libpappsomspp
Library for mass spectrometry
xicpeptidefragmentionnaturalisotope.h
Go to the documentation of this file.
1/*
2 * *******************************************************************************
3 * * Copyright (c) 2015 Olivier Langella <Olivier.Langella@moulon.inra.fr>.
4 * *
5 * * This file is part of MassChroqPRM.
6 * *
7 * * MassChroqPRM is free software: you can redistribute it and/or modify
8 * * it under the terms of the GNU General Public License as published by
9 * * the Free Software Foundation, either version 3 of the License, or
10 * * (at your option) any later version.
11 * *
12 * * MassChroqPRM is distributed in the hope that it will be useful,
13 * * but WITHOUT ANY WARRANTY; without even the implied warranty of
14 * * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
15 * * GNU General Public License for more details.
16 * *
17 * * You should have received a copy of the GNU General Public License
18 * * along with MassChroqPRM. If not, see <http://www.gnu.org/licenses/>.
19 * *
20 * * Contributors:
21 * * Olivier Langella <Olivier.Langella@moulon.inra.fr> - initial API and
22 * implementation
23 * ******************************************************************************/
24
25
26#pragma once
27
28
30
31#include "../peptide/peptidenaturalisotopeaverage.h"
32
33namespace pappso
34{
36{
37 private:
40
41 public:
43 const MsRunId &msrun_id,
44 const PeptideNaturalIsotopeAverageSp &naturalIsotopeAverageSp,
45 const PeptideFragmentIonSp &peptideFragmentIonSp);
46
49
50 unsigned int
51 getCharge() const
52 {
53 return msp_naturalIsotopeAverage.get()->getCharge();
54 };
55
58 {
60 };
61
64 {
66 };
67
69};
70
71} // namespace pappso
MS run identity MsRunId identifies an MS run with a unique ID (XmlId) and contains eventually informa...
Definition: msrunid.h:54
const PeptideNaturalIsotopeAverageSp & getPeptideNaturalIsotopeAverageSp() const
const PeptideFragmentIonSp & getPeptideFragmentIonSp() const
XicPeptideFragmentIonNaturalIsotope(const MsRunId &msrun_id, const PeptideNaturalIsotopeAverageSp &naturalIsotopeAverageSp, const PeptideFragmentIonSp &peptideFragmentIonSp)
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition: aa.cpp:39
std::shared_ptr< const PeptideFragmentIon > PeptideFragmentIonSp
std::shared_ptr< const PeptideNaturalIsotopeAverage > PeptideNaturalIsotopeAverageSp