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peakionmatch.h
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/**
* \file pappsomspp/psm/peakionmatch.h
* \date 4/4/2015
* \author Olivier Langella
* \brief associate a peak and a peptide + charge
*/
/*******************************************************************************
* Copyright (c) 2015 Olivier Langella <Olivier.Langella@moulon.inra.fr>.
*
* This file is part of the PAPPSOms++ library.
*
* PAPPSOms++ is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* PAPPSOms++ is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with PAPPSOms++. If not, see <http://www.gnu.org/licenses/>.
*
* Contributors:
* Olivier Langella <Olivier.Langella@moulon.inra.fr> - initial API and
*implementation
******************************************************************************/
#pragma once
#include "../exportinmportconfig.h"
#include "../massspectrum/massspectrum.h"
#include "../peptide/peptidefragmention.h"
namespace pappso
{
class PMSPP_LIB_DECL PeakIonMatch
{
public:
PeakIonMatch(const DataPoint &peak,
const PeptideFragmentIonSp &ion_sp,
unsigned int charge);
PeakIonMatch(const PeakIonMatch &other);
PeakIonMatch(PeakIonMatch &&other);
virtual ~PeakIonMatch();
PeakIonMatch &operator=(const PeakIonMatch &other);
virtual const PeptideFragmentIonSp &getPeptideFragmentIonSp() const;
const DataPoint &getPeak() const;
unsigned int getCharge() const;
PeptideIon getPeptideIonType() const;
PeptideDirection getPeptideIonDirection() const;
virtual QString toString() const;
private:
DataPoint _peak;
PeptideFragmentIonSp _ion_sp;
unsigned int _charge;
};
} // namespace pappso
pappso::PeakIonMatch
Definition peakionmatch.h:40
pappso::PeakIonMatch::_ion_sp
PeptideFragmentIonSp _ion_sp
Definition peakionmatch.h:65
pappso::PeakIonMatch::_charge
unsigned int _charge
Definition peakionmatch.h:66
pappso::PeakIonMatch::_peak
DataPoint _peak
Definition peakionmatch.h:64
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::PeptideIon
PeptideIon
PeptideIon enum defines all types of ions (Nter or Cter)
Definition types.h:432
pappso::getPeptideIonDirection
PeptideDirection getPeptideIonDirection(PeptideIon ion_type)
get the direction of a peptide ion
Definition peptide.cpp:70
pappso::PeptideFragmentIonSp
std::shared_ptr< const PeptideFragmentIon > PeptideFragmentIonSp
Definition peptidefragmention.h:46
pappso::PeptideDirection
PeptideDirection
Definition peptide.h:46
pappso::DataPoint
Definition datapoint.h:22