OpenMS  3.0.0
SvmTheoreticalSpectrumGeneratorSet.h
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31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Sandro Andreotti $
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34 
35 
36 #pragma once
37 
42 
45 
46 namespace OpenMS
47 {
62  {
63 public:
64 
70 
73 
77 
80 
82  void simulate(PeakSpectrum & spectrum, const AASequence & peptide, boost::random::mt19937_64& rng, Size precursor_charge);
83 
85  void load(String);
86 
88  void getSupportedCharges(std::set<Size> & charges);
89 
92 
93 protected:
94  //map containing the simulator for each charge variant
95  std::map<Size, SvmTheoreticalSpectrumGenerator> simulators_;
96 
97  };
98 
99 
100 }
101 
102 
103 
OpenMS::String
A more convenient string class.
Definition: String.h:58
OpenMS::Size
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::SvmTheoreticalSpectrumGenerator
Simulates MS2 spectra with support vector machines.
Definition: SvmTheoreticalSpectrumGenerator.h:71
OpenMS::SvmTheoreticalSpectrumGeneratorSet::simulators_
std::map< Size, SvmTheoreticalSpectrumGenerator > simulators_
Definition: SvmTheoreticalSpectrumGeneratorSet.h:95
MSExperiment.h
OpenMS::SvmTheoreticalSpectrumGeneratorSet
Loads SvmTheoreticalSpectrumGenerator instances for different charges.
Definition: SvmTheoreticalSpectrumGeneratorSet.h:61
SvmTheoreticalSpectrumGenerator.h
StandardDeclarations.h
OpenMS::AASequence
Representation of a peptide/protein sequence.
Definition: AASequence.h:111
OpenMS::MSSpectrum
The representation of a 1D spectrum.
Definition: MSSpectrum.h:66
StandardTypes.h
MSSpectrum.h