OpenMS  2.5.0
SvmTheoreticalSpectrumGeneratorSet.h
Go to the documentation of this file.
1 // --------------------------------------------------------------------------
2 // OpenMS -- Open-Source Mass Spectrometry
3 // --------------------------------------------------------------------------
4 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
5 // ETH Zurich, and Freie Universitaet Berlin 2002-2020.
6 //
7 // This software is released under a three-clause BSD license:
8 // * Redistributions of source code must retain the above copyright
9 // notice, this list of conditions and the following disclaimer.
10 // * Redistributions in binary form must reproduce the above copyright
11 // notice, this list of conditions and the following disclaimer in the
12 // documentation and/or other materials provided with the distribution.
13 // * Neither the name of any author or any participating institution
14 // may be used to endorse or promote products derived from this software
15 // without specific prior written permission.
16 // For a full list of authors, refer to the file AUTHORS.
17 // --------------------------------------------------------------------------
18 // THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
19 // AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
20 // IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
21 // ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
22 // INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
23 // EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
24 // PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
25 // OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
26 // WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
27 // OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
28 // ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
29 //
30 // --------------------------------------------------------------------------
31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Sandro Andreotti $
33 // --------------------------------------------------------------------------
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:46
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:113
OpenMS::MSSpectrum
The representation of a 1D spectrum.
Definition: MSSpectrum.h:67
StandardTypes.h
MSSpectrum.h