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IChromatogramHandler.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: Justin Sing $
6// $Authors: Justin Sing $
7// --------------------------------------------------------------------------
8#pragma once
9
11
13#include <memory>
14
15// Forward-declare OpenSwath types at global namespace (defined in openswathalgo)
16namespace OpenSwath { struct LightTargetedExperiment; struct SwathMap; }
17
18namespace OpenMS
19{
20 // ChromExtractParams is defined in OpenSwathWorkflow.h (OpenMS namespace)
21 struct ChromExtractParams;
22
40 class OPENMS_DLLAPI IChromatogramHandler
41 {
42 public:
44 virtual ~IChromatogramHandler() = default;
45
47 virtual std::vector<MSChromatogram> collectIrtChromatogramsForIrt(
48 const std::vector< OpenSwath::SwathMap > & swath_maps,
49 const OpenSwath::LightTargetedExperiment & irt_transitions,
50 const Param & mrm_mapping_param,
51 const ChromExtractParams & cp,
53 bool pasef = false,
54 bool load_into_memory = false) = 0;
55
57 virtual std::vector<MSChromatogram> extractAndMapChromatogramsForTransitions(
58 const std::vector< OpenSwath::SwathMap > & swath_maps,
59 const OpenSwath::LightTargetedExperiment & transition_exp,
60 const ChromExtractParams & cp,
61 const Param & mrm_mapping_param) = 0;
62
64 static std::unique_ptr<IChromatogramHandler> createDefault();
65 };
66
67} // namespace OpenMS
Abstract interface for providing chromatograms.
Definition IChromatogramHandler.h:41
virtual ~IChromatogramHandler()=default
static std::unique_ptr< IChromatogramHandler > createDefault()
Factory: create the default handler (currently SRM/MRM-based)
virtual std::vector< MSChromatogram > collectIrtChromatogramsForIrt(const std::vector< OpenSwath::SwathMap > &swath_maps, const OpenSwath::LightTargetedExperiment &irt_transitions, const Param &mrm_mapping_param, const ChromExtractParams &cp, const TransformationDescription &trafo=TransformationDescription(), bool pasef=false, bool load_into_memory=false)=0
Collect iRT chromatograms from the swath maps and try to map them to the provided iRT transitions.
virtual std::vector< MSChromatogram > extractAndMapChromatogramsForTransitions(const std::vector< OpenSwath::SwathMap > &swath_maps, const OpenSwath::LightTargetedExperiment &transition_exp, const ChromExtractParams &cp, const Param &mrm_mapping_param)=0
Extract (or select) chromatograms for the given transitions and return mapped & filtered chromatogram...
Management and storage of parameters / INI files.
Definition Param.h:46
Generic description of a coordinate transformation.
Definition TransformationDescription.h:37
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19
ChromatogramExtractor parameters.
Definition OpenSwathWorkflow.h:54
Definition Scoring.h:18
Definition TransitionExperiment.h:356