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SvmTheoreticalSpectrumGeneratorSet.h

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00001 // --------------------------------------------------------------------------
00002 //                   OpenMS -- Open-Source Mass Spectrometry
00003 // --------------------------------------------------------------------------
00004 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
00005 // ETH Zurich, and Freie Universitaet Berlin 2002-2012.
00006 //
00007 // This software is released under a three-clause BSD license:
00008 //  * Redistributions of source code must retain the above copyright
00009 //    notice, this list of conditions and the following disclaimer.
00010 //  * Redistributions in binary form must reproduce the above copyright
00011 //    notice, this list of conditions and the following disclaimer in the
00012 //    documentation and/or other materials provided with the distribution.
00013 //  * Neither the name of any author or any participating institution
00014 //    may be used to endorse or promote products derived from this software
00015 //    without specific prior written permission.
00016 // For a full list of authors, refer to the file AUTHORS.
00017 // --------------------------------------------------------------------------
00018 // THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
00019 // AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
00020 // IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
00021 // ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
00022 // INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
00023 // EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
00024 // PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
00025 // OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
00026 // WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
00027 // OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
00028 // ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
00029 //
00030 // --------------------------------------------------------------------------
00031 // $Maintainer: Sandro Andreotti $
00032 // $Authors: Sandro Andreotti $
00033 // --------------------------------------------------------------------------
00034 
00035 
00036 #ifndef OPENMS_CHEMISTRY_SVMTHEORETICALSPECTRUMGENERATORSET_H
00037 #define OPENMS_CHEMISTRY_SVMTHEORETICALSPECTRUMGENERATORSET_H
00038 
00039 #include <OpenMS/SIMULATION/SimTypes.h>
00040 #include <OpenMS/KERNEL/StandardTypes.h>
00041 #include <OpenMS/CHEMISTRY/SvmTheoreticalSpectrumGenerator.h>
00042 
00043 namespace OpenMS
00044 {
00058   class OPENMS_DLLAPI SvmTheoreticalSpectrumGeneratorSet
00059   {
00060 public:
00061 
00065 
00066     SvmTheoreticalSpectrumGeneratorSet();
00067 
00069     SvmTheoreticalSpectrumGeneratorSet(const SvmTheoreticalSpectrumGeneratorSet & source);
00070 
00072     virtual ~SvmTheoreticalSpectrumGeneratorSet();
00074 
00076     SvmTheoreticalSpectrumGeneratorSet & operator=(const SvmTheoreticalSpectrumGeneratorSet & tsg);
00077 
00079     void simulate(RichPeakSpectrum & spectrum, const AASequence & peptide, const gsl_rng * rng, Size precursor_charge);
00080 
00082     void load(String);
00083 
00085     void getSupportedCharges(std::set<Size> & charges);
00086 
00088     SvmTheoreticalSpectrumGenerator & getSvmModel(Size);
00089 
00090 protected:
00091     //map containing the simulator for each charge variant
00092     std::map<Size, SvmTheoreticalSpectrumGenerator> simulators_;
00093 
00094   };
00095 
00096 
00097 }
00098 
00099 
00100 
00101 #endif

OpenMS / TOPP release 1.10.0 Documentation generated on Thu Mar 7 2013 09:42:45 using doxygen 1.7.1