| OpenMS 2.5.0

GaussFitter.h
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30 // --------------------------------------------------------------------------
31 // $Maintainer: Chris Bielow $
32 // $Authors: Andreas Bertsch, Chris Bielow $
33 // --------------------------------------------------------------------------
34 //
35
36 #pragma once
37
38 #include <OpenMS/DATASTRUCTURES/String.h>
39 #include <OpenMS/DATASTRUCTURES/DPosition.h>
40 #include <OpenMS/CONCEPT/Constants.h>
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:
68 GaussFitResult()
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
137 GaussFitResult init_param_;
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
Constants.h
OpenMS::Math::GaussFitter::GaussFitResult::GaussFitResult
GaussFitResult(double a, double x, double s)
Definition: GaussFitter.h:70
OpenMS::Math::GaussFitter::GaussFitResult
struct of parameters of a Gaussian distribution
Definition: GaussFitter.h:65
OpenMS::Constants::PI
const double PI
PI.
String.h
DPosition.h
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::Math::GaussFitter::GaussFitResult::x0
double x0
parameter x0 of Gaussian distribution (center position)
Definition: GaussFitter.h:77
Math
OpenMS::Math::GaussFitter::init_param_
GaussFitResult init_param_
Definition: GaussFitter.h:137
OpenMS::Math::GaussFitter::GaussFitResult::logsigma
double logsigma
cached value of log sigma
Definition: GaussFitter.h:103
OpenMS::DPosition< 2 >
OpenMS::Math::GaussFitter::GaussFitResult::GaussFitResult
GaussFitResult()
Definition: GaussFitter.h:68
OpenMS::Math::GaussFitter::GaussFitResult::sigma
double sigma
parameter sigma of Gaussian distribution (width)
Definition: GaussFitter.h:80
OpenMS::Math::GaussFitter::GaussFitResult::A
double A
parameter A of Gaussian distribution (amplitude)
Definition: GaussFitter.h:74