libpappsomspp
Library for mass spectrometry
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psmcborutils.h
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1/**
2 * \file pappsomspp/processing/cbor/psm/psmcborutils.h
3 * \date 16/09/2025
4 * \author Olivier Langella
5 * \brief PSM CBOR utilities
6 */
7
8/*******************************************************************************
9 * Copyright (c) 2025 Olivier Langella <Olivier.Langella@universite-paris-saclay.fr>.
10 *
11 * This file is part of PAPPSOms-tools.
12 *
13 * PAPPSOms-tools is free software: you can redistribute it and/or modify
14 * it under the terms of the GNU General Public License as published by
15 * the Free Software Foundation, either version 3 of the License, or
16 * (at your option) any later version.
17 *
18 * PAPPSOms-tools is distributed in the hope that it will be useful,
19 * but WITHOUT ANY WARRANTY; without even the implied warranty of
20 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
21 * GNU General Public License for more details.
22 *
23 * You should have received a copy of the GNU General Public License
24 * along with PAPPSOms-tools. If not, see <http://www.gnu.org/licenses/>.
25 *
26 ******************************************************************************/
27
28
29#pragma once
30
31#include <QCborMap>
33
34namespace pappso
35{
36namespace cbor
37{
38namespace psm
39{
40/**
41 * @brief utilities to help managing data in PSM CBOR data file
42 */
44{
45 public:
47 {
48 QString accession;
49 std::vector<std::size_t> positions;
50 };
51
52
53 static void
54 prepareCborScanWithSpectrum(QCborMap &cbor_scan,
55 const pappso::QualifiedMassSpectrum &ms2_qualified_mass_spectrum);
56
58 QCborMap &cbor_scan, const pappso::QualifiedMassSpectrum &ms2_qualified_mass_spectrum);
59
60
61 static std::vector<PsmProteinRef> getPsmProteinRefList(const QCborMap &cbor_psm);
62 static void setPsmProteinRefList(QCborMap &cbor_psm,
63 const std::vector<PsmProteinRef> &protein_ref_list);
64
65 static void mergePsmProteinRefList(QCborMap &cbor_psm_destination,
66 const QCborMap &cbor_psm_source);
67};
68
69} // namespace psm
70} // namespace cbor
71} // namespace pappso
Class representing a fully specified mass spectrum.
utilities to help managing data in PSM CBOR data file
static void prepareCborScanWithSpectrum(QCborMap &cbor_scan, const pappso::QualifiedMassSpectrum &ms2_qualified_mass_spectrum)
static void prepareCborScanWithSpectrumAndPeakList(QCborMap &cbor_scan, const pappso::QualifiedMassSpectrum &ms2_qualified_mass_spectrum)
static void setPsmProteinRefList(QCborMap &cbor_psm, const std::vector< PsmProteinRef > &protein_ref_list)
static void mergePsmProteinRefList(QCborMap &cbor_psm_destination, const QCborMap &cbor_psm_source)
static std::vector< PsmProteinRef > getPsmProteinRefList(const QCborMap &cbor_psm)
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition aa.cpp:39