A class to store values calculated by a function. More...

#include <FunctionValues.h>

Public Member Functions
void	addToCalculated (size_t i, double value)
	Add a number to a calculated value. More...

void	addToCalculated (size_t start, const FunctionValues &values)
	Add other calculated values with offset. More...

void	expand (size_t n)
	Expand values to a new size, preserve stored values. More...

	FunctionValues (const FunctionDomain &domain)
	Constructor. More...

	FunctionValues (size_t n=0)
	Constructor. More...

double	getCalculated (size_t i) const
	Get i-th calculated value. More...

double	getFitData (size_t i) const
	Get a fitting data value. More...

double	getFitWeight (size_t i) const
	Get a fitting weight. More...

double *	getPointerToCalculated (size_t i)
	Get a pointer to calculated data at index i. More...

FunctionValues &	operator*= (const FunctionValues &values)
	Multiply by other calculated values. More...

FunctionValues &	operator+= (const FunctionValues &values)
	Add other calculated values. More...

double	operator[] (size_t i) const
	Get i-th calculated value. More...

void	reset (const FunctionDomain &domain)
	Reset the values to match a new domain. More...

void	setCalculated (double value)
	set all calculated values to same number More...

void	setCalculated (size_t i, double value)
	Store i-th calculated value. More...

void	setFitData (const std::vector< double > &values)
	Set all fitting data values. More...

void	setFitData (size_t i, double value)
	Set a fitting data value. More...

void	setFitDataFromCalculated (const FunctionValues &values)
	Set all calculated values by copying them from another FunctionValues instance. More...

void	setFitWeight (size_t i, double value)
	Set a fitting weight. More...

void	setFitWeights (const double &value)
	Set all fitting weights to a number. More...

void	setFitWeights (const std::vector< double > &values)
	Set all fitting weights. More...

size_t	size () const
	Return the number of values. More...

std::vector< double >	toVector () const
	Return the calculated values as a vector. More...

void	zeroCalculated ()
	Set all calculated values to zero. More...

Protected Member Functions
void	add (double *to) const
	Add calculated values to values in a buffer and save result to the buffer. More...

void	copyTo (double *to) const
	Copy calculated values to a buffer. More...

void	multiply (double *to) const
	Multiply calculated values by values in a buffer and save result to the buffer. More...

Protected Attributes
std::vector< double >	m_calculated
	buffer for calculated values More...

std::vector< double >	m_data
	buffer for fit data More...

std::vector< double >	m_weights
	buffer for fitting weights (reciprocal errors) More...

Detailed Description

A class to store values calculated by a function.

It also can contain data a function can fit to.

Author: Roman Tolchenov, Tessella plc

Date: 15/11/2011

Definition at line 25 of file FunctionValues.h.

Constructor & Destructor Documentation

◆ FunctionValues() [1/2]

Mantid::API::FunctionValues::FunctionValues ( size_t n = 0 )

explicit

Constructor.

Parameters

n	:: A number of values to store.

Definition at line 18 of file FunctionValues.cpp.

References m_calculated, and n.

◆ FunctionValues() [2/2]

Mantid::API::FunctionValues::FunctionValues ( const FunctionDomain & domain )

explicit

Constructor.

Constructs a set of output values based on the given domain.

Parameters

domain :: A reference to the domain over which the function is calculated

Definition at line 29 of file FunctionValues.cpp.

References reset().

Member Function Documentation

◆ add()

void Mantid::API::FunctionValues::add ( double * to ) const

protected

Add calculated values to values in a buffer and save result to the buffer.

Parameters

to	:: Pointer to the buffer, it must be large enough

Definition at line 84 of file FunctionValues.cpp.

References m_calculated.

Referenced by addToCalculated(), and operator+=().

◆ addToCalculated() [1/2]

void Mantid::API::FunctionValues::addToCalculated	(	size_t	i,
		double	value
	)

inline

Add a number to a calculated value.

Parameters

i	:: An index of a value 0 <= i < size() to update.
value	:: A value to add

Definition at line 58 of file FunctionValues.h.

References value.

Referenced by Mantid::CurveFitting::Functions::PawleyFunction::function(), and Mantid::API::MultiDomainFunction::function().

