OpenMS
GaussFitter.h
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31 // $Maintainer: Chris Bielow $
32 // $Authors: Andreas Bertsch, Chris Bielow $
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35 
36 #pragma once
37 
41 
42 #include <cmath>
43 #include <vector>
44 
45 namespace OpenMS
46 {
47  namespace Math
48  {
60  class OPENMS_DLLAPI GaussFitter
61  {
62 public:
63 
65  struct OPENMS_DLLAPI GaussFitResult
66  {
67 public:
69  : A(-1.0), x0(-1.0), sigma(-1.0) {}
70  GaussFitResult(double a, double x, double s)
71  : A(a), x0(x), sigma(s) {}
72 
74  double A;
75 
77  double x0;
78 
80  double sigma;
81 
82 
90  double eval(double x) const;
91 
99  double log_eval_no_normalize(double x) const;
100 
101  private:
102  double halflogtwopi = 0.5*log(2.0*Constants::PI);
103  };
104 
107 
109  virtual ~GaussFitter();
110 
113 
121  GaussFitResult fit(std::vector<DPosition<2> > & points) const;
122 
131  static std::vector<double> eval(const std::vector<double>& evaluation_points, const GaussFitResult& model);
132 
133 protected:
134 
136 
137 private:
139  GaussFitter(const GaussFitter & rhs);
140 
143  };
144  }
145 }
146 
Implements a fitter for Gaussian functions.
Definition: GaussFitter.h:61
void setInitialParameters(const GaussFitResult &result)
sets the initial parameters used by the fit method as initial guess for the Gaussian
GaussFitter & operator=(const GaussFitter &rhs)
Assignment operator (not implemented)
virtual ~GaussFitter()
Destructor.
static std::vector< double > eval(const std::vector< double > &evaluation_points, const GaussFitResult &model)
Evaluate the current Gaussian model at the specified points.
GaussFitResult fit(std::vector< DPosition< 2 > > &points) const
Fits a Gaussian distribution to the given data points.
GaussFitter(const GaussFitter &rhs)
Copy constructor (not implemented)
GaussFitResult init_param_
Definition: GaussFitter.h:135
const double PI
PI.
Definition: Constants.h:75
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:48
struct of parameters of a Gaussian distribution
Definition: GaussFitter.h:66
double log_eval_no_normalize(double x) const
Evaluate the current log density of the Gaussian model at the specified point.
double A
parameter A of Gaussian distribution (amplitude)
Definition: GaussFitter.h:74
double eval(double x) const
Evaluate the current density Gaussian model at the specified point.
GaussFitResult(double a, double x, double s)
Definition: GaussFitter.h:70
double sigma
parameter sigma of Gaussian distribution (width)
Definition: GaussFitter.h:80
GaussFitResult()
Definition: GaussFitter.h:68
double x0
parameter x0 of Gaussian distribution (center position)
Definition: GaussFitter.h:77