OpenMS  2.6.0
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), logsigma(-1.0) {}
70  GaussFitResult(double a, double x, double s)
71  : A(a), x0(x), sigma(s), logsigma(log(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:
103  double logsigma;
104  double halflogtwopi = 0.5*log(2.0*Constants::PI);
105  };
106 
108  GaussFitter();
109 
111  virtual ~GaussFitter();
112 
114  void setInitialParameters(const GaussFitResult& result);
115 
123  GaussFitResult fit(std::vector<DPosition<2> > & points) const;
124 
133  static std::vector<double> eval(const std::vector<double>& evaluation_points, const GaussFitResult& model);
134 
135 protected:
136 
138 
139 private:
141  GaussFitter(const GaussFitter & rhs);
142 
144  GaussFitter & operator=(const GaussFitter & rhs);
145  };
146  }
147 }
148 
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::Math::GaussFitter::GaussFitResult::logsigma
double logsigma
cached value of log sigma
Definition: GaussFitter.h:103
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
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.
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:137
String.h