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EGHFitter1D.h
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34 
35 #ifndef OPENMS_SIMULATION_EGHFITTER1D_H
36 #define OPENMS_SIMULATION_EGHFITTER1D_H
37 
38 #define DEBUG_FEATUREFINDER
39 
41 
42 namespace OpenMS
43 {
49  class OPENMS_DLLAPI EGHFitter1D :
50  public LevMarqFitter1D
51  {
52 public:
54  EGHFitter1D();
55 
57  EGHFitter1D(const EGHFitter1D & source);
58 
60  virtual ~EGHFitter1D();
61 
63  virtual EGHFitter1D & operator=(const EGHFitter1D & source);
64 
66  static Fitter1D * create()
67  {
68  return new EGHFitter1D();
69  }
70 
72  static const String getProductName()
73  {
74  return "EGHFitter1D";
75  }
76 
78  QualityType fit1d(const RawDataArrayType & range, InterpolationModel * & model);
79 
80 protected:
81 
83  struct Data
84  {
85  typedef Peak1D PeakType;
86  typedef std::vector<PeakType> RawDataArrayType;
87 
89  RawDataArrayType set;
90  };
91 
93  {
94  public:
95  EGHFitterFunctor(int dimensions, const EGHFitter1D::Data * data)
96  : LevMarqFitter1D::GenericFunctor(dimensions, data->n), m_data(data) {}
97 
98  int operator()(const Eigen::VectorXd &x, Eigen::VectorXd &fvec);
99  // compute Jacobian matrix for the different parameters
100  int df(const Eigen::VectorXd &x, Eigen::MatrixXd &J);
101 
102  protected:
104  };
105 
107  virtual void setInitialParameters_(const RawDataArrayType & set);
108 
117 
118  void updateMembers_();
119  };
120 
121 }
122 
123 #endif // OPENMS_SIMULATION_EGHFITTER1D_H
Abstract class for 1D-model fitter using Levenberg-Marquardt algorithm for parameter optimization...
Definition: LevMarqFitter1D.h:52
EGHFitterFunctor(int dimensions, const EGHFitter1D::Data *data)
Definition: EGHFitter1D.h:95
A more convenient string class.
Definition: String.h:57
static Fitter1D * create()
create new EGHFitter1D object (function needed by Factory)
Definition: EGHFitter1D.h:66
Size n
Definition: EGHFitter1D.h:88
Definition: LevMarqFitter1D.h:62
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
Helper struct (contains the size of an area and a raw data container)
Definition: EGHFitter1D.h:83
Abstract class for 1D-models that are approximated using linear interpolation.
Definition: InterpolationModel.h:55
Peak1D PeakType
Definition: EGHFitter1D.h:85
A 1-dimensional raw data point or peak.
Definition: Peak1D.h:55
static const String getProductName()
name of the model (needed by Factory)
Definition: EGHFitter1D.h:72
CoordinateType sigma_square_
Parameter of egh - sigma-square.
Definition: EGHFitter1D.h:114
std::vector< PeakType > RawDataArrayType
Definition: EGHFitter1D.h:86
Exponential-Gaussian hybrid distribution fitter (1-dim.) using Levenberg-Marquardt algorithm (Eigen i...
Definition: EGHFitter1D.h:49
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:128
Abstract base class for all 1D-dimensional model fitter.
Definition: Fitter1D.h:59
const EGHFitter1D::Data * m_data
Definition: EGHFitter1D.h:103
CoordinateType tau_
Parameter of egh - tau.
Definition: EGHFitter1D.h:112
CoordinateType height_
Parameter of egh - peak height.
Definition: EGHFitter1D.h:110
Definition: EGHFitter1D.h:92
CoordinateType retention_
Parameter of egh - peak retention time.
Definition: EGHFitter1D.h:116
std::vector< PeakType > RawDataArrayType
Raw data container type using for the temporary storage of the input data.
Definition: Fitter1D.h:76

OpenMS / TOPP release 2.3.0 Documentation generated on Tue Jan 9 2018 18:22:00 using doxygen 1.8.13