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 |