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ElutionModelFitter.h
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31 // $Maintainer: Hendrik Weisser $
32 // $Authors: Hendrik Weisser $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/DATASTRUCTURES/DefaultParamHandler.h>
38 #include <OpenMS/KERNEL/FeatureMap.h>
39 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/FeatureFinderAlgorithmPickedHelperStructs.h>
40 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/TraceFitter.h>
41
42 namespace OpenMS
43 {
49 class OPENMS_DLLAPI ElutionModelFitter :
50 public DefaultParamHandler
51 {
52
53 public:
55 ElutionModelFitter();
56
58 ~ElutionModelFitter() override;
59
71 void fitElutionModels(FeatureMap& features);
72
73 protected:
74 typedef FeatureFinderAlgorithmPickedHelperStructs::MassTrace MassTrace;
75 typedef FeatureFinderAlgorithmPickedHelperStructs::MassTraces MassTraces;
76
78 double calculateFitQuality_(const TraceFitter* fitter,
79 const MassTraces& traces);
80 };
81 }
82
OpenMS::ElutionModelFitter::MassTrace
FeatureFinderAlgorithmPickedHelperStructs::MassTrace MassTrace
Definition: ElutionModelFitter.h:74
OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTraces
Helper struct for a collection of mass traces used in FeatureFinderAlgorithmPicked.
Definition: FeatureFinderAlgorithmPickedHelperStructs.h:109
FeatureFinderAlgorithmPickedHelperStructs.h
OpenMS::DefaultParamHandler
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:91
OpenMS::FeatureMap
A container for features.
Definition: FeatureMap.h:95
OpenMS::TraceFitter
Abstract fitter for RT profile fitting.
Definition: TraceFitter.h:55
OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTrace
Helper struct for mass traces used in FeatureFinderAlgorithmPicked.
Definition: FeatureFinderAlgorithmPickedHelperStructs.h:79
OpenMS::ElutionModelFitter
Helper class for fitting elution models to features.
Definition: ElutionModelFitter.h:49
FeatureMap.h
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
DefaultParamHandler.h
OpenMS::ElutionModelFitter::MassTraces
FeatureFinderAlgorithmPickedHelperStructs::MassTraces MassTraces
Definition: ElutionModelFitter.h:75
TraceFitter.h