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peakionisotopematch.h
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/*
* *******************************************************************************
* * Copyright (c) 2015 Olivier Langella <Olivier.Langella@moulon.inra.fr>.
* *
* * This file is part of MassChroqPRM.
* *
* * MassChroqPRM 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.
* *
* * MassChroqPRM 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 MassChroqPRM. 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 "peakionmatch.h"
#include "../peptide/peptidenaturalisotopeaverage.h"
namespace pappso
{
class PeakIonIsotopeMatch;
typedef std::shared_ptr<const PeakIonIsotopeMatch> PeakIonIsotopeMatchCstSPtr;
/** @brief find the first element containing the complementary ion
* complementary ion of y1 is b(n-1) for instance
* */
PMSPP_LIB_DECL std::vector<PeakIonIsotopeMatch>::iterator
findComplementIonType(std::vector<PeakIonIsotopeMatch>::iterator begin,
std::vector<PeakIonIsotopeMatch>::iterator end,
const PeakIonIsotopeMatch &peak_ion,
std::size_t peptide_size);
class PMSPP_LIB_DECL PeakIonIsotopeMatch : public PeakIonMatch
{
public:
PeakIonIsotopeMatch(
const DataPoint &peak,
const PeptideNaturalIsotopeAverageSp &naturalIsotopeAverageSp,
const PeptideFragmentIonSp &ion_sp);
PeakIonIsotopeMatch(const PeakIonIsotopeMatch &other);
PeakIonIsotopeMatch(PeakIonIsotopeMatch &&other);
virtual ~PeakIonIsotopeMatch();
virtual const PeptideNaturalIsotopeAverageSp &
getPeptideNaturalIsotopeAverageSp() const;
PeakIonIsotopeMatch &operator=(const PeakIonIsotopeMatch &other);
virtual QString toString() const;
private:
PeptideNaturalIsotopeAverageSp _naturalIsotopeAverageSp;
};
} // namespace pappso
Q_DECLARE_METATYPE(pappso::PeakIonIsotopeMatchCstSPtr);
pappso::PeakIonIsotopeMatch
Definition peakionisotopematch.h:47
pappso::PeakIonIsotopeMatch::_naturalIsotopeAverageSp
PeptideNaturalIsotopeAverageSp _naturalIsotopeAverageSp
Definition peakionisotopematch.h:65
pappso::PeakIonMatch
Definition peakionmatch.h:40
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::PeptideFragmentIonSp
std::shared_ptr< const PeptideFragmentIon > PeptideFragmentIonSp
Definition peptidefragmention.h:46
pappso::PeptideNaturalIsotopeAverageSp
std::shared_ptr< const PeptideNaturalIsotopeAverage > PeptideNaturalIsotopeAverageSp
Definition peptidenaturalisotopeaverage.h:40
pappso::PeakIonIsotopeMatchCstSPtr
std::shared_ptr< const PeakIonIsotopeMatch > PeakIonIsotopeMatchCstSPtr
Definition peakionisotopematch.h:34
pappso::findComplementIonType
std::vector< PeakIonIsotopeMatch >::iterator findComplementIonType(std::vector< PeakIonIsotopeMatch >::iterator begin, std::vector< PeakIonIsotopeMatch >::iterator end, const PeakIonIsotopeMatch &peak_ion, std::size_t peptide_size)
find the first element containing the complementary ion complementary ion of y1 is b(n-1) for instanc...
Definition peakionisotopematch.cpp:30
Q_DECLARE_METATYPE
Q_DECLARE_METATYPE(pappso::PeakIonIsotopeMatchCstSPtr)
peakionmatch.h
associate a peak and a peptide + charge
pappso::DataPoint
Definition datapoint.h:22