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2023.
//
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//  * Redistributions in binary form must reproduce the above copyright
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//    documentation and/or other materials provided with the distribution.
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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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// --------------------------------------------------------------------------
// $Maintainer: Lars Nilse $
// $Authors: Lars Nilse $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/KERNEL/StandardTypes.h>
#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/MultiplexSatelliteCentroided.h>
#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/MultiplexSatelliteProfile.h>
 
#include <map>
#include <vector>
#include <algorithm>
#include <iostream>
 
namespace OpenMS
{
  class OPENMS_DLLAPI MultiplexFilteredPeak
  {
    public:
 
    MultiplexFilteredPeak(double mz, float rt, size_t mz_idx, size_t rt_idx);
 
    double getMZ() const;
     
    float getRT() const;
    
    size_t getMZidx() const;
     
    size_t getRTidx() const;
    
    void addSatellite(size_t rt_idx, size_t mz_idx, size_t pattern_idx);
    
    void addSatellite(const MultiplexSatelliteCentroided& satellite, size_t pattern_idx);
    
    void addSatelliteProfile(float rt, double mz, float intensity, size_t pattern_idx);
    
    void addSatelliteProfile(const MultiplexSatelliteProfile& satellite, size_t pattern_idx);
    
    bool checkSatellite(size_t rt_idx, size_t mz_idx) const;
    
    const std::multimap<size_t, MultiplexSatelliteCentroided >& getSatellites() const;
    
    const std::multimap<size_t, MultiplexSatelliteProfile >& getSatellitesProfile() const;
    
    size_t size() const;
    
    size_t sizeProfile() const;
    
    private:
    double mz_;
    float rt_;
    
    size_t mz_idx_;
    size_t rt_idx_;
    
    std::multimap<size_t, MultiplexSatelliteCentroided > satellites_;
    
    std::multimap<size_t, MultiplexSatelliteProfile > satellites_profile_;
 
  };
  
}