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Library for mass spectrometry
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timsmsrunreaderms2selected.h
Go to the documentation of this file.
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/**
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* \file pappsomspp/msrun/private/timsmsrunreaderms2.h
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* \date 10/09/2019
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* \author Olivier Langella
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* \brief MSrun file reader for native Bruker TimsTOF specialized for MS2
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* purpose
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*/
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/*******************************************************************************
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* Copyright (c) 2019 Olivier Langella <Olivier.Langella@u-psud.fr>.
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*
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* This file is part of the PAPPSOms++ library.
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*
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* PAPPSOms++ 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++ 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++. 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/msrun/private/timsmsrunreaderms2.h
"
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#include "
../../types.h
"
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#include "
pappsomspp/core/msfile/msfileaccessor.h
"
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#include "
pappsomspp/core/msfile/msfilereader.h
"
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#include "
../../vendors/tims/timsdata.h
"
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namespace
pappso
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{
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class
PMSPP_LIB_DECL
TimsMsRunReaderMs2Selected
:
public
TimsMsRunReaderMs2
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{
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friend
class
MsFileAccessor
;
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/**
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* @todo write docs
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*/
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public
:
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TimsMsRunReaderMs2Selected
(
MsRunIdCstSPtr
&msrun_id_csp);
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virtual
~TimsMsRunReaderMs2Selected
();
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virtual
MassSpectrumSPtr
massSpectrumSPtr
(std::size_t spectrum_index)
override
;
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virtual
MassSpectrumCstSPtr
massSpectrumCstSPtr
(std::size_t spectrum_index)
override
;
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virtual
QualifiedMassSpectrum
qualifiedMassSpectrum
(std::size_t spectrum_index,
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bool
want_binary_data =
true
)
const override
;
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virtual
void
readSpectrumCollection
(
SpectrumCollectionHandlerInterface
&handler)
override
;
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virtual
void
readSpectrumCollection2
(
const
MsRunReadConfig
&config,
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SpectrumCollectionHandlerInterface
&handler)
override
;
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virtual
std::size_t
spectrumListSize
()
const override
;
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virtual
bool
hasScanNumbers
()
const override
;
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void
setMs2FilterCstSPtr
(
pappso::FilterInterfaceCstSPtr
filter);
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void
setMs1FilterCstSPtr
(
pappso::FilterInterfaceCstSPtr
filter);
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virtual
std::size_t
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spectrumStringIdentifier2SpectrumIndex
(
const
QString &spectrum_identifier)
override
;
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protected
:
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virtual
void
initialize
()
override
;
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virtual
bool
accept
(
const
QString &file_name)
const override
;
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private
:
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TimsData
*
mpa_timsData
=
nullptr
;
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};
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}
// namespace pappso
pappso::MsRunReadConfig
Definition
msrunreadconfig.h:62
pappso::QualifiedMassSpectrum
Class representing a fully specified mass spectrum.
Definition
qualifiedmassspectrum.h:98
pappso::SpectrumCollectionHandlerInterface
interface to collect spectrums from the MsRunReader class
Definition
spectrumcollectionhandlerinterface.h:52
pappso::TimsData
Definition
timsdata.h:68
pappso::TimsMsRunReaderMs2Selected::massSpectrumCstSPtr
virtual MassSpectrumCstSPtr massSpectrumCstSPtr(std::size_t spectrum_index) override
Definition
timsmsrunreaderms2selected.cpp:107
pappso::TimsMsRunReaderMs2Selected::spectrumListSize
virtual std::size_t spectrumListSize() const override
get the totat number of spectrum conained in the MSrun data file
Definition
timsmsrunreaderms2selected.cpp:306
pappso::TimsMsRunReaderMs2Selected::readSpectrumCollection2
virtual void readSpectrumCollection2(const MsRunReadConfig &config, SpectrumCollectionHandlerInterface &handler) override
function to visit an MsRunReader and get each Spectrum in a spectrum collection handler
Definition
timsmsrunreaderms2selected.cpp:299
pappso::TimsMsRunReaderMs2Selected::MsFileAccessor
friend class MsFileAccessor
Definition
timsmsrunreaderms2selected.h:43
pappso::TimsMsRunReaderMs2Selected::accept
virtual bool accept(const QString &file_name) const override
tells if the reader is able to handle this file must be implemented by private MS run reader,...
