ProteinHit.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:
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//  * Redistributions in binary form must reproduce the above copyright
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//    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
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// $Maintainer: Timo Sachsenberg $
// $Authors: $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <vector>
#include <functional>
#include <set>
#include <map>
 
#include <OpenMS/CHEMISTRY/ResidueModification.h>
#include <OpenMS/CONCEPT/Types.h>
#include <OpenMS/DATASTRUCTURES/String.h>
#include <OpenMS/METADATA/MetaInfoInterface.h>
 
namespace OpenMS
{
  class OPENMS_DLLAPI ProteinHit :
    public MetaInfoInterface
  {
public:
    static const double COVERAGE_UNKNOWN; // == -1
 
 
    class OPENMS_DLLAPI ProteinHitAccessionHash
    {
    public:
      size_t operator()(const ProteinHit & p)
      {
        return std::hash<std::string>{}(p.getAccession());
      }
 
    };
    class OPENMS_DLLAPI ProteinHitPtrAccessionHash
    {
    public:
      size_t operator()(const ProteinHit * p)
      {
        return std::hash<std::string>{}(p->getAccession());
      }
 
    };
 
 
    class OPENMS_DLLAPI ScoreMore
    {
public:
      template <typename Arg>
      bool operator()(const Arg & a, const Arg & b)
      {
#pragma clang diagnostic push
#pragma clang diagnostic ignored "-Wfloat-equal"
        if (a.getScore() != b.getScore())
#pragma clang diagnostic pop
        {
          return a.getScore() > b.getScore();
        }
        return a.getAccession() > b.getAccession();
      }
 
    };
 
    class OPENMS_DLLAPI ScoreLess
    {
public:
      template <typename Arg>
      bool operator()(const Arg & a, const Arg & b)
      {
#pragma clang diagnostic push
#pragma clang diagnostic ignored "-Wfloat-equal"
        if (a.getScore() != b.getScore())
#pragma clang diagnostic pop
        {
          return a.getScore() < b.getScore();
        }
        return a.getAccession() < b.getAccession();
      }
 
    };
 
 
    ProteinHit();
 
    ProteinHit(double score, UInt rank, String accession, String sequence);
 
    ProteinHit(const ProteinHit &) = default;
 
    ProteinHit(ProteinHit&&) = default;
 
 
    ProteinHit & operator=(const ProteinHit &) = default;
 
    ProteinHit& operator=(ProteinHit&&) = default; // TODO: add noexcept (gcc 4.8 bug)
 
    ProteinHit & operator=(const MetaInfoInterface & source);
 
    bool operator==(const ProteinHit & rhs) const;
 
    bool operator!=(const ProteinHit & rhs) const;
 
 
 
    double getScore() const;
 
    UInt getRank() const;
 
    const String & getSequence() const;
 
    const String & getAccession() const;
    
    String getDescription() const;
 
    double getCoverage() const;
 
    void setScore(const double score);
 
    void setRank(UInt newrank);
 
    void setSequence(const String & sequence);
 
    void setAccession(const String & accession);
 
    void setDescription(const String & description);
 
    void setCoverage(const double coverage);
 
    const std::set<std::pair<Size, ResidueModification> >& getModifications() const;
 
    void setModifications(std::set<std::pair<Size, ResidueModification> >& mods);
 
protected:
    double score_;        
    UInt rank_;          
    String accession_;   
    String sequence_;    
    double coverage_;    
    std::set<std::pair<Size, ResidueModification> > modifications_; 
  };
 
} // namespace OpenMS