| OpenMS 2.5.0

MRMMapping.h
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2 // OpenMS -- Open-Source Mass Spectrometry
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4 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
5 // ETH Zurich, and Freie Universitaet Berlin 2002-2020.
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30 // --------------------------------------------------------------------------
31 // $Maintainer: Hannes Roest $
32 // $Authors: Hannes Roest $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/DATASTRUCTURES/DefaultParamHandler.h>
38
39 #include <OpenMS/ANALYSIS/TARGETED/TargetedExperiment.h>
40 #include <OpenMS/KERNEL/MSExperiment.h>
41
42 namespace OpenMS
43 {
44
49 class OPENMS_DLLAPI MRMMapping :
50 public DefaultParamHandler
51 {
52 public:
53
57 MRMMapping();
59
61 ~MRMMapping() override {}
63
85 void mapExperiment(const OpenMS::PeakMap& input_chromatograms,
86 const OpenMS::TargetedExperiment& targeted_exp,
87 OpenMS::PeakMap& output);
88
89 protected:
90
92 MRMMapping(const MRMMapping & rhs);
93
95 MRMMapping & operator=(const MRMMapping & rhs);
96
98 void updateMembers_() override;
99
100 double precursor_tol_;
101 double product_tol_;
102 bool map_multiple_assays_;
103 bool error_on_unmapped_;
104
105 };
106 }
107
OpenMS::MRMMapping::precursor_tol_
double precursor_tol_
Definition: MRMMapping.h:100
OpenMS::DefaultParamHandler
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:91
TargetedExperiment.h
OpenMS::MSExperiment
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
OpenMS::MRMMapping::~MRMMapping
~MRMMapping() override
destructor
Definition: MRMMapping.h:61
OpenMS::MRMMapping::product_tol_
double product_tol_
Definition: MRMMapping.h:101
OpenMS::MRMMapping::map_multiple_assays_
bool map_multiple_assays_
Definition: MRMMapping.h:102
OpenMS::TargetedExperiment
A description of a targeted experiment containing precursor and production ions.
Definition: TargetedExperiment.h:64
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
MSExperiment.h
DefaultParamHandler.h
OpenMS::MRMMapping
A class to map targeted assays to chromatograms.
Definition: MRMMapping.h:49
OpenMS::MRMMapping::error_on_unmapped_
bool error_on_unmapped_
Definition: MRMMapping.h:103