libpappsomspp
Library for mass spectrometry
peptidenaturalisotope.h
Go to the documentation of this file.
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/**
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* \file pappsomspp/peptide/peptidenaturalisotope.h
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* \date 8/3/2015
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* \author Olivier Langella
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* \brief peptide natural isotope model
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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 "
peptide.h
"
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#include "../exportinmportconfig.h"
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namespace
pappso
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{
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class
PeptideNaturalIsotope;
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typedef
std::shared_ptr<const PeptideNaturalIsotope>
PeptideNaturalIsotopeSp
;
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class
PMSPP_LIB_DECL
PeptideNaturalIsotope
:
public
PeptideInterface
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{
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public
:
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PeptideNaturalIsotope
(
const
PeptideInterfaceSp
&peptide,
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const
std::map<Isotope, int> &map_isotope);
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PeptideNaturalIsotope
(
const
PeptideNaturalIsotope
&other);
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~
PeptideNaturalIsotope
();
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virtual
unsigned
int
size()
const override
;
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virtual
const
QString getSequence()
const override
;
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pappso_double
getMass()
const override
;
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virtual
int
getNumberOfAtom(
AtomIsotopeSurvey
atom)
const override
;
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virtual
int
getNumberOfIsotope(
Isotope
isotope)
const override
;
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pappso_double
getIntensityRatio(
unsigned
int
charge)
const
;
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const
std::map<Isotope, int> &getIsotopeMap()
const
;
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virtual
unsigned
int
getIsotopeNumber()
const
;
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virtual
bool
isPalindrome()
const override
;
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private
:
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const
PeptideInterfaceSp
m_peptide
;
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const
std::map<Isotope, int>
m_mapIsotope
;
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pappso_double
m_ratio
;
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pappso_double
m_mass
;
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};
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}
// namespace pappso
pappso::PeptideNaturalIsotope::m_mass
pappso_double m_mass
Definition:
peptidenaturalisotope.h:73
pappso::pappso_double
double pappso_double
A type definition for doubles.
Definition:
types.h:48
pappso::PeptideNaturalIsotope::m_peptide
const PeptideInterfaceSp m_peptide
Definition:
peptidenaturalisotope.h:69
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::PeptideNaturalIsotope::m_ratio
pappso_double m_ratio
Definition:
peptidenaturalisotope.h:72
pappso::Isotope
Isotope
Definition:
types.h:91
pappso::PeptideNaturalIsotope
Definition:
peptidenaturalisotope.h:46
peptide.h
peptide model
pappso::PeptideInterfaceSp
std::shared_ptr< const PeptideInterface > PeptideInterfaceSp
Definition:
peptideinterface.h:38
pappso::PeptideInterface
Definition:
peptideinterface.h:43
pappso::PeptideNaturalIsotopeSp
std::shared_ptr< const PeptideNaturalIsotope > PeptideNaturalIsotopeSp
Definition:
peptidenaturalisotope.h:41
pappso::PeptideNaturalIsotope::m_mapIsotope
const std::map< Isotope, int > m_mapIsotope
Definition:
peptidenaturalisotope.h:71
pappso::AtomIsotopeSurvey
AtomIsotopeSurvey
Definition:
types.h:76
pappsomspp
peptide
peptidenaturalisotope.h
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