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SpectrumAccessOpenMS.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
18#include <memory>
19
20namespace OpenMS
21{
26 class OPENMS_DLLAPI SpectrumAccessOpenMS :
28 {
29public:
33
35 explicit SpectrumAccessOpenMS(std::shared_ptr<MSExperimentType> ms_experiment);
36
39
50
58 std::shared_ptr<OpenSwath::ISpectrumAccess> lightClone() const override;
59
61
63
64 std::vector<std::size_t> getSpectraByRT(double RT, double deltaRT) const override;
65
66 size_t getNrSpectra() const override;
67
69
71
72 // FEATURE ?
73 // ChromatogramPtr getChromatogramByPrecursorMZ(double mz, double deltaMZ);
74
75 size_t getNrChromatograms() const override;
76
78
79 std::string getChromatogramNativeID(int id) const override;
80
81private:
82 std::shared_ptr<MSExperimentType> ms_experiment_;
83
84 };
85} //end namespace OpenMS
86
Representation of chromatogram settings, e.g. SRM/MRM chromatograms.
Definition ChromatogramSettings.h:37
The representation of a chromatogram.
Definition MSChromatogram.h:30
In-Memory representation of a mass spectrometry run.
Definition MSExperiment.h:49
The representation of a 1D spectrum.
Definition MSSpectrum.h:44
An implementation of the OpenSWATH Spectrum Access interface using OpenMS.
Definition SpectrumAccessOpenMS.h:28
std::shared_ptr< OpenSwath::ISpectrumAccess > lightClone() const override
Light clone operator (actual data will not get copied)
OpenMS::PeakMap MSExperimentType
Definition SpectrumAccessOpenMS.h:30
size_t getNrSpectra() const override
Returns the number of spectra available.
OpenMS::MSSpectrum MSSpectrumType
Definition SpectrumAccessOpenMS.h:31
~SpectrumAccessOpenMS() override
Destructor.
size_t getNrChromatograms() const override
Returns the number of chromatograms available.
OpenMS::MSChromatogram MSChromatogramType
Definition SpectrumAccessOpenMS.h:32
SpectrumSettings getSpectraMetaInfo(int id) const
OpenSwath::ChromatogramPtr getChromatogramById(int id) override
Return a pointer to a chromatogram at the given id.
SpectrumAccessOpenMS(std::shared_ptr< MSExperimentType > ms_experiment)
Constructor.
OpenSwath::SpectrumPtr getSpectrumById(int id) override
Return a pointer to a spectrum at the given id.
ChromatogramSettings getChromatogramMetaInfo(int id) const
std::string getChromatogramNativeID(int id) const override
Returns the native id of the chromatogram at the given id.
std::vector< std::size_t > getSpectraByRT(double RT, double deltaRT) const override
Return a vector of ids of spectra that are within RT +/- deltaRT.
std::shared_ptr< MSExperimentType > ms_experiment_
Definition SpectrumAccessOpenMS.h:82
SpectrumAccessOpenMS(const SpectrumAccessOpenMS &rhs)
Copy constructor.
OpenSwath::SpectrumMeta getSpectrumMetaById(int id) const override
Returns the meta information for a spectrum.
Representation of 1D spectrum settings.
Definition SpectrumSettings.h:44
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