◆ addToCalculated() [2/2]

void Mantid::API::FunctionValues::addToCalculated	(	size_t	start,
		const FunctionValues &	values
	)

Add other calculated values with offset.

Add other calculated values to these values starting from some index.

Parameters

start	:: A starting index for addition
values	:: An instance of FunctionValues to be added to this. The size mustn't exceed the number of values in this from start to the end.

Returns: A reference to this values.

Definition at line 132 of file FunctionValues.cpp.

References add(), getPointerToCalculated(), and size().

◆ copyTo()

void Mantid::API::FunctionValues::copyTo ( double * to ) const

protected

Copy calculated values to a buffer.

Parameters

to	:: Pointer to the buffer

Definition at line 79 of file FunctionValues.cpp.

References m_calculated.

◆ expand()

void Mantid::API::FunctionValues::expand ( size_t n )

Expand values to a new size, preserve stored values.

Expand to a new size.

Preserve old values. Do not contract.

Parameters

n	:: A new size, must be greater than the current size.

Definition at line 43 of file FunctionValues.cpp.

References m_calculated, m_data, m_weights, n, and size().

Referenced by Mantid::CurveFitting::Functions::CrystalFieldFunction::calcExcitations(), Mantid::CurveFitting::Functions::CrystalFieldMultiSpectrum::calcExcitations(), and Mantid::CurveFitting::Functions::CrystalFieldPeaks::functionGeneral().

◆ getCalculated()

double Mantid::API::FunctionValues::getCalculated ( size_t i ) const

inline

Get i-th calculated value.

Parameters

i	:: An index of a value 0 <= i < size()

Definition at line 51 of file FunctionValues.h.

Referenced by Mantid::CurveFitting::Functions::CrystalFieldUtils::buildSpectrumFunction(), Mantid::CurveFitting::Algorithms::CalculateChiSquared::calcChiSquared(), Mantid::CurveFitting::CostFunctions::CostFuncPoisson::calculateDerivative(), Mantid::Algorithms::FitPeaks::calculateFittedPeaks(), Mantid::CurveFitting::CostFunctions::CostFuncPoisson::calculateHessian(), Mantid::API::IFunction::calNumericalDeriv(), Mantid::MDAlgorithms::FitMD::createEventOutputWorkspace(), Mantid::CurveFitting::Algorithms::ConvolveWorkspaces::exec(), Mantid::Algorithms::PeakParameterHelper::observePeakCenter(), Mantid::Algorithms::PeakParameterHelper::observePeakFwhm(), and Mantid::CurveFitting::Functions::CrystalFieldUtils::updateSpectrumFunction().

◆ getFitData()

double Mantid::API::FunctionValues::getFitData ( size_t i ) const

Get a fitting data value.

Parameters

i	:: A value index

Definition at line 167 of file FunctionValues.cpp.

References m_calculated, and m_data.

Referenced by Mantid::CurveFitting::Algorithms::CalculateChiSquared::calcChiSquared(), Mantid::CurveFitting::CostFunctions::CostFuncPoisson::calculateDerivative(), Mantid::CurveFitting::CostFunctions::CostFuncPoisson::calculateHessian(), and Mantid::CurveFitting::ParameterEstimator::extractValues().

◆ getFitWeight()

double Mantid::API::FunctionValues::getFitWeight ( size_t i ) const

Get a fitting weight.

Parameters

i	:: A value index.

Definition at line 208 of file FunctionValues.cpp.

References m_calculated, and m_weights.

Referenced by Mantid::CurveFitting::Algorithms::CalculateChiSquared::calcChiSquared().

◆ getPointerToCalculated()

double * Mantid::API::FunctionValues::getPointerToCalculated ( size_t i )

Get a pointer to calculated data at index i.

Parameters

i :: Index.

Definition at line 65 of file FunctionValues.cpp.

References m_calculated, and size().

Referenced by addToCalculated(), Mantid::CurveFitting::Functions::PawleyFunction::calculateFunctionValues(), Mantid::API::IFunction1D::derivative(), Mantid::MDAlgorithms::EvaluateMDFunction::exec(), Mantid::API::IFunction1D::function(), Mantid::CurveFitting::Functions::Convolution::functionDirectMode(), Mantid::CurveFitting::Functions::Convolution::functionFFTMode(), operator*=(), and operator+=().

