xicpeptidefragmentionnaturalisotope.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 "xicpeptidefragmention.h"
#include "../peptide/peptidenaturalisotopeaverage.h"
namespace pappso
{
class XicPeptideFragmentIonNaturalIsotope : public QualifiedXic
{
private:
PeptideNaturalIsotopeAverageSp msp_naturalIsotopeAverage;
PeptideFragmentIonSp msp_peptideFragmentIon;
public:
XicPeptideFragmentIonNaturalIsotope(
const MsRunId &msrun_id,
const PeptideNaturalIsotopeAverageSp &naturalIsotopeAverageSp,
const PeptideFragmentIonSp &peptideFragmentIonSp);
XicPeptideFragmentIonNaturalIsotope(
const XicPeptideFragmentIonNaturalIsotope &other);
unsigned int
getCharge() const
{
return msp_naturalIsotopeAverage.get()->getCharge();
};
const PeptideNaturalIsotopeAverageSp &
getPeptideNaturalIsotopeAverageSp() const
{
return msp_naturalIsotopeAverage;
};
const PeptideFragmentIonSp &
getPeptideFragmentIonSp() const
{
return msp_peptideFragmentIon;
};
~XicPeptideFragmentIonNaturalIsotope();
};
} // namespace pappso
pappso::MsRunId
MS run identity MsRunId identifies an MS run with a unique ID (XmlId) and contains eventually informa...
Definition: msrunid.h:53
pappso::QualifiedXic
Definition: qualifiedxic.h:45
pappso::XicPeptideFragmentIonNaturalIsotope
Definition: xicpeptidefragmentionnaturalisotope.h:36
pappso::XicPeptideFragmentIonNaturalIsotope::getCharge
unsigned int getCharge() const
Definition: xicpeptidefragmentionnaturalisotope.h:51
pappso::XicPeptideFragmentIonNaturalIsotope::msp_peptideFragmentIon
PeptideFragmentIonSp msp_peptideFragmentIon
Definition: xicpeptidefragmentionnaturalisotope.h:39
pappso::XicPeptideFragmentIonNaturalIsotope::msp_naturalIsotopeAverage
PeptideNaturalIsotopeAverageSp msp_naturalIsotopeAverage
Definition: xicpeptidefragmentionnaturalisotope.h:38
pappso::XicPeptideFragmentIonNaturalIsotope::getPeptideNaturalIsotopeAverageSp
const PeptideNaturalIsotopeAverageSp & getPeptideNaturalIsotopeAverageSp() const
Definition: xicpeptidefragmentionnaturalisotope.h:57
pappso::XicPeptideFragmentIonNaturalIsotope::getPeptideFragmentIonSp
const PeptideFragmentIonSp & getPeptideFragmentIonSp() const
Definition: xicpeptidefragmentionnaturalisotope.h:63
pappso::XicPeptideFragmentIonNaturalIsotope::~XicPeptideFragmentIonNaturalIsotope
~XicPeptideFragmentIonNaturalIsotope()
Definition: xicpeptidefragmentionnaturalisotope.cpp:51
pappso::XicPeptideFragmentIonNaturalIsotope::XicPeptideFragmentIonNaturalIsotope
XicPeptideFragmentIonNaturalIsotope(const MsRunId &msrun_id, const PeptideNaturalIsotopeAverageSp &naturalIsotopeAverageSp, const PeptideFragmentIonSp &peptideFragmentIonSp)
Definition: xicpeptidefragmentionnaturalisotope.cpp:29
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:44
pappso::PeptideNaturalIsotopeAverageSp
std::shared_ptr< const PeptideNaturalIsotopeAverage > PeptideNaturalIsotopeAverageSp
Definition: peptidenaturalisotopeaverage.h:37
xicpeptidefragmention.h