libpappsomspp
Library for mass spectrometry
peakionmatch.h
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1/**
2 * \file pappsomspp/psm/peakionmatch.h
3 * \date 4/4/2015
4 * \author Olivier Langella
5 * \brief associate a peak and a peptide + charge
6 */
7
8/*******************************************************************************
9 * Copyright (c) 2015 Olivier Langella <Olivier.Langella@moulon.inra.fr>.
10 *
11 * This file is part of the PAPPSOms++ library.
12 *
13 * PAPPSOms++ is free software: you can redistribute it and/or modify
14 * it under the terms of the GNU General Public License as published by
15 * the Free Software Foundation, either version 3 of the License, or
16 * (at your option) any later version.
17 *
18 * PAPPSOms++ is distributed in the hope that it will be useful,
19 * but WITHOUT ANY WARRANTY; without even the implied warranty of
20 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
21 * GNU General Public License for more details.
22 *
23 * You should have received a copy of the GNU General Public License
24 * along with PAPPSOms++. If not, see <http://www.gnu.org/licenses/>.
25 *
26 * Contributors:
27 * Olivier Langella <Olivier.Langella@moulon.inra.fr> - initial API and
28 *implementation
29 ******************************************************************************/
30
31#pragma once
32
33#include "../exportinmportconfig.h"
34#include "../massspectrum/massspectrum.h"
35#include "../peptide/peptidefragmention.h"
36
37namespace pappso
38{
40{
41 public:
42 PeakIonMatch(const DataPoint &peak,
43 const PeptideFragmentIonSp &ion_sp,
44 unsigned int charge);
45 PeakIonMatch(const PeakIonMatch &other);
47 virtual ~PeakIonMatch();
48
49 PeakIonMatch &operator=(const PeakIonMatch &other);
50
51 virtual const PeptideFragmentIonSp &getPeptideFragmentIonSp() const;
52
53 const DataPoint &getPeak() const;
54
55 unsigned int getCharge() const;
56
57 PeptideIon getPeptideIonType() const;
59
60 virtual QString toString() const;
61
62
63 private:
66 unsigned int _charge;
67};
68} // namespace pappso
PeptideFragmentIonSp _ion_sp
Definition: peakionmatch.h:65
unsigned int _charge
Definition: peakionmatch.h:66
#define PMSPP_LIB_DECL
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition: aa.cpp:39
PeptideIon
PeptideIon enum defines all types of ions (Nter or Cter)
Definition: types.h:425
PeptideDirection getPeptideIonDirection(PeptideIon ion_type)
get the direction of a peptide ion
Definition: peptide.cpp:70
std::shared_ptr< const PeptideFragmentIon > PeptideFragmentIonSp
PeptideDirection
Definition: peptide.h:46