libpappsomspp
Library for mass spectrometry
xicpeptidefragmentionnaturalisotope.h
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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 
29 #include "xicpeptidefragmention.h"
30 
31 #include "../peptide/peptidenaturalisotopeaverage.h"
32 
33 namespace 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 
62  const PeptideFragmentIonSp &
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:53
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