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: Marc Sturm $ 00025 // -------------------------------------------------------------------------- 00026 00027 #ifndef OPENMS_DATASTRUCTURES_ISOTOPECLUSTER_H 00028 #define OPENMS_DATASTRUCTURES_ISOTOPECLUSTER_H 00029 00030 #include <OpenMS/CONCEPT/Types.h> 00031 #include <vector> 00032 #include <set> 00033 00034 namespace OpenMS 00035 { 00037 struct IsotopeCluster 00038 { 00040 typedef std::pair<UInt,UInt> IndexPair; 00042 typedef std::set<IndexPair> IndexSet; 00043 00045 typedef DoubleReal ProbabilityType; 00046 00048 struct ChargedIndexSet 00049 : public IndexSet 00050 { 00051 ChargedIndexSet() : charge_(0), max_charge_score_() { } 00053 UInt charge_; 00055 ProbabilityType max_charge_score_; 00056 }; 00057 00058 IsotopeCluster() 00059 : peaks_(), 00060 scans_() 00061 { 00062 } 00064 ChargedIndexSet peaks_; 00065 00067 std::vector<UInt> scans_; 00068 }; 00069 00070 } // namespace OPENMS 00071 00072 #endif // OPENMS_DATASTRUCTURES_ISOTOPECLUSTER_H
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