MultiplexIsotopicPeakPattern.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: Lars Nilse $
// $Authors: Lars Nilse $
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#pragma once
 
#include <OpenMS/KERNEL/StandardTypes.h>
#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/MultiplexDeltaMasses.h>
 
#include <vector>
#include <algorithm>
#include <iostream>
 
namespace OpenMS
{
  class OPENMS_DLLAPI MultiplexIsotopicPeakPattern
  {
    public:
 
    MultiplexIsotopicPeakPattern(int c, int ppp, MultiplexDeltaMasses ms, int msi);
    
    int getCharge() const;
     
    int getPeaksPerPeptide() const;
    
    MultiplexDeltaMasses getMassShifts() const;
    
    int getMassShiftIndex() const;
    
    unsigned getMassShiftCount() const;
   
    double getMassShiftAt(size_t i) const;
    
    double getMZShiftAt(size_t i) const;
    
    unsigned getMZShiftCount() const;
    
    private:
 
    std::vector<double> mz_shifts_;
 
    int charge_;
 
    int peaks_per_peptide_;
   
    MultiplexDeltaMasses mass_shifts_;
 
    int mass_shift_index_;
      
 };
  
}