IBSpectraFile.h

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// Copyright (c) 2002-present, OpenMS Inc. -- EKU Tuebingen, ETH Zurich, and FU Berlin
// SPDX-License-Identifier: BSD-3-Clause
//
// --------------------------------------------------------------------------
// $Maintainer: Timo Sachsenberg $
// $Authors: Stephan Aiche $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/config.h>
#include <OpenMS/DATASTRUCTURES/StringListUtils.h>
 
// std::shared_ptr
#include <memory>
 
namespace OpenMS
{
 
  // forward declaration
  class ConsensusMap;
  class IsobaricQuantitationMethod;
  class AASequence;
  
  class OPENMS_DLLAPI IBSpectraFile
  {
public:
    IBSpectraFile();
 
    IBSpectraFile(const IBSpectraFile& other);
 
    IBSpectraFile& operator=(const IBSpectraFile& rhs);
 
    void store(const std::string& filename, const ConsensusMap& cm);
private:
 
    std::shared_ptr<IsobaricQuantitationMethod> guessExperimentType_(const ConsensusMap& cm);
 
    StringList constructHeader_(const IsobaricQuantitationMethod& quantMethod);
    
    std::string getModifString_(const AASequence& sequence);
  };
 
}