libpappsomspp
Library for mass spectrometry
morpheusscore.h
Go to the documentation of this file.
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/**
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* \file pappsomspp/psm/morpheusscore.h
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* \date 16/7/2016
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* \author Olivier Langella
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* \brief computation of Morpheus score
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* https://github.com/cwenger/Morpheus/blob/master/Morpheus/Morpheus/PeptideSpectrumMatch.cs
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*/
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/*******************************************************************************
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* Copyright (c) 2016 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 "../../massspectrum/massspectrum.h"
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#include "../../peptide/peptide.h"
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#include "../../peptide/peptiderawfragmentmasses.h"
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namespace
pappso
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{
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class
PMSPP_LIB_DECL
MorpheusScore
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{
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public
:
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MorpheusScore
(
const
MassSpectrum
&spectrum,
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pappso::PeptideSp
peptideSp,
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unsigned
int
parent_charge,
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PrecisionPtr
precision,
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std::vector<PeptideIon> ion_list,
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RawFragmentationMode
fragmentation_mode);
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~
MorpheusScore
();
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pappso::pappso_double
getMorpheusScore()
const
;
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private
:
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pappso::pappso_double
_morpheus_score
;
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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::MorpheusScore
Definition:
morpheusscore.h:41
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
Definition:
aa.cpp:39
pappso::MassSpectrum
Class to represent a mass spectrum.
Definition:
massspectrum.h:71
pappso::MorpheusScore::_morpheus_score
pappso::pappso_double _morpheus_score
Definition:
morpheusscore.h:54
pappso::PrecisionBase
Definition:
precision.h:44
pappso::RawFragmentationMode
RawFragmentationMode
Definition:
peptiderawfragmentmasses.h:43
pappso::PeptideSp
std::shared_ptr< const Peptide > PeptideSp
Definition:
aamodification.h:47
pappsomspp
psm
morpheus
morpheusscore.h
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