This is an interface to a fitting function - a semi-abstarct class. More...

#include <IFunction.h>

Inheritance diagram for Mantid::API::IFunction:

Classes
class	Attribute
	Attribute is a non-fitting parameter. More...

class	AttributeValidatorVisitor
	Atribute validator visitor class. More...

class	AttributeVisitor
	Atribute visitor class. More...

class	ConstAttributeVisitor
	Const version of AttributeVisitor. More...

struct	ValidationException
	Simple Exception Struct to differentiate validation error from other exceptions. More...

struct	ValidatorEvaluator
	Simple struct to constain function to evaluate attribute validators that is required in both attributes and visitors. More...

Public Member Functions
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...

Function parameters
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...

Active parameters
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...

Ties
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...

Constraints
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...

Attributes
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...

class	ParameterTie

class	CompositeFunction

class	FunctionParameterDecorator

class	FunctionGenerator

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...

std::map< std::string, API::IFunction::Attribute >	m_attrs
	The declared attributes. More...

std::shared_ptr< Kernel::Matrix< double > >	m_covar
	The covariance matrix of the fitting parameters. More...

double	m_chiSquared
	The chi-squared of the last fit. More...

std::vector< std::unique_ptr< ParameterTie > >	m_ties
	Holds parameter ties. More...

std::vector< std::unique_ptr< IConstraint > >	m_constraints
	Holds the constraints added to function. More...

std::vector< ParameterTie * >	m_orderedTies
	Ties ordered in order of correct application. More...

bool	m_isRegistered {false}
	whether the function usage has been registered More...

std::function< double(const double)>	m_stepSizeFunction
	The function used to calculate the step size. 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...

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...

Detailed Description

This is an interface to a fitting function - a semi-abstarct class.

Functions derived from IFunction can be used with the Fit algorithm. IFunction defines the structure of a fitting funtion.

A function has a number of named parameters (not arguments), type double, on which it depends. Parameters must be declared either in the constructor or in the init() method of a derived class with method declareParameter(...). Method nParams() returns the number of parameters. A parameter can be accessed either by its name or the index. For example in case of Gaussian the parameters can be "Height", "PeakCentre" and "Sigma".

The main method of IFunction is called function(const FunctionDomain&,FunctionValues&). It takes a set of function arguments via interface FunctionDomain, calculates the values, and returns them via the FunctionValues. The derived classes must implement this method.

Implement functionDeriv method for the function to be used with fitting algorithms using derivatives. functionDeriv calculates patrial derivatives of the function with respect to the fitting parameters. The default implementation uses numeric differentiation.

To fit a function to a set of data its parameters must be adjusted so that the difference between the data and the corresponding function values were minimized. This is the aim of the Fit algorithm. But Fit does not work with the declared parameters directly. Instead it uses other - active - parameters. In simple case the active parameters are the same as the declared ones. But they can be overidden if the declared parameters make fit unstable. There are as many active parameters as there are the declared ones. A one-to-one transformation must exist between the active and the declared parameters. Overide activeParameter and setActiveParameter methods to implement this transformation. An example is Gaussian where "Sigma" makes the fit unstable. So in the fit it is replaced with variable Weight = 1 / Sigma which is more efficient.

The active parameters can be accessed by their index. The implementations of the access method for both active and declared parameters must ensure that any changes to one of them immediately reflected on the other so that the two sets are consistent at any moment.

IFunction declares method nameOfActive(int i) which returns the name of the declared parameter corresponding to the i-th active parameter. I am not completely sure in the usefulness of it.

The declared parameters can be made fixed in a fit with method fix(). If a parameter is fixed a fit shouldn't change its value unless it is also tied to values of other parameters. Implementations of active parameters must ensure this behaviour.

When a declared parameter is made fixed one of the active parameters must become inactive. isActive(i) method must return false for it. In case of declared == active the fixed parameter becomes inactive. Classes overriding active parameters must ensure that number of inactive parameters == number of fixed declared ones at any moment.

IFunction provides methods for tying and untying parameters. Only the declared parameters can be tied. isFixed() method returns true for a tied parameter. The value of a tied parameter is defined by its tie and can change in a fit.

Method addConstraint adds constraints on possible values of a declared parameter. A constrained parameter is not fixed and can vary within its constraint. Constraints and ties are used only in fitting.

