00001 // -*- Mode: C++; tab-width: 2; -*- 00002 // vi: set ts=2: 00003 // 00004 // -------------------------------------------------------------------------- 00005 // OpenMS Mass Spectrometry Framework 00006 // -------------------------------------------------------------------------- 00007 // Copyright (C) 2003-2008 -- Oliver Kohlbacher, Knut Reinert 00008 // 00009 // This library is free software; you can redistribute it and/or 00010 // modify it under the terms of the GNU Lesser General Public 00011 // License as published by the Free Software Foundation; either 00012 // version 2.1 of the License, or (at your option) any later version. 00013 // 00014 // This library is distributed in the hope that it will be useful, 00015 // but WITHOUT ANY WARRANTY; without even the implied warranty of 00016 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU 00017 // Lesser General Public License for more details. 00018 // 00019 // You should have received a copy of the GNU Lesser General Public 00020 // License along with this library; if not, write to the Free Software 00021 // Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA 00022 // 00023 // -------------------------------------------------------------------------- 00024 // $Maintainer: Nico Pfeifer $ 00025 // -------------------------------------------------------------------------- 00026 00027 #ifndef OPENMS_METADATA_PEPTIDEHIT_H 00028 #define OPENMS_METADATA_PEPTIDEHIT_H 00029 00030 #include <vector> 00031 00032 #include <OpenMS/CONCEPT/Types.h> 00033 #include <OpenMS/DATASTRUCTURES/String.h> 00034 #include <OpenMS/METADATA/MetaInfoInterface.h> 00035 00036 namespace OpenMS 00037 { 00045 class PeptideHit 00046 : public MetaInfoInterface 00047 { 00048 public: 00049 00051 00052 00053 class ScoreMore 00054 { 00055 public: 00056 template<typename Arg> 00057 bool operator()(const Arg& a, const Arg& b) 00058 { 00059 return a.getScore() > b.getScore(); 00060 } 00061 }; 00062 00064 class ScoreLess 00065 { 00066 public: 00067 template<typename Arg> 00068 bool operator()(const Arg& a, const Arg& b) 00069 { 00070 return a.getScore() < b.getScore(); 00071 } 00072 }; 00074 00077 00078 PeptideHit(); 00079 00081 PeptideHit(DoubleReal score, 00082 UInt rank, 00083 Int charge, 00084 const String& sequence); 00085 00087 PeptideHit(const PeptideHit& source); 00088 00090 virtual ~PeptideHit(); 00092 00094 PeptideHit& operator=(const PeptideHit& source); 00095 00097 bool operator == (const PeptideHit& rhs) const; 00098 00100 bool operator != (const PeptideHit& rhs) const; 00101 00105 00106 Real getScore() const; 00107 00109 UInt getRank() const; 00110 00112 String getSequence() const; 00113 00115 Int getCharge() const; 00116 00118 const std::vector<String>& getProteinAccessions() const; 00119 00121 void setProteinAccessions(const std::vector<String>& accessions); 00122 00124 void setScore(DoubleReal score); 00125 00127 void setRank(UInt newrank); 00128 00130 void setSequence(const String& sequence); 00131 00133 void setCharge(Int charge); 00134 00136 void addProteinAccession(const String& accession); 00137 00139 void setAABefore(char acid); 00141 char getAABefore() const; 00142 00144 void setAAAfter(char acid); 00146 char getAAAfter() const; 00147 00148 00150 00151 00152 protected: 00153 Real score_; 00154 UInt rank_; 00155 Int charge_; 00156 String sequence_; 00157 char aa_before_; 00158 char aa_after_; 00159 std::vector<String> corresponding_protein_accessions_; 00160 00161 }; 00162 00163 } // namespace OpenMS 00164 00165 #endif // OPENMS_METADATA_PEPTIDEHIT_H
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