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PepNovoInfile.h (Maintainer: Martin Langwisch)

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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: Martin Langwisch $
00025 // --------------------------------------------------------------------------
00026 
00027 #ifndef OPENMS_FORMAT_PEPNOVOINFILE_H
00028 #define OPENMS_FORMAT_PEPNOVOINFILE_H
00029 
00030 #include <OpenMS/DATASTRUCTURES/String.h>
00031 
00032 #include <map>
00033 
00034 
00035 namespace OpenMS
00036 {
00044   class PepNovoInfile
00045   {
00046     public:
00048       PepNovoInfile();
00049 
00051       PepNovoInfile(const PepNovoInfile& pepnovo_infile);
00052 
00054       virtual ~PepNovoInfile();
00055 
00057       PepNovoInfile& operator=(const PepNovoInfile& pepnovo_infile);
00058 
00060       bool operator==(const PepNovoInfile& pepnovo_infile) const;
00061 
00063       String store(const String& filename) throw (Exception::UnableToCreateFile);
00064 
00066       void handlePTMs(const String& modification_line, const String& modifications_filename, const bool monoisotopic) throw (Exception::FileNotReadable, Exception::FileNotFound, Exception::ParseError);
00067 
00069       const std::map< String, std::vector< String > >& getModifications() const;
00070 
00071     private:
00072       std::map< String, std::vector< String > > PTMname_residues_mass_type_;
00073   };
00074 
00075 } // namespace OpenMS
00076 
00077 #endif // OPENMS_FORMAT_PEPNOVOINFILE_H

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