| OpenMS 2.5.0

Classes | Public Member Functions | Static Public Member Functions | Protected Attributes | Private Member Functions | List of all members
GaussFitter Class Reference
Math

Implements a fitter for Gaussian functions. More...

`#include <OpenMS/MATH/STATISTICS/GaussFitter.h>`

## Classes

struct | GaussFitResult
| struct of parameters of a Gaussian distribution More...

## Public Member Functions

| GaussFitter ()
| Constructor. More...
virtual | ~GaussFitter ()
| Destructor. More...
void | setInitialParameters (const GaussFitResult &result)
| sets the initial parameters used by the fit method as initial guess for the Gaussian More...
GaussFitResult | fit (std::vector< DPosition< 2 > > &points) const
| Fits a Gaussian distribution to the given data points. More...

## Static Public Member Functions

static std::vector< double > | eval (const std::vector< double > &evaluation_points, const GaussFitResult &model)
| Evaluate the current Gaussian model at the specified points. More...

## Protected Attributes

GaussFitResult | init_param_

## Private Member Functions

| GaussFitter (const GaussFitter &rhs)
| Copy constructor (not implemented) More...
GaussFitter & | operator= (const GaussFitter &rhs)
| Assignment operator (not implemented) More...

## Detailed Description

Implements a fitter for Gaussian functions.

This class fits a Gaussian distribution to a number of data points. The results as well as the initial guess are specified using the struct GaussFitResult.

The complete Gaussian formula with the fitted parameters can be transformed into a gnuplot formula using getGnuplotFormula after fitting.

## Constructor & Destructor Documentation

## ◆ GaussFitter() [1/2]

GaussFitter | ( |  | ) |

Constructor.

## ◆ ~GaussFitter()

virtual ~GaussFitter | ( |  | ) |

virtual

Destructor.

## ◆ GaussFitter() [2/2]

GaussFitter | ( | const GaussFitter & | rhs | ) |

private

Copy constructor (not implemented)

## Member Function Documentation

## ◆ eval()

static std::vector<double> eval | ( | const std::vector< double > & | evaluation_points,
|  | const GaussFitResult & | model
| ) |  |

static

Evaluate the current Gaussian model at the specified points.

Returns the intensities (i.e. probabilities scaled by the factor 'A') of the PDF at the given positions. This function can be called with any set of parameters, e.g. the initial parameters (to get a 'before-fit' status), or after fitting.

## ◆ fit()

GaussFitResult fit | ( | std::vector< DPosition< 2 > > & | points | ) | const

Fits a Gaussian distribution to the given data points.

Parameters

  points | the data points used for the Gaussian fitting

Exceptions

  Exception::UnableToFit | is thrown if fitting cannot be performed

## ◆ operator=()

GaussFitter& operator= | ( | const GaussFitter & | rhs | ) |

private

Assignment operator (not implemented)

## ◆ setInitialParameters()

void setInitialParameters | ( | const GaussFitResult & | result | ) |

sets the initial parameters used by the fit method as initial guess for the Gaussian

## Member Data Documentation

## ◆ init_param_

GaussFitResult init_param_

protected