Cost function for Rwp = (sum_i (( obs_i - cal_i )/sigma_i)**2 ) / (sum_i (obs_i/sigma_i)**2) More...

#include <CostFuncRwp.h>

Inheritance diagram for Mantid::CurveFitting::CostFunctions::CostFuncRwp:

Public Member Functions
	CostFuncRwp ()
	Constructor. More...

std::string	name () const override
	Get name of minimizer. More...

std::string	shortName () const override
	Get short name of minimizer - useful for say labels in guis. More...

Public Member Functions inherited from Mantid::CurveFitting::CostFunctions::CostFuncLeastSquares
	CostFuncLeastSquares ()
	Constructor. More...

std::string	name () const override
	Get name of minimizer. More...

std::string	shortName () const override
	Get short name of minimizer - useful for say labels in guis. More...

Public Member Functions inherited from Mantid::CurveFitting::CostFunctions::CostFuncFitting
void	applyTies ()
	Apply ties in the fitting function. More...

virtual void	calCovarianceMatrix (EigenMatrix &covar, double epsrel=1e-8)
	Calculates covariance matrix. More...

virtual void	calFittingErrors (const EigenMatrix &covar, double chi2)
	Calculate fitting errors. More...

	CostFuncFitting ()
	Constructor. More...

virtual void	deriv (std::vector< double > &der) const override
	Calculate the derivatives of the cost function. More...

void	drop ()
	Discard saved parameters, derivatives and hessian. More...

const EigenVector &	getDeriv () const
	Return cached or calculate the drivatives. More...

API::FunctionDomain_sptr	getDomain () const
	Get the domain the fitting function is applied to. More...

virtual API::IFunction_sptr	getFittingFunction () const
	Get fitting function. More...

const EigenMatrix &	getHessian () const
	Return cached or calculate the Hessian. More...

double	getParameter (size_t i) const override
	Get i-th parameter. More...

void	getParameters (EigenVector &params) const
	Get all parameters into a GSLVector. More...

API::FunctionValues_sptr	getValues () const
	Get FunctionValues where function values are stored. More...

size_t	nParams () const override
	Number of parameters. More...

std::string	parameterName (size_t i) const
	Get name of i-th parameter. More...

void	pop ()
	Restore saved parameters, derivatives and hessian. More...

void	push ()
	Save current parameters, derivatives and hessian. More...

void	reset () const
	Reset the fitting function (neccessary if parameters get fixed/unfixed) More...

virtual void	setFittingFunction (API::IFunction_sptr function, API::FunctionDomain_sptr domain, API::FunctionValues_sptr values)
	Set fitting function. More...

void	setParameter (size_t i, const double &value) override
	Set i-th parameter. More...

void	setParameters (const EigenVector &params)
	Set all parameters. More...

virtual double	val () const override
	Calculate value of cost function. More...

virtual double	valAndDeriv (std::vector< double > &der) const override
	Calculate the value and the derivatives of the cost function. More...

virtual double	valDerivHessian (bool evalDeriv=true, bool evalHessian=true) const
	Calculate the value, the first and the second derivatives of the cost function. More...

Public Member Functions inherited from Mantid::API::ICostFunction
virtual void	deriv (std::vector< double > &der) const =0
	Calculate the derivatives of the cost function. More...

virtual double	getParameter (size_t i) const =0
	Get i-th parameter. More...

virtual std::string	name () const =0
	Get name of minimizer. More...

virtual size_t	nParams () const =0
	Number of parameters. More...

virtual void	setParameter (size_t i, const double &value)=0
	Set i-th parameter. More...

virtual std::string	shortName () const
	Get short name of minimizer - useful for say labels in guis. More...

virtual double	val () const =0
	Calculate value of cost function. More...

virtual double	valAndDeriv (std::vector< double > &der) const =0
	Calculate the value and the derivatives of the cost function. More...

virtual	~ICostFunction ()=default
	Virtual destructor. More...

Private Member Functions
double	calSqrtW (const API::FunctionValues_sptr &values) const
	Calcualte sqrt(W). More...

std::vector< double >	getFitWeights (API::FunctionValues_sptr values) const override
	Get mapped weights from FunctionValues. More...

double	getWeight (const API::FunctionValues_sptr &values, size_t i, double sqrtW=1.0) const
	Get weight (1/sigma) More...

Friends
class	CurveFitting::ParDomain

class	CurveFitting::SeqDomain

Additional Inherited Members
Protected Member Functions inherited from Mantid::CurveFitting::CostFunctions::CostFuncLeastSquares
void	addVal (API::FunctionDomain_sptr domain, API::FunctionValues_sptr values) const override
	Add a contribution to the cost function value from the fitting function evaluated on a particular domain. More...

void	addValDerivHessian (API::IFunction_sptr function, API::FunctionDomain_sptr domain, API::FunctionValues_sptr values, bool evalDeriv=true, bool evalHessian=true) const override
	Update the cost function, derivatives and hessian by adding values calculated on a domain. More...

void	calActiveCovarianceMatrix (EigenMatrix &covar, double epsrel=1e-8) override
	Calculates covariance matrix for fitting function's active parameters. More...

virtual std::vector< double >	getFitWeights (API::FunctionValues_sptr values) const
	Get mapped weights from FunctionValues. More...

