This is a specialization of IFunction for functions of one real argument. More...

#include <IFunction1D.h>

Inheritance diagram for Mantid::API::IFunction1D:

Public Member Functions
virtual void	derivative (const FunctionDomain &domain, FunctionValues &values, const size_t order=1) const

virtual void	derivative1D (double out, const double xValues, const size_t nData, const size_t order) const
	Function to calculate the derivatives of the data set. More...

void	function (const FunctionDomain &domain, FunctionValues &values) const override
	Evaluates the function for all arguments in the domain. More...

virtual void	function1D (double out, const double xValues, const size_t nData) const =0
	Function you want to fit to. More...

void	functionDeriv (const FunctionDomain &domain, Jacobian &jacobian) override
	Derivatives of function with respect to active parameters. More...

virtual void	functionDeriv1D (Jacobian jacobian, const double xValues, const size_t nData)
	Derivatives of function with respect to active parameters. More...

Public Member Functions inherited from Mantid::API::IFunction
std::string	asString () const
	Writes itself into a string. More...

bool	cancellationRequestReceived () const
	Returns true if a progress reporter is set & evalaution has been requested to stop. More...

virtual const std::vector< std::string >	categories () const
	Function to return all of the categories that contain this algorithm. More...

virtual const std::string	category () const
	The categories the Fit function belong to. More...

virtual const std::string	categorySeparator () const
	Function to return the sperator token for the category string. More...

virtual std::shared_ptr< IFunction >	clone () const
	Virtual copy constructor. More...

virtual int64_t	estimateNoProgressCalls () const
	Returns an estimate of the number of progress reports a single evaluation of the function will have. More...

virtual void	function (const FunctionDomain &domain, FunctionValues &values) const =0
	Evaluates the function for all arguments in the domain. More...

virtual void	functionDeriv (const FunctionDomain &domain, Jacobian &jacobian)
	Derivatives of function with respect to active parameters. More...

	IFunction ()
	Constructor. More...

	IFunction (const IFunction &)=delete
	No copying. More...

virtual void	initialize ()
	Iinialize the function. More...

virtual void	iterationFinished ()
	Called at the end of an iteration. More...

virtual void	iterationStarting ()
	Called at the start of each iteration. More...

virtual std::string	name () const =0
	Returns the function's name. More...

IFunction &	operator= (const IFunction &)=delete
	No copying. More...

virtual void	registerFunctionUsage (bool internal)
	Registers the usage of the algorithm with the UsageService. More...

void	reportProgress (const std::string &msg="") const
	Reports progress with an optional message. More...

virtual void	setMatrixWorkspace (std::shared_ptr< const API::MatrixWorkspace > workspace, size_t wi, double startX, double endX)
	Set matrix workspace. More...

void	setProgressReporter (std::shared_ptr< Kernel::ProgressBase > reporter)
	Attach a progress reporter. More...

virtual void	setWorkspace (std::shared_ptr< const Workspace > ws)
	Set the workspace. More...

virtual	~IFunction ()
	Virtual destructor. More...

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

virtual void	setParameterDescription (size_t, const std::string &description)=0
	Set i-th parameter description. More...

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

virtual void	setParameter (const std::string &name, const double &value, bool explicitlySet=true)=0
	Set parameter by name. More...

virtual void	setParameterDescription (const std::string &name, const std::string &description)=0
	Set description of parameter by name. More...

virtual double	getParameter (const std::string &name) const =0
	Get parameter by name. More...

virtual bool	hasParameter (const std::string &name) const =0
	Check if function has a parameter with this name. More...

