libpappsomspp
Library for mass spectrometry
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psmfeatures.h
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1/**
2 * \file pappsomspp/processing/cbor/psm/evalscan/psmfeatures.h
3 * \date 15/07/2025
4 * \author Olivier Langella
5 * \brief compute features on scan's PSM
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#pragma once
28
32#include <QJsonObject>
34
35namespace pappso
36{
37namespace cbor
38{
39namespace psm
40{
41
42/**
43 * @todo write docs
44 */
46{
47 public:
48 /**
49 * Default constructor
50 */
51 PsmFeatures(std::size_t buffer_scan_size, CborStreamWriter *cbor_output_p);
52 PsmFeatures(std::size_t buffer_scan_size,
53 CborStreamWriter *cbor_output_p,
54 const QJsonObject &parameters);
55
56
57 /**
58 * Destructor
59 */
60 virtual ~PsmFeatures();
61
62
63 protected:
65
66 void parameterMapReady(pappso::UiMonitorInterface &monitor) override;
67
68 private:
70 double m_minimumMz = 150;
71 std::list<pappso::Enums::PeptideIon> m_ionList;
74};
75} // namespace psm
76} // namespace cbor
77} // namespace pappso
overrides QCborStreamWriter base class to provide convenient functions
CborScanMapBase * newCborScanMap() override
pappso::XtandemSpectrumProcess m_tandemSpectrumProcess
Definition psmfeatures.h:69
void parameterMapReady(pappso::UiMonitorInterface &monitor) override
pappso::PsmFeatures * mpa_psmFeatures
Definition psmfeatures.h:73
pappso::PrecisionPtr m_fragmentTolerance
Definition psmfeatures.h:72
PsmFeatures(std::size_t buffer_scan_size, CborStreamWriter *cbor_output_p)
std::list< pappso::Enums::PeptideIon > m_ionList
Definition psmfeatures.h:71
PsmFileScanProcessAndCopy(std::size_t buffer_scan_size, CborStreamWriter *cbor_output_p, const QString &operation)
#define PMSPP_LIB_DECL
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition aa.cpp:39
const PrecisionBase * PrecisionPtr
Definition precision.h:122