OpenMS  3.0.0
EmgFitter1D.h
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34 
35 #pragma once
36 
39 
40 namespace OpenMS
41 {
47  class OPENMS_DLLAPI EmgFitter1D :
48  public LevMarqFitter1D
49  {
50 public:
51 
53  EmgFitter1D();
54 
56  EmgFitter1D(const EmgFitter1D& source);
57 
59  ~EmgFitter1D() override;
60 
62  virtual EmgFitter1D& operator=(const EmgFitter1D& source);
63 
65  static Fitter1D* create()
66  {
67  return new EmgFitter1D();
68  }
69 
71  static const String getProductName()
72  {
73  return "EmgFitter1D";
74  }
75 
77  QualityType fit1d(const RawDataArrayType& range, std::unique_ptr<InterpolationModel>& model) override;
78 
79 protected:
81  struct Data
82  {
83  typedef Peak1D PeakType;
84  typedef std::vector<PeakType> RawDataArrayType;
85 
88  };
89 
92  {
93 public:
94  EgmFitterFunctor(int dimensions, const EmgFitter1D::Data* data) :
95  LevMarqFitter1D::GenericFunctor(dimensions,
96  static_cast<int>(data->n)),
97  m_data(data)
98  {}
99 
100  int operator()(const Eigen::VectorXd& x, Eigen::VectorXd& fvec) const override;
101  // compute Jacobian matrix for the different parameters
102  int df(const Eigen::VectorXd& x, Eigen::MatrixXd& J) const override;
103 
104 protected:
110  };
111 
113  virtual void setInitialParameters_(const RawDataArrayType& set);
116  void setInitialParametersMOM_(const RawDataArrayType& set);
117 
126 
127  void updateMembers_() override;
128  };
129 
130 }
131 
OpenMS::EmgFitter1D::EgmFitterFunctor::sqrt2pi
static const EmgFitter1D::CoordinateType sqrt2pi
Definition: EmgFitter1D.h:107
OpenMS::EmgFitter1D::EgmFitterFunctor::sqrt_2
static const EmgFitter1D::CoordinateType sqrt_2
Definition: EmgFitter1D.h:109
OpenMS::EmgFitter1D::Data::RawDataArrayType
std::vector< PeakType > RawDataArrayType
Definition: EmgFitter1D.h:84
OpenMS::EmgFitter1D::height_
CoordinateType height_
Parameter of emg - peak height.
Definition: EmgFitter1D.h:119
OpenMS::EmgFitter1D::EgmFitterFunctor
Definition: EmgFitter1D.h:90
OpenMS::String
A more convenient string class.
Definition: String.h:58
OpenMS::EmgFitter1D::getProductName
static const String getProductName()
name of the model (needed by Factory)
Definition: EmgFitter1D.h:71
OpenMS::Size
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
OpenMS::EmgFitter1D::EgmFitterFunctor::emg_const
static const EmgFitter1D::CoordinateType emg_const
Definition: EmgFitter1D.h:108
OpenMS::EmgFitter1D::symmetry_
CoordinateType symmetry_
Parameter of emg - peak symmetry.
Definition: EmgFitter1D.h:123
Eigen::Matrix
Definition: IsobaricIsotopeCorrector.h:43
Constants.h
OpenMS::EmgFitter1D::Data::set
RawDataArrayType set
Definition: EmgFitter1D.h:87
OpenMS::EmgFitter1D::Data::PeakType
Peak1D PeakType
Definition: EmgFitter1D.h:83
OpenMS::EmgFitter1D::EgmFitterFunctor::c
static const EmgFitter1D::CoordinateType c
Definition: EmgFitter1D.h:106
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::EmgFitter1D
Exponentially modified gaussian distribution fitter (1-dim.) using Levenberg-Marquardt algorithm (Eig...
Definition: EmgFitter1D.h:47
OpenMS::EmgFitter1D::width_
CoordinateType width_
Parameter of emg - peak width.
Definition: EmgFitter1D.h:121
OpenMS::EmgFitter1D::retention_
CoordinateType retention_
Parameter of emg - peak retention time.
Definition: EmgFitter1D.h:125
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::Fitter1D::CoordinateType
Feature::CoordinateType CoordinateType
Single coordinate.
Definition: Fitter1D.h:70
OpenMS::EmgFitter1D::create
static Fitter1D * create()
create new EmgFitter1D object (function needed by Factory)
Definition: EmgFitter1D.h:65
OpenMS::EmgFitter1D::Data
Helper struct (contains the size of an area and a raw data container)
Definition: EmgFitter1D.h:81
OpenMS::EmgFitter1D::EgmFitterFunctor::EgmFitterFunctor
EgmFitterFunctor(int dimensions, const EmgFitter1D::Data *data)
Definition: EmgFitter1D.h:94
LevMarqFitter1D.h
OpenMS::EmgFitter1D::EgmFitterFunctor::m_data
const EmgFitter1D::Data * m_data
Definition: EmgFitter1D.h:105
OpenMS::EmgFitter1D::Data::n
Size n
Definition: EmgFitter1D.h:86
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