Modification.h

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// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2018.
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// $Maintainer: Timo Sachsenberg $
// $Authors: Marc Sturm $
// --------------------------------------------------------------------------

#pragma once

#include <OpenMS/METADATA/SampleTreatment.h>

#include <OpenMS/DATASTRUCTURES/String.h>

namespace OpenMS
{
  class OPENMS_DLLAPI Modification :
    public SampleTreatment
  {
public:
    enum SpecificityType
    {
      AA       
      , AA_AT_CTERM      
      , AA_AT_NTERM      
      , CTERM      
      , NTERM      
      , SIZE_OF_SPECIFICITYTYPE
    };
    static const std::string NamesOfSpecificityType[SIZE_OF_SPECIFICITYTYPE];

    Modification();
    Modification(const Modification &);
    ~Modification() override;

    Modification & operator=(const Modification &);

    bool operator==(const SampleTreatment & rhs) const override;

    SampleTreatment * clone() const override;

    const String & getReagentName() const;
    void setReagentName(const String & reagent_name);

    double getMass() const;
    void setMass(double mass);

    const SpecificityType & getSpecificityType() const;
    void setSpecificityType(const SpecificityType & specificity_type);

    const String & getAffectedAminoAcids() const;
    void setAffectedAminoAcids(const String & affected_amino_acids);

protected:
    String reagent_name_;
    double mass_;
    SpecificityType specificity_type_;
    String affected_amino_acids_;
  };
} // namespace OpenMS