OpenMS  3.0.0
GaussFitter.h
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31 // $Maintainer: Chris Bielow $
32 // $Authors: Andreas Bertsch, Chris Bielow $
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34 //
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 
106  GaussFitter();
107 
109  virtual ~GaussFitter();
110 
112  void setInitialParameters(const GaussFitResult& result);
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 
142  GaussFitter & operator=(const GaussFitter & rhs);
143  };
144  }
145 }
146 
OpenMS::Math::GaussFitter
Implements a fitter for Gaussian functions.
Definition: GaussFitter.h:60
OpenMS::Math::GaussFitter::GaussFitResult::GaussFitResult
GaussFitResult()
Definition: GaussFitter.h:68
DPosition.h
OpenMS::Math::GaussFitter::GaussFitResult
struct of parameters of a Gaussian distribution
Definition: GaussFitter.h:65
Constants.h
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::Math::GaussFitter::GaussFitResult::sigma
double sigma
parameter sigma of Gaussian distribution (width)
Definition: GaussFitter.h:80
OpenMS::DPosition< 2 >
OpenMS::Math::GaussFitter::GaussFitResult::GaussFitResult
GaussFitResult(double a, double x, double s)
Definition: GaussFitter.h:70
OpenMS::Constants::PI
const double PI
PI.
Definition: Constants.h:75
OpenMS::Math::GaussFitter::GaussFitResult::x0
double x0
parameter x0 of Gaussian distribution (center position)
Definition: GaussFitter.h:77
OpenMS::Math::GaussFitter::GaussFitResult::A
double A
parameter A of Gaussian distribution (amplitude)
Definition: GaussFitter.h:74
OpenMS::Math::GaussFitter::init_param_
GaussFitResult init_param_
Definition: GaussFitter.h:135
String.h