B-spline model for transformations. More...

#include <OpenMS/ANALYSIS/MAPMATCHING/TransformationModel.h>

Inheritance diagram for TransformationModelBSpline:

Public Member Functions
	TransformationModelBSpline (const DataPoints &data, const Param &params)
	Constructor.
	~TransformationModelBSpline ()
	Destructor.
DoubleReal	evaluate (const DoubleReal value) const
	Evaluates the model at the given value.
Static Public Member Functions
static void	getDefaultParameters (Param &params)
	Gets the default parameters.
Protected Member Functions
void	getQuantiles_ (const gsl_vector x, const std::vector< double > &quantiles, gsl_vector results)
	Finds quantile values.
void	computeFit_ ()
	Computes the B-spline fit.
void	computeLinear_ (const double pos, double &slope, double &offset, double &sd_err)
	Computes the linear extrapolation.
Protected Attributes
gsl_vector *	x_
	Vectors for B-spline computation.
gsl_vector *	y_
gsl_vector *	w_
gsl_vector *	bsplines_
gsl_vector *	coeffs_
gsl_matrix *	cov_
	Covariance matrix.
gsl_bspline_workspace *	workspace_
	B-spline workspace.
size_t	size_
	Number of data points and coefficients.
size_t	ncoeffs_
double	xmin_
double	xmax_
double	slope_min_
	Parameters for linear extrapolation.
double	slope_max_
double	offset_min_
double	offset_max_
double	sd_err_left_
	Fitting errors of linear extrapolation.
double	sd_err_right_

Detailed Description

B-spline model for transformations.

In the range of the data points, the transformation is evaluated from a cubic smoothing spline fit to the points. The number of breakpoints is given as a parameter (num_breakpoints). Outside of this range, linear extrapolation through the last point with the slope of the spline at that point is used.

Positioning of the breakpoints is controlled by the parameter break_positions. Valid choices are "uniform" (equidistant spacing on the data range) and "quantiles" (equal numbers of data points in every interval).

Constructor & Destructor Documentation

TransformationModelBSpline	(	const DataPoints &	data,
		const Param &	params
	)

Constructor.

Exceptions:

IllegalArgument is thrown if not enough data points are given or if the required parameter num_breakpoints is missing.

~TransformationModelBSpline ( )

Destructor.

Member Function Documentation

void computeFit_ ( ) [protected]

Computes the B-spline fit.

void computeLinear_	(	const double	pos,
		double &	slope,
		double &	offset,
		double &	sd_err
	)			`[protected]`

Computes the linear extrapolation.

DoubleReal evaluate ( const DoubleReal value ) const [virtual]

Evaluates the model at the given value.

Reimplemented from TransformationModel.

static void getDefaultParameters ( Param & params ) [static]

Gets the default parameters.

Reimplemented from TransformationModel.

void getQuantiles_	(	const gsl_vector *	x,
		const std::vector< double > &	quantiles,
		gsl_vector *	results
	)			`[protected]`

Finds quantile values.

Parameters:

	x	Data vector to find quantiles in
	quantiles	Quantiles to find (values between 0 and 1)
	results	Resulting quantiles (vector must be already allocated to the correct size!)