◆ multiply()

void Mantid::API::FunctionValues::multiply ( double * to ) const

protected

Multiply calculated values by values in a buffer and save result to the buffer.

Parameters

to	:: Pointer to the buffer, it must be large enough

Definition at line 92 of file FunctionValues.cpp.

References m_calculated.

Referenced by operator*=().

◆ operator*=()

FunctionValues & Mantid::API::FunctionValues::operator*= ( const FunctionValues & values )

Multiply by other calculated values.

Parameters

values :: An instance of FunctionValues to multiply to this. Must have the same size to this.

Returns: A reference to this values.

Definition at line 116 of file FunctionValues.cpp.

References getPointerToCalculated(), multiply(), and size().

◆ operator+=()

FunctionValues & Mantid::API::FunctionValues::operator+= ( const FunctionValues & values )

Add other calculated values.

Add other calculated values to this.

Parameters

values :: An instance of FunctionValues to be added to this. Must have the same size to this.

Returns: A reference to this values.

Definition at line 102 of file FunctionValues.cpp.

References add(), getPointerToCalculated(), and size().

◆ operator[]()

double Mantid::API::FunctionValues::operator[] ( size_t i ) const

inline

Get i-th calculated value.

Parameters

i	:: An index of a value 0 <= i < size()

Definition at line 54 of file FunctionValues.h.

◆ reset()

void Mantid::API::FunctionValues::reset ( const FunctionDomain & domain )

Reset the values to match a new domain.

Definition at line 32 of file FunctionValues.cpp.

References m_calculated, and Mantid::API::FunctionDomain::size().

Referenced by Mantid::CurveFitting::Functions::PawleyFunction::calculateFunctionValues(), and FunctionValues().

◆ setCalculated() [1/2]

void Mantid::API::FunctionValues::setCalculated ( double value )

set all calculated values to same number

Set all calculated values to same number.

Parameters

value :: A new value.

Definition at line 59 of file FunctionValues.cpp.

References m_calculated, and value.

Referenced by Mantid::CurveFitting::Functions::CrystalFieldFunction::calcExcitations(), Mantid::CurveFitting::Functions::CrystalFieldMultiSpectrum::calcExcitations(), Mantid::API::IFunctionMD::evaluateFunction(), Mantid::CurveFitting::Functions::CrystalFieldPeaks::functionGeneral(), Mantid::CurveFitting::LatticeFunction::functionLattice(), and zeroCalculated().

◆ setCalculated() [2/2]

void Mantid::API::FunctionValues::setCalculated	(	size_t	i,
		double	value
	)

inline

Store i-th calculated value.

Parameters

i	:: Index of the stored value 0 <= i < size()
value	:: A value to store.

Definition at line 48 of file FunctionValues.h.

References value.

◆ setFitData() [1/2]

void Mantid::API::FunctionValues::setFitData ( const std::vector< double > & values )

Set all fitting data values.

Parameters

values :: A vector of values for fitting. Must have the same size as this.

Definition at line 156 of file FunctionValues.cpp.

References m_data.

◆ setFitData() [2/2]

void Mantid::API::FunctionValues::setFitData	(	size_t	i,
		double	value
	)

Set a fitting data value.

Parameters

i	:: A value index
value	:: A new value to set.

Definition at line 144 of file FunctionValues.cpp.

References m_calculated, m_data, and value.

◆ setFitDataFromCalculated()

void Mantid::API::FunctionValues::setFitDataFromCalculated ( const FunctionValues & values )

Set all calculated values by copying them from another FunctionValues instance.

Set fitting data copied from other FunctionValues' calculated values.

Parameters

values :: An instance of FunctionValues to copy the data from.

Definition at line 219 of file FunctionValues.cpp.

References m_calculated, and m_data.

◆ setFitWeight()

void Mantid::API::FunctionValues::setFitWeight	(	size_t	i,
		double	value
	)

Set a fitting weight.

Parameters

i	:: A value index
value	:: A new value for the weight.

Definition at line 179 of file FunctionValues.cpp.

References m_calculated, m_weights, and value.

