libpappsomspp
Library for mass spectrometry
peakionmatch.h
Go to the documentation of this file.
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/**
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* \file pappsomspp/psm/peakionmatch.h
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* \date 4/4/2015
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* \author Olivier Langella
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* \brief associate a peak and a peptide + charge
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*/
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/*******************************************************************************
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* Copyright (c) 2015 Olivier Langella <Olivier.Langella@moulon.inra.fr>.
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*
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* This file is part of the PAPPSOms++ library.
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*
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* PAPPSOms++ is free software: you can redistribute it and/or modify
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* it under the terms of the GNU General Public License as published by
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* the Free Software Foundation, either version 3 of the License, or
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* (at your option) any later version.
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*
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* PAPPSOms++ is distributed in the hope that it will be useful,
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* but WITHOUT ANY WARRANTY; without even the implied warranty of
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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* GNU General Public License for more details.
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*
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* You should have received a copy of the GNU General Public License
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* along with PAPPSOms++. If not, see <http://www.gnu.org/licenses/>.
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*
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* Contributors:
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* Olivier Langella <Olivier.Langella@moulon.inra.fr> - initial API and
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*implementation
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******************************************************************************/
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#pragma once
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#include "../exportinmportconfig.h"
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#include "../massspectrum/massspectrum.h"
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#include "../peptide/peptidefragmention.h"
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namespace
pappso
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{
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class
PMSPP_LIB_DECL
PeakIonMatch
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{
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public
:
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PeakIonMatch
(
const
DataPoint
&peak,
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const
PeptideFragmentIonSp
&ion_sp,
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unsigned
int
charge);
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PeakIonMatch
(
const
PeakIonMatch
&other);
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virtual
~
PeakIonMatch
();
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virtual
const
PeptideFragmentIonSp
&
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getPeptideFragmentIonSp
()
const
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{
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return
_ion_sp;
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};
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const
DataPoint
&
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getPeak
()
const
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{
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return
_peak;
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};
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unsigned
int
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getCharge
()
const
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{
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return
_charge;
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};
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PeptideIon
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getPeptideIonType
()
const
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{
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return
_ion_sp.get()->getPeptideIonType();
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};
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PeptideDirection
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getPeptideIonDirection
()
const
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{
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return
_ion_sp.get()
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->getPeptideFragmentSp()
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.get()
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->getPeptideIonDirection();
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};
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private
:
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DataPoint
_peak
;
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PeptideFragmentIonSp
_ion_sp
;
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unsigned
int
_charge
;
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};
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}
// 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
pappsomspp
psm
peakionmatch.h
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