morpheusscore.h
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/**
* \file pappsomspp/psm/morpheusscore.h
* \date 16/7/2016
* \author Olivier Langella
* \brief computation of Morpheus score
* https://github.com/cwenger/Morpheus/blob/master/Morpheus/Morpheus/PeptideSpectrumMatch.cs
*/
/*******************************************************************************
* Copyright (c) 2016 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
******************************************************************************/
#pragma once
#include "../../massspectrum/massspectrum.h"
#include "../../peptide/peptide.h"
#include "../../peptide/peptiderawfragmentmasses.h"
namespace pappso
{
class PMSPP_LIB_DECL MorpheusScore
{
public:
MorpheusScore(const MassSpectrum &spectrum,
pappso::PeptideSp peptideSp,
unsigned int parent_charge,
PrecisionPtr precision,
std::vector<PeptideIon> ion_list,
RawFragmentationMode fragmentation_mode);
~MorpheusScore();
pappso::pappso_double getMorpheusScore() const;
private:
pappso::pappso_double _morpheus_score;
};
} // namespace pappso
pappso::MassSpectrum
Class to represent a mass spectrum.
Definition: massspectrum.h:71
pappso::MorpheusScore
Definition: morpheusscore.h:41
pappso::MorpheusScore::_morpheus_score
pappso::pappso_double _morpheus_score
Definition: morpheusscore.h:54
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
pappso::RawFragmentationMode
RawFragmentationMode
Definition: peptiderawfragmentmasses.h:43