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

virtual size_t	parameterIndex (const std::string &name) const =0
	Returns the index of parameter name. More...

virtual std::string	parameterName (size_t i) const =0
	Returns the name of parameter i. More...

virtual std::string	parameterDescription (size_t i) const =0
	Returns the description of parameter i. More...

virtual bool	isExplicitlySet (size_t i) const =0
	Checks if a parameter has been set explicitly. More...

virtual double	getError (size_t i) const =0
	Get the fitting error for a parameter. More...

virtual double	getError (const std::string &name) const =0
	Get the fitting error for a parameter by name. More...

virtual void	setError (size_t i, double err)=0
	Set the fitting error for a parameter. More...

virtual void	setError (const std::string &name, double err)=0
	Set the fitting error for a parameter by name. More...

bool	isFixed (size_t i) const
	Check if a parameter i is fixed. More...

bool	isFixedByDefault (size_t i) const
	Check if a parameter i is fixed by default (not by user). More...

void	fix (size_t i, bool isDefault=false)
	Removes a parameter i from the list of active. More...

void	unfix (size_t i)
	Restores a declared parameter i to the active status. More...

void	fixParameter (const std::string &name, bool isDefault=false)
	Fix a parameter. More...

void	unfixParameter (const std::string &name)
	Free a parameter. More...

void	fixAll (bool isDefault=false)
	Fix all parameters. More...

void	unfixAll ()
	Free all parameters. More...

void	unfixAllDefault ()
	Free all parameters fixed by default. More...

void	fixAllActive (bool isDefault=false)
	Fix all active parameters. More...

virtual size_t	getParameterIndex (const ParameterReference &ref) const =0
	Return parameter index from a parameter reference. More...

std::vector< std::string >	getParameterNames () const
	Return a vector with all parameter names. More...

virtual double	activeParameter (size_t i) const
	Value of i-th active parameter. More...

virtual void	setActiveParameter (size_t i, double value)
	Set new value of i-th active parameter. More...

virtual std::string	nameOfActive (size_t i) const
	Returns the name of active parameter i. More...

virtual std::string	descriptionOfActive (size_t i) const
	Returns the name of active parameter i. More...

bool	isActive (size_t i) const
	Check if an active parameter i is actually active. More...

virtual void	tie (const std::string &parName, const std::string &expr, bool isDefault=false)
	Tie a parameter to other parameters (or a constant) More...

virtual void	addTies (const std::string &ties, bool isDefault=false)
	Add several ties. More...

virtual void	applyTies ()
	Apply the ties. More...

virtual void	removeTie (const std::string &parName)
	Removes the tie off a parameter. More...

virtual void	clearTies ()
	Remove all ties. More...

virtual bool	removeTie (size_t i)
	Removes i-th parameter's tie. More...

virtual ParameterTie *	getTie (size_t i) const
	Get the tie of i-th parameter. More...

virtual bool	ignoreTie (const ParameterTie &) const
	Ignore a tie. More...

void	sortTies ()
	Put all ties in order in which they will be applied correctly. More...

std::string	writeTies () const
	Write a parameter tie to a string. More...

virtual void	addConstraints (const std::string &str, bool isDefault=false)
	Add a list of conatraints from a string. More...

virtual void	addConstraint (std::unique_ptr< IConstraint > ic)
	Add a constraint to function. More...

virtual IConstraint *	getConstraint (size_t i) const
	Get constraint of i-th parameter. More...

virtual void	removeConstraint (const std::string &parName)
	Remove a constraint. More...

virtual void	setConstraintPenaltyFactor (const std::string &parName, const double &c)
	Set a constraint penalty. More...

std::string	writeConstraints () const
	Write a parameter constraint to a string. More...

virtual void	clearConstraints ()
	Remove all constraints. More...

virtual size_t	nAttributes () const
	Returns the number of attributes associated with the function. More...

virtual std::vector< std::string >	getAttributeNames () const
	Returns a list of attribute names. More...

virtual std::string	attributeName (size_t index) const
	Get name of ith attribute. More...

virtual Attribute	getAttribute (const std::string &name) const
	Return a value of attribute attName. More...

virtual void	setAttribute (const std::string &name, const Attribute &)
	Set a value to attribute attName. More...

virtual bool	hasAttribute (const std::string &name) const
	Check if attribute attName exists. More...

template<typename T >
void	setAttributeValue (const std::string &attName, const T &value)
	Set an attribute value. More...

void	setAttributeValue (const std::string &attName, const char *value)
	Overload for const char* values. More...

void	setAttributeValue (const std::string &attName, const std::string &value)
	Set string attribute by value. More...

virtual std::shared_ptr< IFunction >	getFunction (size_t i) const
	Returns the pointer to i-th child function. More...

