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ion.cpp
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/**
* \file pappsomspp/peptide/ion.cpp
* \date 10/3/2015
* \author Olivier Langella
* \brief ion interface
*/
/*******************************************************************************
* Copyright (c) 2015 Olivier Langella <Olivier.Langella@moulon.inra.fr>.
*
* This file is part of the PAPPSOms++ library.
*
* PAPPSOms++ 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.
*
* PAPPSOms++ 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 PAPPSOms++. If not, see <http://www.gnu.org/licenses/>.
*
* Contributors:
* Olivier Langella <Olivier.Langella@moulon.inra.fr> - initial API and
*implementation
******************************************************************************/
#include "ion.h"
#include "pappsomspp/core/pappsoexception.h"
namespace pappso
{
Ion::Ion()
{
}
Ion::~Ion()
{
}
pappso_double
Ion::getMz(unsigned int charge) const
{
if(charge == 0)
{
throw PappsoException("charge == 0");
}
return ((getMass() + (MHPLUS * charge)) / charge);
}
} // namespace pappso
pappso::Ion::getMass
virtual pappso_double getMass() const =0
pappso::Ion::~Ion
~Ion()
Definition ion.cpp:40
pappso::Ion::Ion
Ion()
Definition ion.cpp:36
pappso::Ion::getMz
virtual pappso_double getMz(unsigned int charge) const final
Definition ion.cpp:45
pappso::PappsoException
Definition pappsoexception.h:41
ion.h
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition aa.cpp:39
pappso::MHPLUS
const pappso_double MHPLUS(1.007276466879)
pappso::pappso_double
double pappso_double
A type definition for doubles.
Definition types.h:60
pappsoexception.h