| OpenMS 2.5.0

SvmTheoreticalSpectrumGeneratorSet.h
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2 // OpenMS -- Open-Source Mass Spectrometry
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30 // --------------------------------------------------------------------------
31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Sandro Andreotti $
33 // --------------------------------------------------------------------------
34
35
36 #pragma once
37
38 #include <OpenMS/KERNEL/StandardDeclarations.h>
39 #include <OpenMS/KERNEL/StandardTypes.h>
40 #include <OpenMS/KERNEL/MSSpectrum.h>
41 #include <OpenMS/KERNEL/MSExperiment.h>
42
43 #include <OpenMS/KERNEL/StandardTypes.h>
44 #include <OpenMS/CHEMISTRY/SvmTheoreticalSpectrumGenerator.h>
45
46 namespace OpenMS
47 {
61 class OPENMS_DLLAPI SvmTheoreticalSpectrumGeneratorSet
62 {
63 public:
64
68 SvmTheoreticalSpectrumGeneratorSet();
70
72 SvmTheoreticalSpectrumGeneratorSet(const SvmTheoreticalSpectrumGeneratorSet & source);
73
75 virtual ~SvmTheoreticalSpectrumGeneratorSet();
77
79 SvmTheoreticalSpectrumGeneratorSet & operator=(const SvmTheoreticalSpectrumGeneratorSet & tsg);
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
91 SvmTheoreticalSpectrumGenerator & getSvmModel(Size);
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
StandardDeclarations.h
StandardTypes.h
OpenMS::AASequence
Representation of a peptide/protein sequence.
Definition: AASequence.h:113
OpenMS::MSSpectrum
The representation of a 1D spectrum.
Definition: MSSpectrum.h:67
OpenMS::SvmTheoreticalSpectrumGenerator
Simulates MS2 spectra with support vector machines.
Definition: SvmTheoreticalSpectrumGenerator.h:71
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
MSExperiment.h
MSSpectrum.h
OpenMS::SvmTheoreticalSpectrumGeneratorSet::simulators_
std::map< Size, SvmTheoreticalSpectrumGenerator > simulators_
Definition: SvmTheoreticalSpectrumGeneratorSet.h:95
OpenMS::SvmTheoreticalSpectrumGeneratorSet
Loads SvmTheoreticalSpectrumGenerator instances for different charges.
Definition: SvmTheoreticalSpectrumGeneratorSet.h:61
SvmTheoreticalSpectrumGenerator.h
OpenMS::Size
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127