Abstract class for 1D-model fitter using Levenberg-Marquardt algorithm for parameter optimization. More...

#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/LevMarqFitter1D.h>

Inheritance diagram for LevMarqFitter1D:

Public Types
typedef std::vector< double >	ContainerType
Public Member Functions
	LevMarqFitter1D ()
	Default constructor.
	LevMarqFitter1D (const LevMarqFitter1D &source)
	copy constructor
virtual	~LevMarqFitter1D ()
	destructor
virtual LevMarqFitter1D &	operator= (const LevMarqFitter1D &source)
	assignment operator
Protected Member Functions
virtual void	printState_ (Int iter, gsl_multifit_fdfsolver *s)=0
const String	getGslStatus_ ()
	Return GSL status as string.
void	optimize_ (const RawDataArrayType &set, Int num_params, CoordinateType x_init[], Int(residual)(const gsl_vector x, void params, gsl_vector f), Int(jacobian)(const gsl_vector x, void params, gsl_matrix J), Int(evaluate)(const gsl_vector x, void params, gsl_vector f, gsl_matrix J), void advanced_params)
	Optimize start parameter.
void	updateMembers_ ()
Protected Attributes
Int	gsl_status_
	GSL status.
bool	symmetric_
	Parameter indicates symmetric peaks.
Int	max_iteration_
	Maximum number of iterations.
CoordinateType	abs_error_
	Absolute error.
CoordinateType	rel_error_
	Relative error.

Detailed Description

Abstract class for 1D-model fitter using Levenberg-Marquardt algorithm for parameter optimization.

Member Typedef Documentation

typedef std::vector<double> ContainerType

Constructor & Destructor Documentation

LevMarqFitter1D ( ) [inline]

Default constructor.

References StringList::create().

LevMarqFitter1D ( const LevMarqFitter1D & source ) [inline]

copy constructor

virtual ~LevMarqFitter1D ( ) [inline, virtual]

destructor

Member Function Documentation

const String getGslStatus_ ( ) [inline, protected]

Return GSL status as string.

virtual LevMarqFitter1D& operator= ( const LevMarqFitter1D & source ) [inline, virtual]

assignment operator

References LevMarqFitter1D::abs_error_, LevMarqFitter1D::max_iteration_, Fitter1D::operator=(), and LevMarqFitter1D::rel_error_.

void optimize_	(	const RawDataArrayType &	set,
		Int	num_params,
		CoordinateType	x_init[],
		Int()(const gsl_vector x, void params, gsl_vector f)	residual,
		Int()(const gsl_vector x, void params, gsl_matrix J)	jacobian,
		Int()(const gsl_vector x, void params, gsl_vector f, gsl_matrix *J)	evaluate,
		void *	advanced_params
	)			`[inline, protected]`

Optimize start parameter.

Exceptions:

Exception::UnableToFit

is thrown if fitting cannot be performed

References OpenMS::Constants::c, ERR, and FIT.

virtual void printState_	(	Int	iter,
		gsl_multifit_fdfsolver *	s
	)			`[protected, pure virtual]`

Display the intermediate state of the solution. The solver state contains the vector s->x which is the current position, and the vector s->f with corresponding function values

Implemented in EGHFitter1D, EmgFitter1D, LmaGaussFitter1D, and LmaIsotopeFitter1D.

void updateMembers_ ( ) [inline, protected, virtual]

Reimplemented from Fitter1D.

Reimplemented in EGHFitter1D, EmgFitter1D, LmaGaussFitter1D, and LmaIsotopeFitter1D.

References Fitter1D::updateMembers_().

Member Data Documentation

CoordinateType abs_error_ [protected]

Absolute error.

Test for the convergence of the sequence by comparing the last iteration step dx with the absolute error epsabs and relative error epsrel to the current position x

Referenced by LevMarqFitter1D::operator=().

Int gsl_status_ [protected]

GSL status.

Int max_iteration_ [protected]

Maximum number of iterations.

Referenced by LevMarqFitter1D::operator=().

CoordinateType rel_error_ [protected]

Relative error.

Referenced by LevMarqFitter1D::operator=().

bool symmetric_ [protected]

Parameter indicates symmetric peaks.

OpenMS / TOPP release 1.10.0