This is a specialization of IFunction for functions defined on an IMDWorkspace. More...

#include <IFunctionMD.h>

Inheritance diagram for Mantid::API::IFunctionMD:

Public Member Functions
std::shared_ptr< IFunction >	clone () const override
	Virtual copy constructor. More...

void	function (const FunctionDomain &domain, FunctionValues &values) const override

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

void	setWorkspace (std::shared_ptr< const Workspace > ws) override
	Set the workspace. 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 Member Functions
void	evaluateFunction (const FunctionDomainMD &domain, FunctionValues &values) const
	Performs the function evaluations on the MD domain. More...

virtual double	functionMD (const IMDIterator &r) const =0
	Does the function evaluation. Must be implemented in derived classes. More...

virtual void	initDimensions ()
	Do finction initialization after useAllDimensions() was called. More...

virtual void	useDimension (const std::string &id)
	User functions call this method in their constructors to set up the order of the dimensions. 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...

Protected Attributes
std::map< std::string, size_t >	m_dimensionIndexMap
	maps dimension id to its index in m_dimensions More...

std::vector< std::shared_ptr< const Mantid::Geometry::IMDDimension > >	m_dimensions
	dimensions used in this function in the expected order 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...

Private Member Functions
virtual void	useAllDimensions (std::shared_ptr< const IMDWorkspace > workspace)
	Use all the dimensions in the workspace. 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...

Detailed Description

This is a specialization of IFunction for functions defined on an IMDWorkspace.

It uses FunctionDomainMD as a domain. Implement functionMD(...) method in a concrete function.

Author: Roman Tolchenov, Tessella Support Services plc

Date: 12/01/2011

Definition at line 50 of file IFunctionMD.h.

Member Function Documentation

◆ clone()

std::shared_ptr< IFunction > Mantid::API::IFunctionMD::clone ( ) const

overridevirtual

Virtual copy constructor.

Reimplemented from Mantid::API::IFunction.

Definition at line 32 of file IFunctionMD.cpp.

References Mantid::API::IFunction::clone().

◆ evaluateFunction()

void Mantid::API::IFunctionMD::evaluateFunction	(	const FunctionDomainMD &	domain,
		FunctionValues &	values
	)		const

protected

Performs the function evaluations on the MD domain.

Performs the function evaluations on the domain.

Parameters

domain	:: The MD domain to evaluate the function
values	:: The computed values

Definition at line 85 of file IFunctionMD.cpp.

References functionMD(), Mantid::API::FunctionDomainMD::getNextIterator(), Mantid::API::IFunction::reportProgress(), Mantid::API::FunctionDomainMD::reset(), Mantid::API::FunctionValues::setCalculated(), and std::to_string().

Referenced by function().

◆ function()

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

overridevirtual

Parameters

domain	:: The input domain over which to calculate the function
values	:: A result holder to store the output of the calculation

Implements Mantid::API::IFunction.

Definition at line 71 of file IFunctionMD.cpp.

References evaluateFunction().

Referenced by Mantid::MDAlgorithms::UserFunctionMD::functionMD().

◆ functionDeriv()

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

inlineoverridevirtual

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 61 of file IFunctionMD.h.

◆ functionMD()

virtual double Mantid::API::IFunctionMD::functionMD ( const IMDIterator & r ) const

protectedpure virtual

Does the function evaluation. Must be implemented in derived classes.

Implemented in Mantid::MDAlgorithms::UserFunctionMD.

Referenced by evaluateFunction().

◆ initDimensions()

virtual void Mantid::API::IFunctionMD::initDimensions ( )

inlineprotectedvirtual

Do finction initialization after useAllDimensions() was called.

Reimplemented in Mantid::MDAlgorithms::UserFunctionMD.

Definition at line 69 of file IFunctionMD.h.

Referenced by useAllDimensions().

◆ setWorkspace()

void Mantid::API::IFunctionMD::setWorkspace ( std::shared_ptr< const Workspace > ws )

overridevirtual

Set the workspace.

Parameters

ws	:: Shared pointer to a workspace
ws	:: A shared pointer to a workspace.

Reimplemented from Mantid::API::IFunction.

Definition at line 40 of file IFunctionMD.cpp.

References m_dimensionIndexMap, m_dimensions, useAllDimensions(), and workspace.

◆ useAllDimensions()

void Mantid::API::IFunctionMD::useAllDimensions ( std::shared_ptr< const IMDWorkspace > workspace )

privatevirtual

Use all the dimensions in the workspace.

This method is called if a function does not call to useDimension at all.

It adds all the dimensions in the workspace in the order they are in in that workspace then calls init().

Definition at line 116 of file IFunctionMD.cpp.

References initDimensions(), useDimension(), and workspace.

Referenced by setWorkspace().

◆ useDimension()

void Mantid::API::IFunctionMD::useDimension ( const std::string & id )

protectedvirtual

User functions call this method in their constructors to set up the order of the dimensions.

The dimensions will be sorted in the order of calls to useDimension. Ordering is needed to access dimensions by ineteger index rather than by name (string)

Parameters

id	:: The id of a dimension in the workspace

Definition at line 102 of file IFunctionMD.cpp.

References m_dimensionIndexMap, and n.

Referenced by useAllDimensions().

Member Data Documentation

◆ m_dimensionIndexMap

std::map<std::string, size_t> Mantid::API::IFunctionMD::m_dimensionIndexMap

protected

maps dimension id to its index in m_dimensions

Definition at line 74 of file IFunctionMD.h.

Referenced by Mantid::MDAlgorithms::UserFunctionMD::initDimensions(), setWorkspace(), and useDimension().

◆ m_dimensions

std::vector<std::shared_ptr<const Mantid::Geometry::IMDDimension> > Mantid::API::IFunctionMD::m_dimensions

protected

dimensions used in this function in the expected order

Definition at line 76 of file IFunctionMD.h.

Referenced by Mantid::MDAlgorithms::UserFunctionMD::functionMD(), and setWorkspace().

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

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

Public Member Functions

Protected Member Functions

Protected Attributes

Private Member Functions

Additional Inherited Members

Detailed Description

Member Function Documentation

◆ clone()

◆ evaluateFunction()

◆ function()

◆ functionDeriv()

◆ functionMD()

◆ initDimensions()

◆ setWorkspace()

◆ useAllDimensions()

◆ useDimension()

Member Data Documentation

◆ m_dimensionIndexMap

◆ m_dimensions