PeptideHit.h

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//                   OpenMS -- Open-Source Mass Spectrometry
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// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
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// $Maintainer: Nico Pfeifer $
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#ifndef OPENMS_METADATA_PEPTIDEHIT_H
#define OPENMS_METADATA_PEPTIDEHIT_H

#include <vector>

#include <OpenMS/CONCEPT/Types.h>
#include <OpenMS/DATASTRUCTURES/String.h>
#include <OpenMS/METADATA/MetaInfoInterface.h>
#include <OpenMS/CHEMISTRY/AASequence.h>

namespace OpenMS
{
  class OPENMS_DLLAPI PeptideHit :
    public MetaInfoInterface
  {
public:



    class OPENMS_DLLAPI ScoreMore
    {
public:
      template <typename Arg>
      bool operator()(const Arg & a, const Arg & b)
      {
        return a.getScore() > b.getScore();
      }

    };

    class OPENMS_DLLAPI ScoreLess
    {
public:
      template <typename Arg>
      bool operator()(const Arg & a, const Arg & b)
      {
        return a.getScore() < b.getScore();
      }

    };


    PeptideHit();

    PeptideHit(DoubleReal score,
               UInt rank,
               Int charge,
               const AASequence & sequence);

    PeptideHit(const PeptideHit & source);

    virtual ~PeptideHit();

    PeptideHit & operator=(const PeptideHit & source);

    bool operator==(const PeptideHit & rhs) const;

    bool operator!=(const PeptideHit & rhs) const;


    DoubleReal getScore() const;

    UInt getRank() const;

    const AASequence & getSequence() const;

    Int getCharge() const;

    const std::vector<String> & getProteinAccessions() const;

    void setProteinAccessions(const std::vector<String> & accessions);

    void setScore(DoubleReal score);

    void setRank(UInt newrank);

    void setSequence(const AASequence & sequence);

    void setCharge(Int charge);

    void addProteinAccession(const String & accession);

    void setAABefore(char acid);
    char getAABefore() const;

    void setAAAfter(char acid);
    char getAAAfter() const;




protected:
    DoubleReal score_;          
    UInt rank_;                         
    Int charge_;         
    AASequence sequence_;                               
    char aa_before_;     
    char aa_after_;     
    std::vector<String> corresponding_protein_accessions_;     

  };

} // namespace OpenMS

#endif // OPENMS_METADATA_PEPTIDEHIT_H