libpappsomspp
Library for mass spectrometry
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psmspecglob.h
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1/**
2 * \file pappsomspp/processing/cbor/psm/evalscan/psmspecglob.h
3 * \date 19/07/2025
4 * \author Olivier Langella
5 * \brief compute specglob alignment 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
30#include <QJsonObject>
32
33namespace pappso::cbor::psm
34{
35
36class PsmSpecGlobScan;
37/**
38 * @todo write docs
39 */
41{
43
44 public:
45 /**
46 * Default constructor
47 */
48 PsmSpecGlob(std::size_t buffer_scan_size,
49 CborStreamWriter *cbor_output_p,
50 const QJsonObject &parameters);
51
52 /**
53 * Destructor
54 */
55 virtual ~PsmSpecGlob();
56
57
58 void filterMassSpectrum(pappso::MassSpectrum &mass_spectrum) const;
59
60 protected:
62
63 void parameterMapReady(pappso::UiMonitorInterface &monitor) override;
64
65 virtual void processBufferScanDone(pappso::UiMonitorInterface &monitor) override;
66
67 protected:
71 std::size_t m_nMostIntense;
72 bool m_deisotope = true;
74 std::size_t m_countScanProcessed = 0;
75};
76
77} // namespace pappso::cbor::psm
Class to represent a mass spectrum.
overrides QCborStreamWriter base class to provide convenient functions
PsmFileScanProcessAndCopy(std::size_t buffer_scan_size, CborStreamWriter *cbor_output_p, const QString &operation)
pappso::cbor::psm::CborScanMapBase * newCborScanMap() override
pappso::PrecisionPtr m_fragmentTolerance
Definition psmspecglob.h:69
virtual void processBufferScanDone(pappso::UiMonitorInterface &monitor) override
void filterMassSpectrum(pappso::MassSpectrum &mass_spectrum) const
void parameterMapReady(pappso::UiMonitorInterface &monitor) override
PsmSpecGlob(std::size_t buffer_scan_size, CborStreamWriter *cbor_output_p, const QJsonObject &parameters)
#define PMSPP_LIB_DECL
const PrecisionBase * PrecisionPtr
Definition precision.h:122