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IsotopeCluster.h (Maintainer: Marc Sturm)

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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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