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 
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  virtual ~PeakIonMatch();
47 
48  virtual const PeptideFragmentIonSp &
50  {
51  return _ion_sp;
52  };
53 
54  const DataPoint &
55  getPeak() const
56  {
57  return _peak;
58  };
59 
60  unsigned int
61  getCharge() const
62  {
63  return _charge;
64  };
65 
68  {
69  return _ion_sp.get()->getPeptideIonType();
70  };
73  {
74  return _ion_sp.get()
75  ->getPeptideFragmentSp()
76  .get()
77  ->getPeptideIonDirection();
78  };
79 
80  private:
83  unsigned int _charge;
84 };
85 } // namespace pappso
PMSPP_LIB_DECL
#define PMSPP_LIB_DECL
Definition: exportinmportconfig.h:14
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition: aa.cpp:39
pappso::PeakIonMatch::getCharge
unsigned int getCharge() const
Definition: peakionmatch.h:61
pappso::PeakIonMatch::getPeptideFragmentIonSp
virtual const PeptideFragmentIonSp & getPeptideFragmentIonSp() const
Definition: peakionmatch.h:49
pappso::PeakIonMatch::getPeak
const DataPoint & getPeak() const
Definition: peakionmatch.h:55
pappso::DataPoint
Definition: datapoint.h:21
pappso::PeakIonMatch::_ion_sp
PeptideFragmentIonSp _ion_sp
Definition: peakionmatch.h:82
pappso::PeptideIon
PeptideIon
PeptideIon enum defines all types of ions (Nter or Cter)
Definition: types.h:351
pappso::PeptideFragmentIonSp
std::shared_ptr< const PeptideFragmentIon > PeptideFragmentIonSp
Definition: peptidefragmention.h:44
pappso::PeakIonMatch::getPeptideIonDirection
PeptideDirection getPeptideIonDirection() const
Definition: peakionmatch.h:72
pappso::PeakIonMatch::_charge
unsigned int _charge
Definition: peakionmatch.h:83
pappso::PeakIonMatch::getPeptideIonType
PeptideIon getPeptideIonType() const
Definition: peakionmatch.h:67
pappso::PeptideDirection
PeptideDirection
Definition: peptide.h:46
pappso::PeakIonMatch::_peak
DataPoint _peak
Definition: peakionmatch.h:78
pappso::PeakIonMatch
Definition: peakionmatch.h:40