Protected Member Functions inherited from Mantid::CurveFitting::CostFunctions::CostFuncFitting
virtual void	addVal (API::FunctionDomain_sptr domain, API::FunctionValues_sptr values) const =0
	Increment to the cost function by evaluating it on a domain. More...

virtual void	addValDerivHessian (API::IFunction_sptr function, API::FunctionDomain_sptr domain, API::FunctionValues_sptr values, bool evalDeriv=true, bool evalHessian=true) const =0
	Increments the cost function and its derivatives by evaluating them on a domain. More...

virtual void	calActiveCovarianceMatrix (EigenMatrix &covar, double epsrel=1e-8)
	Calculates covariance matrix for fitting function's active parameters. More...

void	calTransformationMatrixNumerically (EigenMatrix &tm)
	Calculate the transformation matrix T by numeric differentiation. More...

void	checkValidity () const
	Throw a runtime_error if function is invalid. More...

bool	isValid () const
	Is the function set and valid? More...

void	setDirty ()
	Set all dirty flags. More...

Protected Attributes inherited from Mantid::CurveFitting::CostFunctions::CostFuncLeastSquares
double	m_factor

Protected Attributes inherited from Mantid::CurveFitting::CostFunctions::CostFuncFitting
EigenVector	m_der

bool	m_dirtyDeriv
	dirty derivatives flag More...

bool	m_dirtyHessian
	dirty hessian flag More...

bool	m_dirtyVal
	dirty value flag More...

API::FunctionDomain_sptr	m_domain
	Shared pointer to the function domain. More...

API::IFunction_sptr	m_function
	Shared pointer to the fitting function. More...

EigenMatrix	m_hessian

bool	m_includePenalty
	Flag to include constraint in cost function value. More...

std::vector< size_t >	m_indexMap
	maps the cost function's parameters to the ones of the fitting function. More...

size_t	m_numberFunParams
	Number of all parameters in the fitting function. More...

bool	m_pushed

EigenVector	m_pushedParams

double	m_pushedValue

double	m_value

API::FunctionValues_sptr	m_values
	Shared poinetr to the function values. More...

Detailed Description

Cost function for Rwp = (sum_i (( obs_i - cal_i )/sigma_i)**2 ) / (sum_i (obs_i/sigma_i)**2)

Author

Date

This file is part of Mantid.

Mantid is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version.

Mantid is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

You should have received a copy of the GNU General Public License along with this program. If not, see http://www.gnu.org/licenses/.

File change history is stored at: https://github.com/mantidproject/mantid. Code Documentation is available at: http://doxygen.mantidproject.org

Definition at line 52 of file CostFuncRwp.h.

Constructor & Destructor Documentation

◆ CostFuncRwp()

Mantid::CurveFitting::CostFunctions::CostFuncRwp::CostFuncRwp ( )

Constructor.

Definition at line 26 of file CostFuncRwp.cpp.

References m_value.

Member Function Documentation

◆ calSqrtW()

double Mantid::CurveFitting::CostFunctions::CostFuncRwp::calSqrtW ( const API::FunctionValues_sptr & values ) const

private

Calcualte sqrt(W).

Get square root of normalization weight (W)

Final cost function = sum_i [ (obs_i - cal_i) / (sigma

sqrt(W))]**2

Definition at line 54 of file CostFuncRwp.cpp.

Referenced by getFitWeights().

◆ getFitWeights()

std::vector< double > Mantid::CurveFitting::CostFunctions::CostFuncRwp::getFitWeights ( API::FunctionValues_sptr values ) const

overrideprivatevirtual

Get mapped weights from FunctionValues.

Reimplemented from Mantid::CurveFitting::CostFunctions::CostFuncLeastSquares.

Definition at line 33 of file CostFuncRwp.cpp.

References calSqrtW(), and getWeight().

◆ getWeight()

double Mantid::CurveFitting::CostFunctions::CostFuncRwp::getWeight	(	const API::FunctionValues_sptr &	values,
		size_t	i,
		double	sqrtW = `1.0`
	)		const

private

Get weight (1/sigma)

Get weight of data point i(1/sigma)

Definition at line 47 of file CostFuncRwp.cpp.

Referenced by getFitWeights().

◆ name()

std::string Mantid::CurveFitting::CostFunctions::CostFuncRwp::name ( ) const

inlineoverridevirtual

Get name of minimizer.

Reimplemented from Mantid::CurveFitting::CostFunctions::CostFuncLeastSquares.

Definition at line 58 of file CostFuncRwp.h.

◆ shortName()

std::string Mantid::CurveFitting::CostFunctions::CostFuncRwp::shortName ( ) const

inlineoverridevirtual

Get short name of minimizer - useful for say labels in guis.

Reimplemented from Mantid::CurveFitting::CostFunctions::CostFuncLeastSquares.

Definition at line 61 of file CostFuncRwp.h.

Friends And Related Function Documentation

◆ CurveFitting::ParDomain

friend class CurveFitting::ParDomain

friend

Definition at line 74 of file CostFuncRwp.h.

◆ CurveFitting::SeqDomain

friend class CurveFitting::SeqDomain

friend

Definition at line 73 of file CostFuncRwp.h.

The documentation for this class was generated from the following files:

Framework/CurveFitting/inc/MantidCurveFitting/CostFunctions/CostFuncRwp.h
Framework/CurveFitting/src/CostFunctions/CostFuncRwp.cpp

Public Member Functions

Private Member Functions

Friends

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ CostFuncRwp()

Member Function Documentation

◆ calSqrtW()

◆ getFitWeights()

◆ getWeight()

◆ name()

◆ shortName()

Friends And Related Function Documentation

◆ CurveFitting::ParDomain

◆ CurveFitting::SeqDomain