virtual std::size_t	nFunctions () const
	Number of child functions. More...

virtual void	setUpForFit ()
	Set up the function for a fit. More...

virtual size_t	getValuesSize (const FunctionDomain &domain) const
	Get number of values for a given domain. More...

virtual size_t	getNumberDomains () const
	Get number of domains required by this function. More...

virtual std::vector< std::shared_ptr< IFunction > >	createEquivalentFunctions () const
	Split this function (if needed) into a list of independent functions. More...

void	calNumericalDeriv (const FunctionDomain &domain, Jacobian &jacobian)
	Calculate numerical derivatives. More...

double	calculateStepSize (const double parameterValue) const
	Calculate step size for the given parameter value. More...

void	setCovarianceMatrix (const std::shared_ptr< Kernel::Matrix< double > > &covar)
	Set the covariance matrix. More...

std::shared_ptr< const Kernel::Matrix< double > >	getCovarianceMatrix () const
	Get the covariance matrix. More...

void	setReducedChiSquared (double chi2)
	Set the reduced chi^2. More...

double	getReducedChiSquared () const
	Get the reduced chi^2. More...

void	setParallel (bool on)
	Set the parallel hint. More...

bool	isParallel () const
	Get the parallel hint. More...

void	setHandler (std::unique_ptr< FunctionHandler > handler)
	Set a function handler. More...

FunctionHandler *	getHandler () const
	Return the handler. More...

virtual void	setParameterStatus (size_t i, ParameterStatus status)=0
	Change status of parameter. More...

virtual ParameterStatus	getParameterStatus (size_t i) const =0
	Get status of parameter. More...

virtual void	setStepSizeMethod (const StepSizeMethod method)
	Sets the StepSizeMethod to use when calculation the step size. More...

Protected Types
template<typename FunctionType >
using	Function1DMethod = void(FunctionType::)(double , const double *, const size_t) const

Protected Member Functions
template<typename EvaluationMethod >
void	calcNumericalDerivative1D (Jacobian jacobian, EvaluationMethod func1D, const double xValues, const size_t nData)
	Calculate a numerical derivative for the 1D data. More...

virtual void	histogram1D (double out, double left, const double right, const size_t nBins) const
	Calculate histogram data for the given bin boundaries. More...

virtual void	histogramDerivative1D (Jacobian jacobian, double left, const double right, const size_t nBins) const
	Derivatives of the histogram1D with respect to active parameters. More...

Protected Member Functions inherited from Mantid::API::IFunction
virtual void	init ()
	Function initialization. Declare function parameters in this method. More...

virtual void	declareParameter (const std::string &name, double initValue=0, const std::string &description="")=0
	Declare a new parameter. More...

double	convertValue (double value, Kernel::Unit_sptr &outUnit, const std::shared_ptr< const MatrixWorkspace > &ws, size_t wsIndex) const
	Convert a value from one unit (inUnit) to unit defined in workspace (ws) More...

void	convertValue (std::vector< double > &values, Kernel::Unit_sptr &outUnit, const std::shared_ptr< const MatrixWorkspace > &ws, size_t wsIndex) const
	Convert values from unit defined in workspace (ws) to outUnit. More...

virtual void	declareAttributes ()
	Override to declare function attributes. More...

virtual void	declareParameters ()
	Override to declare function parameters. More...

void	declareAttribute (const std::string &name, const API::IFunction::Attribute &defaultValue)
	Declare a single attribute. More...

void	declareAttribute (const std::string &name, const API::IFunction::Attribute &defaultValue, const Kernel::IValidator &validator)
	Declare a single attribute with validator. More...

void	checkAttributeName (const std::string &name)
	Check Attribute to declare does not already exist. More...

void	storeAttributeValue (const std::string &name, const API::IFunction::Attribute &value)
	Store an attribute's value. More...

void	storeReadOnlyAttribute (const std::string &name, const API::IFunction::Attribute &value) const
	A read-only ("mutable") attribute can be stored in a const method. More...

virtual void	addTie (std::unique_ptr< ParameterTie > tie)
	Add a new tie. Derived classes must provide storage for ties. More...

bool	hasOrderedTies () const

void	applyOrderedTies ()

virtual std::string	writeToString (const std::string &parentLocalAttributesStr="") const
	Writes itself into a string. More...

