libpappsomspp
Library for mass spectrometry
ion.cpp
Go to the documentation of this file.
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/**
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* \file pappsomspp/peptide/ion.cpp
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* \date 10/3/2015
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* \author Olivier Langella
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* \brief ion interface
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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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#include "
ion.h
"
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#include "../pappsoexception.h"
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namespace
pappso
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{
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Ion::Ion
()
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{
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}
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Ion::~Ion
()
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{
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}
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pappso_double
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Ion::getMz
(
unsigned
int
charge)
const
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{
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if
(charge == 0)
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{
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throw
PappsoException
(
"charge == 0"
);
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}
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return
((
getMass
() + (
MHPLUS
* charge)) / charge);
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}
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}
// namespace pappso
pappso::pappso_double
double pappso_double
A type definition for doubles.
Definition:
types.h:48
pappso::MHPLUS
const pappso_double MHPLUS(1.007276466879)
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks
Definition:
aa.cpp:39
pappso::Ion::getMz
virtual pappso_double getMz(unsigned int charge) const final
Definition:
ion.cpp:45
pappso::Ion::Ion
Ion()
Definition:
ion.cpp:36
pappso::Ion::getMass
virtual pappso_double getMass() const =0
pappso::Ion::~Ion
~Ion()
Definition:
ion.cpp:40
ion.h
ion interface
pappso::PappsoException
Definition:
pappsoexception.h:42
pappsomspp
peptide
ion.cpp
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