Modification.h

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// Copyright (c) 2002-2023, The OpenMS Team -- EKU Tuebingen, ETH Zurich, and FU Berlin
// SPDX-License-Identifier: BSD-3-Clause
//
// --------------------------------------------------------------------------
// $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 &) = default;
    Modification(Modification&&) = default;
    ~Modification() override;
 
    Modification & operator=(const Modification &) = default;
    Modification& operator=(Modification&&) & = default;
 
    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