Home  · Classes  · Annotated Classes  · Modules  · Members  · Namespaces  · Related Pages

TheoreticalSpectrumGenerator.h (Maintainer: Andreas Bertsch)

Go to the documentation of this file.
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: Andreas Bertsch $
00025 // --------------------------------------------------------------------------
00026 
00027 #ifndef OPENMS_CHEMISTRY_THEORETICALSPECTRUMGENERATOR_H
00028 #define OPENMS_CHEMISTRY_THEORETICALSPECTRUMGENERATOR_H
00029 
00030 #include <OpenMS/KERNEL/StandardTypes.h>
00031 #include <OpenMS/DATASTRUCTURES/Param.h>
00032 #include <OpenMS/CHEMISTRY/Residue.h>
00033 #include <OpenMS/DATASTRUCTURES/DefaultParamHandler.h>
00034 
00035 namespace OpenMS
00036 {
00037   class AASequence;
00038   
00046   class TheoreticalSpectrumGenerator : public DefaultParamHandler
00047   {
00048     public:
00049     
00053 
00054       TheoreticalSpectrumGenerator();
00055 
00057       TheoreticalSpectrumGenerator(const TheoreticalSpectrumGenerator& source);
00058 
00060       virtual ~TheoreticalSpectrumGenerator();
00062       
00064       TheoreticalSpectrumGenerator& operator = (const TheoreticalSpectrumGenerator& tsg);
00065 
00069 
00070       void getSpectrum(PeakSpectrum& spec, const AASequence& peptide, Int charge = 1);
00071 
00073       void addPeaks(PeakSpectrum& spectrum, const AASequence& peptide, Residue::ResidueType res_type, Int charge = 1);
00074 
00076       void addPrecursorPeaks(PeakSpectrum& spec, const AASequence& peptide, Int charge = 1);
00078 
00079     private:
00080       
00081       Peak1D p_;
00082     };
00083 }
00084 
00085 #endif

Generated Tue Apr 1 15:36:38 2008 -- using doxygen 1.5.4 OpenMS / TOPP 1.1