libpappsomspp
Library for mass spectrometry
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psmfeatures.h
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/**
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* \file pappsomspp/processing/cbor/psm/evalscan/psmfeatures.h
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* \date 15/07/2025
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* \author Olivier Langella
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* \brief compute features on scan's PSM
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*/
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/*******************************************************************************
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* Copyright (c) 2025 Olivier Langella <Olivier.Langella@universite-paris-saclay.fr>.
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*
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* This file is part of PAPPSOms-tools.
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*
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* PAPPSOms-tools is free software: you can redistribute it and/or modify
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* it under the terms of the GNU General Public License as published by
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* the Free Software Foundation, either version 3 of the License, or
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* (at your option) any later version.
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*
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* PAPPSOms-tools is distributed in the hope that it will be useful,
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* but WITHOUT ANY WARRANTY; without even the implied warranty of
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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* GNU General Public License for more details.
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*
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* You should have received a copy of the GNU General Public License
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* along with PAPPSOms-tools. If not, see <http://www.gnu.org/licenses/>.
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*
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******************************************************************************/
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#pragma once
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#include "
pappsomspp/core/processing/cbor/psm/psmfilescanprocessandcopy.h
"
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#include "
pappsomspp/core/psm/xtandem/xtandemspectrumprocess.h
"
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#include "
pappsomspp/core/psm/features/psmfeatures.h
"
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#include <QJsonObject>
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#include "
pappsomspp/export-import-config.h
"
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namespace
pappso
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{
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namespace
cbor
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{
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namespace
psm
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{
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/**
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* @todo write docs
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*/
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class
PMSPP_LIB_DECL
PsmFeatures
:
public
PsmFileScanProcessAndCopy
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{
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public
:
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/**
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* Default constructor
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*/
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PsmFeatures
(std::size_t buffer_scan_size,
CborStreamWriter
*cbor_output_p);
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PsmFeatures
(std::size_t buffer_scan_size,
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CborStreamWriter
*cbor_output_p,
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const
QJsonObject ¶meters);
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/**
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* Destructor
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*/
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virtual
~PsmFeatures
();
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protected
:
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CborScanMapBase
*newCborScanMap()
override
;
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void
parameterMapReady(
pappso::UiMonitorInterface
&monitor)
override
;
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private
:
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pappso::XtandemSpectrumProcess
m_tandemSpectrumProcess
;
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double
m_minimumMz = 150;
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std::list<pappso::Enums::PeptideIon>
m_ionList
;
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pappso::PrecisionPtr
m_fragmentTolerance
;
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pappso::PsmFeatures
*
mpa_psmFeatures
;
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};
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}
// namespace psm
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}
// namespace cbor
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}
// namespace pappso
pappso::PrecisionBase
Definition
precision.h:44
pappso::PsmFeatures
Definition
psmfeatures.h:46
pappso::UiMonitorInterface
Definition
uimonitorinterface.h:50
pappso::XtandemSpectrumProcess
Definition
xtandemspectrumprocess.h:42
pappso::cbor::CborStreamWriter
overrides QCborStreamWriter base class to provide convenient functions
Definition
cborstreamwriter.h:45
pappso::cbor::psm::CborScanMapBase
Definition
cborscanmapbase.h:48
pappso::cbor::psm::PsmFeatures
Definition
psmfeatures.h:46
pappso::cbor::psm::PsmFeatures::m_tandemSpectrumProcess
pappso::XtandemSpectrumProcess m_tandemSpectrumProcess
Definition
psmfeatures.h:69
pappso::cbor::psm::PsmFeatures::mpa_psmFeatures
pappso::PsmFeatures * mpa_psmFeatures
Definition
psmfeatures.h:73
pappso::cbor::psm::PsmFeatures::m_fragmentTolerance
pappso::PrecisionPtr m_fragmentTolerance
Definition
psmfeatures.h:72
pappso::cbor::psm::PsmFeatures::m_ionList
std::list< pappso::Enums::PeptideIon > m_ionList
Definition
psmfeatures.h:71
pappso::cbor::psm::PsmFileScanProcessAndCopy
Basic PSM file reader to process scan (parallelized scan processing) and write a new resulting PSM fi...
Definition
psmfilescanprocessandcopy.h:49
export-import-config.h
PMSPP_LIB_DECL
#define PMSPP_LIB_DECL
Definition
export-import-config.h:14
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition
aa.cpp:39
psmfeatures.h
psmfilescanprocessandcopy.h
xtandemspectrumprocess.h
pappsomspp
core
processing
cbor
psm
evalscan
psmfeatures.h
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