◆ setFitWeights() [1/2]

void Mantid::API::FunctionValues::setFitWeights ( const double & value )

Set all fitting weights to a number.

Set all weights to the same value.

Parameters

value :: The value to set.

Definition at line 202 of file FunctionValues.cpp.

References m_calculated, m_weights, and value.

◆ setFitWeights() [2/2]

void Mantid::API::FunctionValues::setFitWeights ( const std::vector< double > & values )

Set all fitting weights.

Parameters

values :: A vector of fitting weights. Must have the same size as this.

Definition at line 191 of file FunctionValues.cpp.

References m_weights.

◆ size()

size_t Mantid::API::FunctionValues::size ( ) const

inline

Return the number of values.

Definition at line 32 of file FunctionValues.h.

◆ toVector()

std::vector< double > Mantid::API::FunctionValues::toVector ( ) const

inline

Return the calculated values as a vector.

Definition at line 86 of file FunctionValues.h.

Referenced by Mantid::CurveFitting::Algorithms::estimateBackgroundCoarse(), Mantid::Algorithms::CreateSampleWorkspace::evalFunction(), Mantid::CurveFitting::Functions::evaluateFunctionOnRange(), Mantid::CurveFitting::Algorithms::LeBailFit::execRefineBackground(), Mantid::CurveFitting::Algorithms::RefinePowderInstrumentParameters3::genOutputWorkspace(), Mantid::MDAlgorithms::IntegratePeaksMD::integrate(), Mantid::MDAlgorithms::IntegratePeaksMD2::integrate(), and Mantid::Algorithms::FitPeak::setupOutput().

◆ zeroCalculated()

void Mantid::API::FunctionValues::zeroCalculated ( )

Set all calculated values to zero.

Definition at line 73 of file FunctionValues.cpp.

References setCalculated().

Referenced by Mantid::CurveFitting::Functions::Convolution::function(), Mantid::CurveFitting::Functions::PawleyFunction::function(), Mantid::API::CompositeFunction::function(), Mantid::API::MultiDomainFunction::function(), Mantid::CurveFitting::Functions::Convolution::functionDirectMode(), and Mantid::CurveFitting::Functions::Convolution::functionFFTMode().

Member Data Documentation

◆ m_calculated

std::vector<double> Mantid::API::FunctionValues::m_calculated

protected

buffer for calculated values

Definition at line 100 of file FunctionValues.h.

Referenced by add(), copyTo(), expand(), FunctionValues(), getFitData(), getFitWeight(), getPointerToCalculated(), multiply(), reset(), setCalculated(), setFitData(), setFitDataFromCalculated(), setFitWeight(), and setFitWeights().

◆ m_data

std::vector<double> Mantid::API::FunctionValues::m_data

protected

buffer for fit data

Definition at line 102 of file FunctionValues.h.

Referenced by expand(), getFitData(), setFitData(), and setFitDataFromCalculated().

◆ m_weights

std::vector<double> Mantid::API::FunctionValues::m_weights

protected

buffer for fitting weights (reciprocal errors)

Definition at line 104 of file FunctionValues.h.

Referenced by expand(), getFitWeight(), setFitWeight(), and setFitWeights().

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

Framework/API/inc/MantidAPI/FunctionValues.h
Framework/API/src/FunctionValues.cpp

Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

Constructor & Destructor Documentation

◆ FunctionValues() [1/2]

◆ FunctionValues() [2/2]

Member Function Documentation

◆ add()

◆ addToCalculated() [1/2]

◆ addToCalculated() [2/2]

◆ copyTo()

◆ expand()

◆ getCalculated()

◆ getFitData()

◆ getFitWeight()

◆ getPointerToCalculated()

◆ multiply()

◆ operator*=()

◆ operator+=()

◆ operator[]()

◆ reset()

◆ setCalculated() [1/2]

◆ setCalculated() [2/2]

◆ setFitData() [1/2]

◆ setFitData() [2/2]

◆ setFitDataFromCalculated()

◆ setFitWeight()

◆ setFitWeights() [1/2]

◆ setFitWeights() [2/2]

◆ size()

◆ toVector()

◆ zeroCalculated()

Member Data Documentation

◆ m_calculated

◆ m_data

◆ m_weights