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 2002-2020.
//
// This software is released under a three-clause BSD license:
//  * Redistributions of source code must retain the above copyright
//    notice, this list of conditions and the following disclaimer.
//  * Redistributions in binary form must reproduce the above copyright
//    notice, this list of conditions and the following disclaimer in the
//    documentation and/or other materials provided with the distribution.
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//    may be used to endorse or promote products derived from this software
//    without specific prior written permission.
// For a full list of authors, refer to the file AUTHORS.
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// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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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 &) = 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