libpappsomspp
Library for mass spectrometry
peakionmatch.h
Go to the documentation of this file.
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 
37 namespace pappso
38 {
40 {
41  public:
42  PeakIonMatch(const DataPoint &peak,
43  const PeptideFragmentIonSp &ion_sp,
44  unsigned int charge);
45  PeakIonMatch(const PeakIonMatch &other);
46  PeakIonMatch(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:386
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