Static Protected Attributes
static Kernel::Logger	g_log
	Logger instance. More...

Friends
class	CurveFitting::Algorithms::Fit
	Making a friend. More...

Additional Inherited Members
Public Types inherited from Mantid::API::IFunction
enum	ParameterStatus { Active , Fixed , FixedByDefault , Tied }
	Describe parameter status in relation to fitting: Active: Fit varies such parameter directly. More...

enum class	StepSizeMethod { DEFAULT , SQRT_EPSILON }
	Describes the method in which the step size will be calculated: DEFAULT: Uses the traditional Mantid method of calculating the step size. More...

Protected Attributes inherited from Mantid::API::IFunction
bool	m_isParallel
	Flag to hint that the function is being used in parallel computations. More...

std::unique_ptr< FunctionHandler >	m_handler
	Pointer to a function handler. More...

std::shared_ptr< Kernel::ProgressBase >	m_progReporter
	Pointer to the progress handler. More...

Detailed Description

This is a specialization of IFunction for functions of one real argument.

It uses FunctionDomain1D as a domain. Implement function1D(...) method in a concrete function. Implement functionDeriv1D to use analytical derivatives.

Author: Roman Tolchenov, Tessella Support Services plc

Date: 16/10/2009

Definition at line 43 of file IFunction1D.h.

Member Typedef Documentation

◆ Function1DMethod

template<typename FunctionType >

using Mantid::API::IFunction1D::Function1DMethod = void (FunctionType::*)(double *, const double *, const size_t) const

protected

Definition at line 63 of file IFunction1D.h.

Member Function Documentation

◆ calcNumericalDerivative1D()

template<typename EvaluationMethod >

void Mantid::API::IFunction1D::calcNumericalDerivative1D	(	Jacobian *	jacobian,
		EvaluationMethod	func1D,
		const double *	xValues,
		const size_t	nData
	)

protected

Calculate a numerical derivative for the 1D data.

Referenced by functionDeriv1D(), and Mantid::API::IPeakFunction::functionDerivLocal().

◆ derivative()

void Mantid::API::IFunction1D::derivative	(	const FunctionDomain &	domain,
		FunctionValues &	values,
		const size_t	order = `1`
	)		const

virtual

Definition at line 65 of file IFunction1D.cpp.

References derivative1D(), and Mantid::API::FunctionValues::getPointerToCalculated().

Referenced by Mantid::CurveFitting::Functions::ChudleyElliotSQE::functionDeriv1D(), Mantid::CurveFitting::Functions::FickDiffusionSQE::functionDeriv1D(), Mantid::CurveFitting::Functions::HallRossSQE::functionDeriv1D(), and Mantid::CurveFitting::Functions::TeixeiraWaterSQE::functionDeriv1D().

◆ derivative1D()

void Mantid::API::IFunction1D::derivative1D	(	double *	out,
		const double *	xValues,
		const size_t	nData,
		const size_t	order
	)		const

virtual

Function to calculate the derivatives of the data set.

Reimplemented in Mantid::CurveFitting::Functions::BSpline, and Mantid::CurveFitting::Functions::CubicSpline.

Definition at line 74 of file IFunction1D.cpp.

References UNUSED_ARG.

Referenced by derivative().

◆ function()

void Mantid::API::IFunction1D::function	(	const FunctionDomain &	domain,
		FunctionValues &	values
	)		const

overridevirtual

Evaluates the function for all arguments in the domain.

Parameters

domain	:: Provides arguments for the function.
values	:: A buffer to store the function values. It must be large enogh to store domain.size() values.

Implements Mantid::API::IFunction.

Reimplemented in Mantid::API::IPeakFunction, Mantid::API::IPowderDiffPeakFunction, Mantid::CurveFitting::Functions::NeutronBk2BkExpConvPVoigt, and Mantid::CurveFitting::Functions::ThermalNeutronBk2BkExpConvPVoigt.

Definition at line 38 of file IFunction1D.cpp.

References Mantid::API::FunctionValues::getPointerToCalculated(), and histogram1D().

