OpenMS  3.0.0
ElutionModelFitter.h
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31 // $Maintainer: Hendrik Weisser $
32 // $Authors: Hendrik Weisser $
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34 
35 #pragma once
36 
41 
42 namespace OpenMS
43 {
49  class OPENMS_DLLAPI ElutionModelFitter :
50  public DefaultParamHandler
51  {
52 
53  public:
56 
58  ~ElutionModelFitter() override;
59 
71  void fitElutionModels(FeatureMap& features);
72 
73  protected:
76 
78  double calculateFitQuality_(const TraceFitter* fitter,
79  const MassTraces& traces);
80 
82  void fitAndValidateModel_(TraceFitter* fitter, MassTraces& traces,
83  Feature& feature, double region_start,
84  double region_end, bool asymmetric,
85  double area_limit, double check_boundaries);
86  };
87 }
88 
DefaultParamHandler.h
OpenMS::TraceFitter
Abstract fitter for RT profile fitting.
Definition: TraceFitter.h:62
TraceFitter.h
OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTrace
Helper struct for mass traces used in FeatureFinderAlgorithmPicked.
Definition: FeatureFinderAlgorithmPickedHelperStructs.h:79
OpenMS::ElutionModelFitter::MassTraces
FeatureFinderAlgorithmPickedHelperStructs::MassTraces MassTraces
Definition: ElutionModelFitter.h:75
OpenMS::ElutionModelFitter
Helper class for fitting elution models to features.
Definition: ElutionModelFitter.h:49
FeatureFinderAlgorithmPickedHelperStructs.h
OpenMS::DefaultParamHandler
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:92
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
FeatureMap.h
OpenMS::ElutionModelFitter::MassTrace
FeatureFinderAlgorithmPickedHelperStructs::MassTrace MassTrace
Definition: ElutionModelFitter.h:74
OpenMS::FeatureMap
A container for features.
Definition: FeatureMap.h:98
OpenMS::Feature
An LC-MS feature.
Definition: Feature.h:70
OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTraces
Helper struct for a collection of mass traces used in FeatureFinderAlgorithmPicked.
Definition: FeatureFinderAlgorithmPickedHelperStructs.h:109