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GaussFitter.h
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35 
36 #ifndef OPENMS_MATH_STATISTICS_GAUSSFITTER_H
37 #define OPENMS_MATH_STATISTICS_GAUSSFITTER_H
38 
41 
42 #include <vector>
43 
44 // gsl includes
45 #include <gsl/gsl_rng.h>
46 #include <gsl/gsl_vector.h>
47 #include <gsl/gsl_multifit_nlin.h>
48 
49 namespace OpenMS
50 {
51  namespace Math
52  {
66  class OPENMS_DLLAPI GaussFitter
67  {
68 public:
69 
72  {
73 public:
74 
76  double A;
77 
79  double x0;
80 
82  double sigma;
83  };
84 
86  GaussFitter();
87 
89  virtual ~GaussFitter();
90 
92  void setInitialParameters(const GaussFitResult & result);
93 
101  GaussFitResult fit(std::vector<DPosition<2> > & points);
102 
104  const String & getGnuplotFormula() const;
105 
106 protected:
107 
108  static int gaussFitterf_(const gsl_vector * x, void * params, gsl_vector * f);
109 
110  static int gaussFitterdf_(const gsl_vector * x, void * params, gsl_matrix * J);
111 
112  static int gaussFitterfdf_(const gsl_vector * x, void * params, gsl_vector * f, gsl_matrix * J);
113 
114  void printState_(size_t iter, gsl_multifit_fdfsolver * s);
115 
117 
119 
120 private:
121 
123  GaussFitter(const GaussFitter & rhs);
124 
126  GaussFitter & operator=(const GaussFitter & rhs);
127  };
128  }
129 }
130 
131 #endif
String gnuplot_formula_
Definition: GaussFitter.h:118
A more convenient string class.
Definition: String.h:56
Implements a fitter for gaussian functions.
Definition: GaussFitter.h:66
double x0
parameter x0 of gaussian distribution (left/right shift)
Definition: GaussFitter.h:79
double sigma
parameter sigma of gaussian distribution (width)
Definition: GaussFitter.h:82
double A
parameter A of gaussian distribution (amplitude)
Definition: GaussFitter.h:76
GaussFitResult init_param_
Definition: GaussFitter.h:116
struct of parameters of a gaussian distribution
Definition: GaussFitter.h:71

OpenMS / TOPP release 1.11.1 Documentation generated on Thu Nov 14 2013 11:19:14 using doxygen 1.8.5