Referenced by Mantid::API::IPeakFunction::function().

◆ function1D()

virtual void Mantid::API::IFunction1D::function1D	(	double *	out,
		const double *	xValues,
		const size_t	nData
	)		const

pure virtual

Function you want to fit to.

Referenced by functionDeriv1D().

◆ functionDeriv()

void Mantid::API::IFunction1D::functionDeriv	(	const FunctionDomain &	domain,
		Jacobian &	jacobian
	)

overridevirtual

Derivatives of function with respect to active parameters.

Base class implementation calculates the derivatives numerically.

Parameters

domain	:: The domain of the function
jacobian	:: A Jacobian matrix. It is expected to have dimensions of domain.size() by nParams().

Reimplemented from Mantid::API::IFunction.

Definition at line 52 of file IFunction1D.cpp.

References functionDeriv1D(), and histogramDerivative1D().

◆ functionDeriv1D()

void Mantid::API::IFunction1D::functionDeriv1D	(	Jacobian *	jacobian,
		const double *	xValues,
		const size_t	nData
	)

virtual

Derivatives of function with respect to active parameters.

Definition at line 82 of file IFunction1D.cpp.

References calcNumericalDerivative1D(), and function1D().

Referenced by functionDeriv(), and Mantid::PythonInterface::IFunction1DAdapter::functionDeriv1D().

◆ histogram1D()

void Mantid::API::IFunction1D::histogram1D	(	double *	out,
		double	left,
		const double *	right,
		const size_t	nBins
	)		const

protectedvirtual

Calculate histogram data for the given bin boundaries.

Parameters

out	:: Output bin values (size == nBins) - integrals of the function inside each bin.
left	:: The left-most bin boundary.
right	:: A pointer to an array of successive right bin boundaries (size = nBins).
nBins	:: Number of bins.

Reimplemented in Mantid::CurveFitting::Functions::FlatBackground, Mantid::CurveFitting::Functions::Gaussian, Mantid::CurveFitting::Functions::LinearBackground, and Mantid::CurveFitting::Functions::Lorentzian.

Definition at line 96 of file IFunction1D.cpp.

References left, right, and UNUSED_ARG.

Referenced by function().

◆ histogramDerivative1D()

void Mantid::API::IFunction1D::histogramDerivative1D	(	Jacobian *	jacobian,
		double	left,
		const double *	right,
		const size_t	nBins
	)		const

protectedvirtual

Derivatives of the histogram1D with respect to active parameters.

Derivatives of the histogram.

Parameters

jacobian	:: The output Jacobian.
left	:: The left-most bin boundary.
right	:: A pointer to an array of successive right bin boundaries (size = nBins).
nBins	:: Number of bins.

Reimplemented in Mantid::CurveFitting::Functions::FlatBackground, Mantid::CurveFitting::Functions::Gaussian, Mantid::CurveFitting::Functions::LinearBackground, and Mantid::CurveFitting::Functions::Lorentzian.

Definition at line 110 of file IFunction1D.cpp.

References left, right, and UNUSED_ARG.

Referenced by functionDeriv().

Friends And Related Function Documentation

◆ CurveFitting::Algorithms::Fit

friend class CurveFitting::Algorithms::Fit

friend

Making a friend.

Definition at line 77 of file IFunction1D.h.

Member Data Documentation

◆ g_log

Kernel::Logger Mantid::API::IFunction1D::g_log

staticprotected

Logger instance.

init logger

Definition at line 74 of file IFunction1D.h.

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

Framework/API/inc/MantidAPI/IFunction1D.h
Framework/API/src/IFunction1D.cpp

Public Member Functions

Protected Types

Protected Member Functions

Static Protected Attributes

Friends

Additional Inherited Members

Detailed Description

Member Typedef Documentation

◆ Function1DMethod

Member Function Documentation

◆ calcNumericalDerivative1D()

◆ derivative()

◆ derivative1D()

◆ function()

◆ function1D()

◆ functionDeriv()

◆ functionDeriv1D()

◆ histogram1D()

◆ histogramDerivative1D()

Friends And Related Function Documentation

◆ CurveFitting::Algorithms::Fit

Member Data Documentation

◆ g_log