A user defined function. More...

#include <UserFunctionMD.h>

Inheritance diagram for Mantid::MDAlgorithms::UserFunctionMD:

Public Member Functions
Attribute	getAttribute (const std::string &attName) const override
	Return Formula. More...

std::vector< std::string >	getAttributeNames () const override

bool	hasAttribute (const std::string &attName) const override
	Has attribute "Formula". More...

void	initDimensions () override
	Defining function's parameters here, ie after the workspace is set and the dimensions are known. More...

std::string	name () const override
	Returns the function's name. More...

void	setAttribute (const std::string &attName, const Attribute &attr) override
	Set Formula. More...

	UserFunctionMD ()
	Default constructor. More...

Public Member Functions inherited from Mantid::API::IFunctionMD
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...

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...

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::string	attributeName (size_t index) const
	Get name of ith attribute. 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	setStepSizeMethod (const StepSizeMethod method)
	Sets the StepSizeMethod to use when calculation the step size. More...

Public Member Functions inherited from Mantid::API::ParamFunction
IFunction_sptr	getContainingFunction (const ParameterReference &ref) const
	Get the containing function. More...

IFunction_sptr	getContainingFunction (IFunction_sptr fun)
	Get the containing function. More...

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

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

double	getParameter (const std::string &name) const override
	Get parameter by name. More...

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

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

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

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

size_t	nParams () const override
	Total number of parameters. More...

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

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

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

	ParamFunction ()
	Default constructor. More...

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

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

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

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

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

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

Protected Member Functions
double	functionMD (const API::IMDIterator &r) const override
	Calculate the function value at a point r in the MD workspace. More...

void	setFormula ()
	Initializes the mu::Parser. More...

Protected Member Functions inherited from Mantid::API::IFunctionMD
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...

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 Member Functions inherited from Mantid::API::ParamFunction
void	clearAllParameters ()
	Nonvirtual member which removes all declared parameters. More...

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

virtual double *	getParameterAddress (size_t i)
	Get the address of the parameter. For use in UserFunction with mu::Parser. More...

ParameterStatus	getParameterStatus (size_t i) const override
	Get status of parameter. More...

void	setParameterStatus (size_t i, ParameterStatus status) override
	Change status of parameter. More...

Static Protected Member Functions
static double *	AddVariable (const char varName, void pufun)
	Static callback function used by MuParser to initialize variables implicitly. More...

Private Attributes
std::string	m_formula

mu::Parser	m_parser
	Expression parser. More...

std::vector< std::string >	m_varNames

std::vector< double >	m_vars

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::IFunctionMD
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...

Detailed Description

A user defined function.

Author: Roman Tolchenov, Tessella plc

Date: 15/01/2010

Definition at line 26 of file UserFunctionMD.h.

Constructor & Destructor Documentation

◆ UserFunctionMD()

Mantid::MDAlgorithms::UserFunctionMD::UserFunctionMD ( )

Default constructor.

Definition at line 22 of file UserFunctionMD.cpp.

Member Function Documentation

◆ AddVariable()

double * Mantid::MDAlgorithms::UserFunctionMD::AddVariable	(	const char *	varName,
		void *	pufun
	)

staticprotected

Static callback function used by MuParser to initialize variables implicitly.

Parameters

varName	:: The name of a new variable
pufun	:: Pointer to the function

Definition at line 104 of file UserFunctionMD.cpp.

References Mantid::API::ParamFunction::declareParameter(), m_varNames, m_vars, and Mantid::Geometry::x.

Referenced by setFormula().

◆ functionMD()

double Mantid::MDAlgorithms::UserFunctionMD::functionMD ( const API::IMDIterator & r ) const

overrideprotectedvirtual

Calculate the function value at a point r in the MD workspace.

Evaluate the function at MD iterator r.

Parameters

r	:: MD workspace iterator with a reference to the current point
r	:: MD iterator.

Implements Mantid::API::IFunctionMD.

Definition at line 77 of file UserFunctionMD.cpp.

References Mantid::API::IFunctionMD::function(), Mantid::API::IMDIterator::getCenter(), Mantid::API::IFunctionMD::m_dimensions, m_parser, m_vars, n, and PARALLEL_CRITICAL.

