MultiplexDeltaMasses.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/DATASTRUCTURES/String.h>
 
#include <vector>
#include <set>
#include <algorithm>
#include <iostream>
 
namespace OpenMS
{
  class OPENMS_DLLAPI MultiplexDeltaMasses
  {
    public:
    
    typedef std::multiset<String> LabelSet;
 
    struct OPENMS_DLLAPI DeltaMass
    {
      double delta_mass;
      LabelSet label_set;
      
      DeltaMass(double dm, LabelSet ls);
      
      // delta mass with a label set containing a single label
      DeltaMass(double dm, const String& l);
    };
 
    MultiplexDeltaMasses();
    
    MultiplexDeltaMasses(const std::vector<DeltaMass>& dm);
        
    std::vector<DeltaMass>& getDeltaMasses();
    
    const std::vector<DeltaMass>& getDeltaMasses() const;
    
    static String labelSetToString(const LabelSet& ls);
    
    private:
   
    std::vector<DeltaMass> delta_masses_;
    
 };
 
 bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2);
  
}