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
34 newXicCoordSPtrFromQualifiedMassSpectrum(const pappso::QualifiedMassSpectrum &mass_spectrum,
35 pappso::PrecisionPtr precision) const override;
36
37 virtual void readSpectrumCollectionByMsLevel(SpectrumCollectionHandlerInterface &handler,
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
57 qualifiedMassSpectrumFromXyMSDataFile(MassSpectrumId mass_spectrum_id) const;
58};
59
60} // namespace pappso
base class to read MSrun the only way to build a MsRunReader object is to use the MsRunReaderFactory
Definition msrunreader.h:64
Class representing a fully specified mass spectrum.
interface to collect spectrums from the MsRunReader class
#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
std::shared_ptr< MassSpectrum > MassSpectrumSPtr
std::shared_ptr< XicCoord > XicCoordSPtr
Definition xiccoord.h:44