libpappsomspp
Library for mass spectrometry
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correctiontree.h
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/**
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* \file pappsomspp/processing/specpeptidoms/correctiontree.h
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* \date 24/03/2025
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* \author Aurélien Berthier
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* \brief save corrections to apply
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*
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* C++ implementation of the SpecPeptidOMS algorithm described in :
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* (1) Benoist, É.; Jean, G.; Rogniaux, H.; Fertin, G.; Tessier, D. SpecPeptidOMS Directly and
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* Rapidly Aligns Mass Spectra on Whole Proteomes and Identifies Peptides That Are Not Necessarily
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* Tryptic: Implications for Peptidomics. J. Proteome Res. 2025.
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* https://doi.org/10.1021/acs.jproteome.4c00870.
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*/
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/*
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* Copyright (c) 2025 Aurélien Berthier
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* <aurelien.berthier@ls2n.fr>
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*
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* This program 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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* This program 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 this program. If not, see <http://www.gnu.org/licenses/>.
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*/
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#pragma once
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#include <vector>
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#include <memory>
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namespace
pappso
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{
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namespace
specpeptidoms
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{
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class
CorrectionTree
;
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typedef
std::shared_ptr<CorrectionTree>
CorrectionTreeSp
;
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class
CorrectionTree
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{
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public
:
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CorrectionTree
();
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~CorrectionTree
();
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void
addPeaks
(std::size_t peak1, std::size_t peak2);
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std::vector<std::vector<std::size_t>>
getPeaks
()
const
;
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private
:
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std::size_t
peak
;
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CorrectionTreeSp
msp_left
,
msp_right
;
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CorrectionTree
(std::size_t
peak
);
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};
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}
// namespace specpeptidoms
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}
// namespace pappso
pappso::specpeptidoms::CorrectionTree
Definition
correctiontree.h:45
pappso::specpeptidoms::CorrectionTree::getPeaks
std::vector< std::vector< std::size_t > > getPeaks() const
Definition
correctiontree.cpp:64
pappso::specpeptidoms::CorrectionTree::msp_left
CorrectionTreeSp msp_left
Definition
correctiontree.h:56
pappso::specpeptidoms::CorrectionTree::peak
std::size_t peak
Definition
correctiontree.h:55
pappso::specpeptidoms::CorrectionTree::CorrectionTree
CorrectionTree()
Definition
correctiontree.cpp:36
pappso::specpeptidoms::CorrectionTree::msp_right
CorrectionTreeSp msp_right
Definition
correctiontree.h:56
pappso::specpeptidoms::CorrectionTree::addPeaks
void addPeaks(std::size_t peak1, std::size_t peak2)
Definition
correctiontree.cpp:49
pappso::specpeptidoms::CorrectionTree::~CorrectionTree
~CorrectionTree()
Definition
correctiontree.cpp:44
pappso::specpeptidoms
Definition
correctiontree.h:40
pappso::specpeptidoms::CorrectionTreeSp
std::shared_ptr< CorrectionTree > CorrectionTreeSp
Definition
correctiontree.h:42
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition
aa.cpp:39
pappsomspp
core
processing
specpeptidoms
correctiontree.h
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