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SpectrumAccessSqMass.h
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1// Copyright (c) 2002-present, OpenMS Inc. -- EKU Tuebingen, ETH Zurich, and FU Berlin
2// SPDX-License-Identifier: BSD-3-Clause
3//
4// --------------------------------------------------------------------------
5// $Maintainer: Hannes Roest $
6// $Authors: Hannes Roest $
7// --------------------------------------------------------------------------
8
9#pragma once
10
15
17
19
20#include <memory>
21
22namespace OpenMS
23{
59 class OPENMS_DLLAPI SpectrumAccessSqMass :
61 {
62
63public:
66
69
70 SpectrumAccessSqMass(const OpenMS::Internal::MzMLSqliteHandler& handler, const std::vector<int> & indices);
71
72 SpectrumAccessSqMass(const SpectrumAccessSqMass& sp, const std::vector<int>& indices);
73
76
79
81 std::shared_ptr<OpenSwath::ISpectrumAccess> lightClone() const override;
82
84
85 OpenSwath::SpectrumMeta getSpectrumMetaById(int /* id */) const override;
86
88 void getAllSpectra(std::vector< OpenSwath::SpectrumPtr > & spectra, std::vector< OpenSwath::SpectrumMeta > & spectra_meta) const;
89
90 std::vector<std::size_t> getSpectraByRT(double /* RT */, double /* deltaRT */) const override;
91
92 size_t getNrSpectra() const override;
93
95
96 size_t getNrChromatograms() const override;
97
98 std::string getChromatogramNativeID(int /* id */) const override;
99
100private:
101
105 std::vector<int> sidx_;
106 };
107} //end namespace OpenMS
108
109
110
Sqlite handler for storing spectra and chromatograms in sqMass format.
Definition MzMLSqliteHandler.h:52
The representation of a chromatogram.
Definition MSChromatogram.h:30
The representation of a 1D spectrum.
Definition MSSpectrum.h:44
An implementation of the Spectrum Access interface using SQL files.
Definition SpectrumAccessSqMass.h:61
std::shared_ptr< OpenSwath::ISpectrumAccess > lightClone() const override
Light clone operator (actual data will not get copied)
size_t getNrSpectra() const override
Returns the number of spectra available.
SpectrumAccessSqMass(const SpectrumAccessSqMass &sp, const std::vector< int > &indices)
OpenSwath::SpectrumMeta getSpectrumMetaById(int) const override
Returns the meta information for a spectrum.
OpenMS::MSSpectrum MSSpectrumType
Definition SpectrumAccessSqMass.h:64
SpectrumAccessSqMass(const SpectrumAccessSqMass &rhs)
Copy constructor.
SpectrumAccessSqMass(const OpenMS::Internal::MzMLSqliteHandler &handler)
Constructor.
OpenMS::Internal::MzMLSqliteHandler handler_
Access to underlying sqMass file.
Definition SpectrumAccessSqMass.h:103
OpenSwath::SpectrumPtr getSpectrumById(int) override
Return a pointer to a spectrum at the given id.
OpenSwath::ChromatogramPtr getChromatogramById(int) override
Return a pointer to a chromatogram at the given id.
size_t getNrChromatograms() const override
Returns the number of chromatograms available.
OpenMS::MSChromatogram MSChromatogramType
Definition SpectrumAccessSqMass.h:65
void getAllSpectra(std::vector< OpenSwath::SpectrumPtr > &spectra, std::vector< OpenSwath::SpectrumMeta > &spectra_meta) const
Load all spectra from the underlying sqMass file into memory.
std::vector< int > sidx_
Optional subset of spectral indices.
Definition SpectrumAccessSqMass.h:105
SpectrumAccessSqMass(const OpenMS::Internal::MzMLSqliteHandler &handler, const std::vector< int > &indices)
std::vector< std::size_t > getSpectraByRT(double, double) const override
Return a vector of ids of spectra that are within RT +/- deltaRT.
~SpectrumAccessSqMass() override
Destructor.
std::string getChromatogramNativeID(int) const override
Returns the native id of the chromatogram at the given id.
The interface of a mass spectrometry experiment.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:30
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19
std::shared_ptr< Chromatogram > ChromatogramPtr
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:153
std::shared_ptr< Spectrum > SpectrumPtr
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:290
Identifying information for a spectrum.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:157