◆ getAttribute()

UserFunctionMD::Attribute Mantid::MDAlgorithms::UserFunctionMD::getAttribute ( const std::string & attName ) const

overridevirtual

Return Formula.

Reimplemented from Mantid::API::IFunction.

Definition at line 40 of file UserFunctionMD.cpp.

References m_formula, and UNUSED_ARG.

◆ getAttributeNames()

std::vector< std::string > Mantid::MDAlgorithms::UserFunctionMD::getAttributeNames ( ) const

overridevirtual

Returns: A list of attribute names

Reimplemented from Mantid::API::IFunction.

Definition at line 34 of file UserFunctionMD.cpp.

◆ hasAttribute()

bool Mantid::MDAlgorithms::UserFunctionMD::hasAttribute ( const std::string & attName ) const

overridevirtual

Has attribute "Formula".

Reimplemented from Mantid::API::IFunction.

Definition at line 37 of file UserFunctionMD.cpp.

◆ initDimensions()

void Mantid::MDAlgorithms::UserFunctionMD::initDimensions ( )

overridevirtual

Defining function's parameters here, ie after the workspace is set and the dimensions are known.

Reimplemented from Mantid::API::IFunctionMD.

Definition at line 60 of file UserFunctionMD.cpp.

References Mantid::API::IFunctionMD::m_dimensionIndexMap, m_parser, m_varNames, m_vars, setFormula(), and std::to_string().

◆ name()

std::string Mantid::MDAlgorithms::UserFunctionMD::name ( ) const

inlineoverridevirtual

Returns the function's name.

Implements Mantid::API::IFunction.

Definition at line 29 of file UserFunctionMD.h.

◆ setAttribute()

void Mantid::MDAlgorithms::UserFunctionMD::setAttribute	(	const std::string &	attName,
		const Attribute &	attr
	)

overridevirtual

Set Formula.

Parameters

attName	:: Attribute name - must be "Formula"
attr	:: Attribute value - the formula

Reimplemented from Mantid::API::IFunction.

Definition at line 49 of file UserFunctionMD.cpp.

References Mantid::API::IFunction::Attribute::asString(), m_formula, m_vars, setFormula(), and UNUSED_ARG.

◆ setFormula()

void Mantid::MDAlgorithms::UserFunctionMD::setFormula ( )

protected

Initializes the mu::Parser.

Definition at line 127 of file UserFunctionMD.cpp.

References AddVariable(), Mantid::API::ParamFunction::getParameterAddress(), m_formula, m_parser, m_varNames, m_vars, Mantid::API::ParamFunction::nParams(), and Mantid::API::ParamFunction::parameterName().

Referenced by initDimensions(), and setAttribute().

Member Data Documentation

◆ m_formula

std::string Mantid::MDAlgorithms::UserFunctionMD::m_formula

private

Definition at line 65 of file UserFunctionMD.h.

Referenced by getAttribute(), setAttribute(), and setFormula().

◆ m_parser

mu::Parser Mantid::MDAlgorithms::UserFunctionMD::m_parser

private

Expression parser.

Definition at line 61 of file UserFunctionMD.h.

Referenced by functionMD(), initDimensions(), and setFormula().

◆ m_varNames

std::vector<std::string> Mantid::MDAlgorithms::UserFunctionMD::m_varNames

private

Definition at line 64 of file UserFunctionMD.h.

Referenced by AddVariable(), initDimensions(), and setFormula().

◆ m_vars

std::vector<double> Mantid::MDAlgorithms::UserFunctionMD::m_vars

mutableprivate

Definition at line 63 of file UserFunctionMD.h.

Referenced by AddVariable(), functionMD(), initDimensions(), setAttribute(), and setFormula().

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

Framework/MDAlgorithms/inc/MantidMDAlgorithms/UserFunctionMD.h
Framework/MDAlgorithms/src/UserFunctionMD.cpp

Public Member Functions

Protected Member Functions

Static Protected Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ UserFunctionMD()

Member Function Documentation

◆ AddVariable()

◆ functionMD()

◆ getAttribute()

◆ getAttributeNames()

◆ hasAttribute()

◆ initDimensions()

◆ name()

◆ setAttribute()

◆ setFormula()

Member Data Documentation

◆ m_formula

◆ m_parser

◆ m_varNames

◆ m_vars