libpappsomspp
Library for mass spectrometry
psmfeaturesscan.h
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1/**
2 * \file pappsomspp/processing/cbor/psm/evalscan/psmfeaturesscan.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
29#include "../cborscanmapbase.h"
30#include "../../../../psm/xtandem/xtandemspectrumprocess.h"
31#include "../../../../psm/features/psmfeatures.h"
32
33namespace pappso::cbor::psm
34{
35/**
36 * @todo write docs
37 */
39{
40 public:
41 /**
42 * Default constructor
43 */
44 PsmFeaturesScan(const PsmFileScanProcess &psm_file_scan_process,
45 pappso::XtandemSpectrumProcess &tandem_spectrum_process,
46 std::list<pappso::PeptideIon> &ion_list,
47 pappso::PsmFeatures &psm_features,
48 pappso::PrecisionPtr fragment_tolerance);
49
50 /**
51 * Destructor
52 */
53 virtual ~PsmFeaturesScan();
54
55 protected:
56 void process() override;
57 double checkInf(double input) const;
58
59 private:
61 std::list<pappso::PeptideIon> &m_ionList;
64};
65} // namespace pappso::cbor::psm
pappso::XtandemSpectrumProcess & m_tandemSpectrumProcess
PsmFeaturesScan(const PsmFileScanProcess &psm_file_scan_process, pappso::XtandemSpectrumProcess &tandem_spectrum_process, std::list< pappso::PeptideIon > &ion_list, pappso::PsmFeatures &psm_features, pappso::PrecisionPtr fragment_tolerance)
std::list< pappso::PeptideIon > & m_ionList
double checkInf(double input) const
pappso::PrecisionPtr m_fragmentTolerance
Basic PSM file reader to process scan (parallelized scan processing)