Definition
timsmsrunreaderms2selected.cpp:91
pappso::TimsMsRunReaderMs2Selected::setMs2FilterCstSPtr
void setMs2FilterCstSPtr(pappso::FilterInterfaceCstSPtr filter)
Definition
timsmsrunreaderms2selected.cpp:61
pappso::TimsMsRunReaderMs2Selected::setMs1FilterCstSPtr
void setMs1FilterCstSPtr(pappso::FilterInterfaceCstSPtr filter)
Definition
timsmsrunreaderms2selected.cpp:76
pappso::TimsMsRunReaderMs2Selected::mpa_timsData
TimsData * mpa_timsData
Definition
timsmsrunreaderms2selected.h:77
pappso::TimsMsRunReaderMs2Selected::qualifiedMassSpectrum
virtual QualifiedMassSpectrum qualifiedMassSpectrum(std::size_t spectrum_index, bool want_binary_data=true) const override
get a QualifiedMassSpectrum class given its scan number
Definition
timsmsrunreaderms2selected.cpp:115
pappso::TimsMsRunReaderMs2Selected::massSpectrumSPtr
virtual MassSpectrumSPtr massSpectrumSPtr(std::size_t spectrum_index) override
get a MassSpectrumSPtr class given its spectrum index
Definition
timsmsrunreaderms2selected.cpp:99
pappso::TimsMsRunReaderMs2Selected::TimsMsRunReaderMs2Selected
TimsMsRunReaderMs2Selected(MsRunIdCstSPtr &msrun_id_csp)
Definition
timsmsrunreaderms2selected.cpp:38
pappso::TimsMsRunReaderMs2Selected::hasScanNumbers
virtual bool hasScanNumbers() const override
tells if spectra can be accessed using scan numbers by default, it returns false. Only overrided func...
Definition
timsmsrunreaderms2selected.cpp:313
pappso::TimsMsRunReaderMs2Selected::spectrumStringIdentifier2SpectrumIndex
virtual std::size_t spectrumStringIdentifier2SpectrumIndex(const QString &spectrum_identifier) override
if possible, get the spectrum index given a string identifier throw a not found exception if spectrum...
Definition
timsmsrunreaderms2selected.cpp:320
pappso::TimsMsRunReaderMs2Selected::initialize
virtual void initialize() override
Definition
timsmsrunreaderms2selected.cpp:53
pappso::TimsMsRunReaderMs2Selected::readSpectrumCollection
virtual void readSpectrumCollection(SpectrumCollectionHandlerInterface &handler) override
function to visit an MsRunReader and get each Spectrum in a spectrum collection handler
Definition
timsmsrunreaderms2selected.cpp:160
pappso::TimsMsRunReaderMs2::TimsMsRunReaderMs2
TimsMsRunReaderMs2(MsRunIdCstSPtr &msrun_id_csp)
Definition
timsmsrunreaderms2.cpp:39
PMSPP_LIB_DECL
#define PMSPP_LIB_DECL
Definition
export-import-config.h:14
msfileaccessor.h
msfilereader.h
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition
aa.cpp:39
pappso::MsRunIdCstSPtr
std::shared_ptr< const MsRunId > MsRunIdCstSPtr
Definition
msrunid.h:46
pappso::MassSpectrumCstSPtr
std::shared_ptr< const MassSpectrum > MassSpectrumCstSPtr
Definition
massspectrum.h:54
pappso::FilterInterfaceCstSPtr
std::shared_ptr< const FilterInterface > FilterInterfaceCstSPtr
Definition
filterinterface.h:47
pappso::MassSpectrumSPtr
std::shared_ptr< MassSpectrum > MassSpectrumSPtr
Definition
massspectrum.h:53
timsdata.h
timsmsrunreaderms2.h
types.h
pappsomspp
core
msrun
private
timsmsrunreaderms2selected.h
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