libpappsomspp
Library for mass spectrometry
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correctiontree.h
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1/**
2 * \file pappsomspp/processing/specpeptidoms/correctiontree.h
3 * \date 24/03/2025
4 * \author Aurélien Berthier
5 * \brief save corrections to apply
6 *
7 * C++ implementation of the SpecPeptidOMS algorithm described in :
8 * (1) Benoist, É.; Jean, G.; Rogniaux, H.; Fertin, G.; Tessier, D. SpecPeptidOMS Directly and
9 * Rapidly Aligns Mass Spectra on Whole Proteomes and Identifies Peptides That Are Not Necessarily
10 * Tryptic: Implications for Peptidomics. J. Proteome Res. 2025.
11 * https://doi.org/10.1021/acs.jproteome.4c00870.
12 */
13
14/*
15 * Copyright (c) 2025 Aurélien Berthier
16 * <aurelien.berthier@ls2n.fr>
17 *
18 * This program is free software: you can redistribute it and/or modify
19 * it under the terms of the GNU General Public License as published by
20 * the Free Software Foundation, either version 3 of the License, or
21 * (at your option) any later version.
22 *
23 * This program is distributed in the hope that it will be useful,
24 * but WITHOUT ANY WARRANTY; without even the implied warranty of
25 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
26 * GNU General Public License for more details.
27 *
28 * You should have received a copy of the GNU General Public License
29 * along with this program. If not, see <http://www.gnu.org/licenses/>.
30 */
31
32#pragma once
33
34#include <vector>
35#include <memory>
36
37namespace pappso
38{
40{
41class CorrectionTree;
42typedef std::shared_ptr<CorrectionTree> CorrectionTreeSp;
43
45{
46 public:
48
50
51 void addPeaks(std::size_t peak1, std::size_t peak2);
52 std::vector<std::vector<std::size_t>> getPeaks() const;
53
54 private:
55 std::size_t peak;
57 CorrectionTree(std::size_t peak);
58};
59} // namespace specpeptidoms
60} // namespace pappso
std::vector< std::vector< std::size_t > > getPeaks() const
void addPeaks(std::size_t peak1, std::size_t peak2)
std::shared_ptr< CorrectionTree > CorrectionTreeSp
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition aa.cpp:39