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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