OpenMS  3.0.0
EGHModel.h
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31 // $Maintainer: Timo Sachsenberg$
32 // $Authors: Stephan Aiche $
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34 
35 #pragma once
36 
39 
40 namespace OpenMS
41 {
53  class OPENMS_DLLAPI EGHModel :
54  public InterpolationModel
55  {
56 
57 public:
61 
63  EGHModel();
64 
66  EGHModel(const EGHModel & source);
67 
69  ~EGHModel() override;
70 
72  virtual EGHModel & operator=(const EGHModel & source);
73 
75  static BaseModel<1> * create()
76  {
77  return new EGHModel();
78  }
79 
81  static const String getProductName()
82  {
83  return "EGHModel";
84  }
85 
87  void setOffset(CoordinateType offset) override;
88 
90  void setSamples() override;
91 
93  CoordinateType getCenter() const override;
94 
95 protected:
99  CoordinateType height_; // H in paper
101 
104 
108 
109 
110  void updateMembers_() override;
111 
113  void computeBoundaries_();
114 
121  inline void evaluateEGH_(CoordinateType & rt, CoordinateType & egh_value) const
122  {
123  CoordinateType denominator = sigma_square_2_ + tau_ * rt;
124 
125  if (denominator > 0)
126  {
127  // evaluate egh ->
128  egh_value = height_ * exp(
129  (-1 * rt * rt) / denominator
130  );
131  }
132  else
133  {
134  egh_value = 0.0;
135  }
136  }
137 
138  };
139 
140 } // namespace OpenMS
141 
OpenMS::EGHModel::CoordinateType
InterpolationModel::CoordinateType CoordinateType
Definition: EGHModel.h:58
OpenMS::EGHModel::create
static BaseModel< 1 > * create()
create new ElutionModel object (needed by Factory)
Definition: EGHModel.h:75
double
OpenMS::EGHModel::tau_
CoordinateType tau_
Definition: EGHModel.h:105
OpenMS::String
A more convenient string class.
Definition: String.h:58
BasicStatistics.h
OpenMS::EGHModel
Exponential-Gaussian hybrid distribution model for elution profiles.
Definition: EGHModel.h:53
OpenMS::EGHModel::getProductName
static const String getProductName()
name of the model (needed by Factory)
Definition: EGHModel.h:81
OpenMS::EGHModel::max_
CoordinateType max_
Definition: EGHModel.h:97
OpenMS::EGHModel::ContainerType
LinearInterpolation::container_type ContainerType
Definition: EGHModel.h:60
OpenMS::EGHModel::height_
CoordinateType height_
Definition: EGHModel.h:99
OpenMS::EGHModel::sigma_square_2_
CoordinateType sigma_square_2_
Definition: EGHModel.h:107
OpenMS::EGHModel::BasicStatistics
Math::BasicStatistics< CoordinateType > BasicStatistics
Definition: EGHModel.h:59
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::Math::BasicStatistics< CoordinateType >
OpenMS::InterpolationModel
Abstract class for 1D-models that are approximated using linear interpolation.
Definition: InterpolationModel.h:54
OpenMS::EGHModel::evaluateEGH_
void evaluateEGH_(CoordinateType &rt, CoordinateType &egh_value) const
Evaluate the EGH function at position rt.
Definition: EGHModel.h:121
InterpolationModel.h
OpenMS::Math::LinearInterpolation< double >::container_type
std::vector< value_type > container_type
Definition: LinearInterpolation.h:84
OpenMS::EGHModel::A_
CoordinateType A_
Definition: EGHModel.h:102
OpenMS::EGHModel::B_
CoordinateType B_
Definition: EGHModel.h:103
OpenMS::EGHModel::statistics_
BasicStatistics statistics_
Definition: EGHModel.h:98
OpenMS::EGHModel::sigma_square_
CoordinateType sigma_square_
Definition: EGHModel.h:106
OpenMS::EGHModel::apex_rt_
CoordinateType apex_rt_
Definition: EGHModel.h:100
OpenMS::BaseModel< 1 >
OpenMS::EGHModel::min_
CoordinateType min_
Definition: EGHModel.h:96