libpappsomspp
Library for mass spectrometry
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xymsrunreader.h
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1
2#pragma once
3
5
6
7namespace pappso
8{
9
11{
12 friend class MsFileAccessor;
13
14 public:
15 XyMsRunReader(MsRunIdCstSPtr &msrun_id_csp);
16 virtual ~XyMsRunReader();
17
18 virtual MassSpectrumSPtr massSpectrumSPtr(std::size_t spectrum_index) override;
19 virtual MassSpectrumCstSPtr massSpectrumCstSPtr(std::size_t spectrum_index) override;
20
21 virtual QualifiedMassSpectrum qualifiedMassSpectrum(std::size_t spectrum_index,
22 bool want_binary_data = true) const override;
23
24 virtual void readSpectrumCollection(SpectrumCollectionHandlerInterface &handler) override;
25
26 virtual void readSpectrumCollection2(const MsRunReadConfig &config,
27 SpectrumCollectionHandlerInterface &handler) override;
28
30 newXicCoordSPtrFromSpectrumIndex(std::size_t spectrum_index,
31 pappso::PrecisionPtr precision) const override;
32
35 pappso::PrecisionPtr precision) const override;
36
38 unsigned int ms_level) override;
39
40
41 virtual std::size_t spectrumListSize() const override;
42
43 virtual bool releaseDevice() override;
44
45 virtual bool acquireDevice() override;
46
47 virtual std::size_t
48 spectrumStringIdentifier2SpectrumIndex(const QString &spectrum_identifier) override;
49
50
51 protected:
52 QString m_fileName;
53 virtual void initialize() override;
54 virtual bool accept(const QString &file_name) const override;
55
58};
59
60} // namespace pappso
MsRunReader(const MsRunIdCstSPtr &ms_run_id)
Class representing a fully specified mass spectrum.
interface to collect spectrums from the MsRunReader class
virtual pappso::XicCoordSPtr newXicCoordSPtrFromQualifiedMassSpectrum(const pappso::QualifiedMassSpectrum &mass_spectrum, pappso::PrecisionPtr precision) const override
get a xic coordinate object from a given spectrum
friend class MsFileAccessor
QualifiedMassSpectrum qualifiedMassSpectrumFromXyMSDataFile(MassSpectrumId mass_spectrum_id) const
virtual void readSpectrumCollection(SpectrumCollectionHandlerInterface &handler) override
function to visit an MsRunReader and get each Spectrum in a spectrum collection handler
virtual bool acquireDevice() override
acquire data back end device
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,...
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...
virtual std::size_t spectrumListSize() const override
get the totat number of spectrum conained in the MSrun data file
virtual void readSpectrumCollectionByMsLevel(SpectrumCollectionHandlerInterface &handler, unsigned int ms_level) override
function to visit an MsRunReader and get each Spectrum in a spectrum collection handler by Ms Levels
virtual bool releaseDevice() override
release data back end device if a the data back end is released, the developper has to use acquireDev...
XyMsRunReader(MsRunIdCstSPtr &msrun_id_csp)
virtual void initialize() override
virtual pappso::XicCoordSPtr newXicCoordSPtrFromSpectrumIndex(std::size_t spectrum_index, pappso::PrecisionPtr precision) const override
get a xic coordinate object from a given spectrum index
virtual MassSpectrumSPtr massSpectrumSPtr(std::size_t spectrum_index) override
get a MassSpectrumSPtr class given its spectrum index
virtual QualifiedMassSpectrum qualifiedMassSpectrum(std::size_t spectrum_index, bool want_binary_data=true) const override
get a QualifiedMassSpectrum class given its scan number
virtual void readSpectrumCollection2(const MsRunReadConfig &config, SpectrumCollectionHandlerInterface &handler) override
virtual MassSpectrumCstSPtr massSpectrumCstSPtr(std::size_t spectrum_index) override
#define PMSPP_LIB_DECL
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition aa.cpp:39
std::shared_ptr< const MsRunId > MsRunIdCstSPtr
Definition msrunid.h:46
std::shared_ptr< const MassSpectrum > MassSpectrumCstSPtr
const PrecisionBase * PrecisionPtr
Definition precision.h:122
std::shared_ptr< MassSpectrum > MassSpectrumSPtr
std::shared_ptr< XicCoord > XicCoordSPtr
Definition xiccoord.h:44