OpenMS  3.0.0
EGHFitter1D.h
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31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Stephan Aiche $
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34 
35 #pragma once
36 
37 #define DEBUG_FEATUREFINDER
38 
40 
41 namespace OpenMS
42 {
48  class OPENMS_DLLAPI EGHFitter1D :
49  public LevMarqFitter1D
50  {
51 public:
53  EGHFitter1D();
54 
56  EGHFitter1D(const EGHFitter1D & source);
57 
59  ~EGHFitter1D() override;
60 
62  virtual EGHFitter1D & operator=(const EGHFitter1D & source);
63 
65  static Fitter1D * create()
66  {
67  return new EGHFitter1D();
68  }
69 
71  static const String getProductName()
72  {
73  return "EGHFitter1D";
74  }
75 
77  QualityType fit1d(const RawDataArrayType & range, std::unique_ptr<InterpolationModel>& model) override;
78 
79 protected:
80 
82  struct Data
83  {
84  typedef Peak1D PeakType;
85  typedef std::vector<PeakType> RawDataArrayType;
86 
89  };
90 
92  {
93  public:
94  EGHFitterFunctor(int dimensions, const EGHFitter1D::Data * data)
95  : LevMarqFitter1D::GenericFunctor(dimensions, data->n), m_data(data) {}
96 
97  int operator()(const Eigen::VectorXd &x, Eigen::VectorXd &fvec) const override;
98  // compute Jacobian matrix for the different parameters
99  int df(const Eigen::VectorXd &x, Eigen::MatrixXd &J) const override;
100 
101  protected:
103  };
104 
106  virtual void setInitialParameters_(const RawDataArrayType & set);
107 
109  CoordinateType height_;
111  CoordinateType tau_;
113  CoordinateType sigma_square_;
115  CoordinateType retention_;
116 
117  void updateMembers_() override;
118  };
119 
120 }
121 
OpenMS::EGHFitter1D::create
static Fitter1D * create()
create new EGHFitter1D object (function needed by Factory)
Definition: EGHFitter1D.h:65
OpenMS::EGHFitter1D::EGHFitterFunctor
Definition: EGHFitter1D.h:91
OpenMS::String
A more convenient string class.
Definition: String.h:58
OpenMS::EGHFitter1D::Data::n
Size n
Definition: EGHFitter1D.h:87
OpenMS::Size
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
OpenMS::EGHFitter1D::getProductName
static const String getProductName()
name of the model (needed by Factory)
Definition: EGHFitter1D.h:71
Eigen::Matrix
Definition: IsobaricIsotopeCorrector.h:43
OpenMS::EGHFitter1D::Data::PeakType
Peak1D PeakType
Definition: EGHFitter1D.h:84
OpenMS::EGHFitter1D::Data::set
RawDataArrayType set
Definition: EGHFitter1D.h:88
OpenMS::EGHFitter1D::Data::RawDataArrayType
std::vector< PeakType > RawDataArrayType
Definition: EGHFitter1D.h:85
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::LevMarqFitter1D::GenericFunctor
Definition: LevMarqFitter1D.h:69
OpenMS::LevMarqFitter1D
Abstract class for 1D-model fitter using Levenberg-Marquardt algorithm for parameter optimization.
Definition: LevMarqFitter1D.h:59
OpenMS::EGHFitter1D::EGHFitterFunctor::m_data
const EGHFitter1D::Data * m_data
Definition: EGHFitter1D.h:102
OpenMS::EGHFitter1D::Data
Helper struct (contains the size of an area and a raw data container)
Definition: EGHFitter1D.h:82
OpenMS::EGHFitter1D
Exponential-Gaussian hybrid distribution fitter (1-dim.) using Levenberg-Marquardt algorithm (Eigen i...
Definition: EGHFitter1D.h:48
OpenMS::EGHFitter1D::tau_
CoordinateType tau_
Parameter of egh - tau.
Definition: EGHFitter1D.h:111
OpenMS::Fitter1D
Abstract base class for all 1D-dimensional model fitter.
Definition: Fitter1D.h:59
OpenMS::Peak1D
A 1-dimensional raw data point or peak.
Definition: Peak1D.h:53
OpenMS::EGHFitter1D::retention_
CoordinateType retention_
Parameter of egh - peak retention time.
Definition: EGHFitter1D.h:115
OpenMS::EGHFitter1D::EGHFitterFunctor::EGHFitterFunctor
EGHFitterFunctor(int dimensions, const EGHFitter1D::Data *data)
Definition: EGHFitter1D.h:94
OpenMS::EGHFitter1D::height_
CoordinateType height_
Parameter of egh - peak height.
Definition: EGHFitter1D.h:109
OpenMS::EGHFitter1D::sigma_square_
CoordinateType sigma_square_
Parameter of egh - sigma-square.
Definition: EGHFitter1D.h:113
LevMarqFitter1D.h
OpenMS::Fitter1D::RawDataArrayType
std::vector< PeakType > RawDataArrayType
Peak type data container type using for the temporary storage of the input data.
Definition: Fitter1D.h:76