ionisotoperatioscore.h
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/**
* \file pappsomspp/psm/experimental/ionisotoperatioscore.h
* \date 18/05/2019
* \author Olivier Langella
* \brief psm score computed using ion isotopes
*/
/*******************************************************************************
* Copyright (c) 2019 Olivier Langella <Olivier.Langella@u-psud.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/>.
*
******************************************************************************/
#pragma once
#include "../../massspectrum/massspectrum.h"
#include "../../peptide/peptide.h"
namespace pappso
{
class PMSPP_LIB_DECL IonIsotopeRatioScore
{
public:
IonIsotopeRatioScore(const MassSpectrum &spectrum,
const PeptideSp &peptide_sp,
unsigned int parent_charge,
PrecisionPtr precision,
std::vector<PeptideIon> ion_list);
virtual ~IonIsotopeRatioScore();
pappso::pappso_double getIonIsotopeRatioScore() const;
private:
pappso::pappso_double m_ionIsotopeRatioScore;
};
} // namespace pappso
pappso::IonIsotopeRatioScore
Definition: ionisotoperatioscore.h:37
pappso::IonIsotopeRatioScore::m_ionIsotopeRatioScore
pappso::pappso_double m_ionIsotopeRatioScore
Definition: ionisotoperatioscore.h:49
pappso::MassSpectrum
Class to represent a mass spectrum.
Definition: massspectrum.h:71
pappso::PrecisionBase
Definition: precision.h:44
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::PeptideSp
std::shared_ptr< const Peptide > PeptideSp
Definition: aamodification.h:47
pappso::pappso_double
double pappso_double
A type definition for doubles.
Definition: types.h:48