libpappsomspp
Library for mass spectrometry
xicpeptidefragmentionnaturalisotope.h
Go to the documentation of this file.
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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 MassChroqPRM.
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* *
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* * MassChroqPRM 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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* * MassChroqPRM 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 MassChroqPRM. 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 "
xicpeptidefragmention.h
"
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#include "../peptide/peptidenaturalisotopeaverage.h"
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namespace
pappso
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{
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class
XicPeptideFragmentIonNaturalIsotope
:
public
QualifiedXic
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{
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private
:
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PeptideNaturalIsotopeAverageSp
msp_naturalIsotopeAverage
;
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PeptideFragmentIonSp
msp_peptideFragmentIon
;
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public
:
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XicPeptideFragmentIonNaturalIsotope
(
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const
MsRunId
&msrun_id,
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const
PeptideNaturalIsotopeAverageSp
&naturalIsotopeAverageSp,
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const
PeptideFragmentIonSp
&peptideFragmentIonSp);
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XicPeptideFragmentIonNaturalIsotope
(
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const
XicPeptideFragmentIonNaturalIsotope
&other);
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unsigned
int
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getCharge
()
const
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{
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return
msp_naturalIsotopeAverage
.get()->getCharge();
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};
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const
PeptideNaturalIsotopeAverageSp
&
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getPeptideNaturalIsotopeAverageSp
()
const
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{
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return
msp_naturalIsotopeAverage
;
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};
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const
PeptideFragmentIonSp
&
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getPeptideFragmentIonSp
()
const
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{
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return
msp_peptideFragmentIon
;
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};
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~XicPeptideFragmentIonNaturalIsotope
();
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};
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}
// namespace pappso
pappso::XicPeptideFragmentIonNaturalIsotope::getPeptideNaturalIsotopeAverageSp
const PeptideNaturalIsotopeAverageSp & getPeptideNaturalIsotopeAverageSp() const
Definition:
xicpeptidefragmentionnaturalisotope.h:57
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition:
aa.cpp:39
pappso::XicPeptideFragmentIonNaturalIsotope::getCharge
unsigned int getCharge() const
Definition:
xicpeptidefragmentionnaturalisotope.h:51
xicpeptidefragmention.h
pappso::PeptideFragmentIonSp
std::shared_ptr< const PeptideFragmentIon > PeptideFragmentIonSp
Definition:
peptidefragmention.h:65
pappso::MsRunId
MS run identity MsRunId identifies an MS run with a unique ID (XmlId) and contains eventually informa...
Definition:
msrunid.h:74
pappso::XicPeptideFragmentIonNaturalIsotope::msp_naturalIsotopeAverage
PeptideNaturalIsotopeAverageSp msp_naturalIsotopeAverage
Definition:
xicpeptidefragmentionnaturalisotope.h:38
pappso::XicPeptideFragmentIonNaturalIsotope::XicPeptideFragmentIonNaturalIsotope
XicPeptideFragmentIonNaturalIsotope(const MsRunId &msrun_id, const PeptideNaturalIsotopeAverageSp &naturalIsotopeAverageSp, const PeptideFragmentIonSp &peptideFragmentIonSp)
Definition:
xicpeptidefragmentionnaturalisotope.cpp:29
pappso::XicPeptideFragmentIonNaturalIsotope::getPeptideFragmentIonSp
const PeptideFragmentIonSp & getPeptideFragmentIonSp() const
Definition:
xicpeptidefragmentionnaturalisotope.h:63
pappso::QualifiedXic
Definition:
qualifiedxic.h:45
pappso::XicPeptideFragmentIonNaturalIsotope
Definition:
xicpeptidefragmentionnaturalisotope.h:36
pappso::XicPeptideFragmentIonNaturalIsotope::~XicPeptideFragmentIonNaturalIsotope
~XicPeptideFragmentIonNaturalIsotope()
Definition:
xicpeptidefragmentionnaturalisotope.cpp:51
pappso::XicPeptideFragmentIonNaturalIsotope::msp_peptideFragmentIon
PeptideFragmentIonSp msp_peptideFragmentIon
Definition:
xicpeptidefragmentionnaturalisotope.h:39
pappso::PeptideNaturalIsotopeAverageSp
std::shared_ptr< const PeptideNaturalIsotopeAverage > PeptideNaturalIsotopeAverageSp
Definition:
peptidenaturalisotopeaverage.h:58
pappsomspp
xic
xicpeptidefragmentionnaturalisotope.h
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