Any non-fitting parameters can be implemented as attributes (class IFunction::Attribute). An attribute can have one of three types: std::string, int, or double. The type is set at construction and cannot be changed later. To read or write the attributes there are two ways. If the type is known the type specific accessors can be used, e.g. asString(), asInt(). Otherwise the IFunction::AttributeVisitor can be used. It provides alternative virtual methods to access attributes of each type. When creating a function from a string (using FunctionFactory::creaeInitialized(...)) the attributes must be set first, before any fitting parameter, as the number and names of the parameters can depend on the attributes.

Author: Roman Tolchenov, Tessella Support Services plc

Date: 16/10/2009; 22/12/2010

Definition at line 163 of file IFunction.h.

Member Enumeration Documentation

◆ ParameterStatus

enum Mantid::API::IFunction::ParameterStatus

Describe parameter status in relation to fitting: Active: Fit varies such parameter directly.

Fixed: Value doesn't change during fit. FixedByDefault: Fixed by default, don't show in ties of the output string. Tied: Value depends on values of other parameters.

Enumerator
Active
Fixed
FixedByDefault
Tied

Definition at line 649 of file IFunction.h.

◆ StepSizeMethod

enum class Mantid::API::IFunction::StepSizeMethod

strong

Describes the method in which the step size will be calculated: DEFAULT: Uses the traditional Mantid method of calculating the step size.

SQRT_EPSILON: Uses the square root of epsilon to calculate the step size.

Enumerator
DEFAULT
SQRT_EPSILON

Definition at line 658 of file IFunction.h.

Constructor & Destructor Documentation

◆ IFunction() [1/2]

Mantid::API::IFunction::IFunction ( )

Constructor.

Definition at line 86 of file IFunction.cpp.

◆ ~IFunction()

Mantid::API::IFunction::~IFunction ( )

virtual

Virtual destructor.

Destructor.

Definition at line 92 of file IFunction.cpp.

References m_attrs.

◆ IFunction() [2/2]

Mantid::API::IFunction::IFunction ( const IFunction & )

delete

No copying.

Member Function Documentation

◆ activeParameter()

double Mantid::API::IFunction::activeParameter ( size_t i ) const

virtual

Value of i-th active parameter.

Override this method to make fitted parameters different from the declared

Reimplemented in Mantid::API::CompositeFunction, Mantid::API::FunctionParameterDecorator, Mantid::CurveFitting::Functions::AsymmetricPearsonVII, Mantid::CurveFitting::Functions::Gaussian, Mantid::CurveFitting::Functions::Keren, and Mantid::PythonInterface::IFunctionAdapter.

Definition at line 988 of file IFunction.cpp.

References getParameter(), isActive(), and parameterName().

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

◆ addConstraint()

void Mantid::API::IFunction::addConstraint ( std::unique_ptr< IConstraint > ic )

virtual

Add a constraint to function.

Add a constraint.

Parameters

ic	:: Pointer to a constraint.

Reimplemented in Mantid::API::FunctionParameterDecorator.

Definition at line 376 of file IFunction.cpp.

References m_constraints.

◆ addConstraints()

void Mantid::API::IFunction::addConstraints	(	const std::string &	str,
		bool	isDefault = `false`
	)

virtual

Add a list of conatraints from a string.

Add a list of constraints from a string.

Parameters

str	:: A comma-separated list of constraint expressions.
isDefault	:: Flag to mark as default the value of an object associated with this reference.

Definition at line 521 of file IFunction.cpp.

References addConstraint(), Mantid::API::Expression::begin(), Mantid::API::Expression::end(), Mantid::Kernel::SingletonHolder< T >::Instance(), Mantid::API::Expression::parse(), and Mantid::API::Expression::toList().

Referenced by Mantid::API::ImmutableCompositeFunction::addDefaultConstraints(), and export_IFunction().

◆ addTie()

void Mantid::API::IFunction::addTie ( std::unique_ptr< ParameterTie > tie )

protectedvirtual

Add a new tie. Derived classes must provide storage for ties.

Attaches a tie to this ParamFunction.

The attached tie is owned by the ParamFunction.

Parameters

tie	:: A pointer to a new tie

Reimplemented in Mantid::API::FunctionParameterDecorator.

Definition at line 282 of file IFunction.cpp.

References getParameterIndex(), m_ties, setParameterStatus(), tie(), and Tied.

Referenced by tie().

◆ addTies()

void Mantid::API::IFunction::addTies	(	const std::string &	ties,
		bool	isDefault = `false`
	)

virtual

Add several ties.

Add ties to the function.

Parameters

ties	:: Comma-separated list of name=value pairs where name is a parameter name and value is a math expression tying the parameter to other parameters or a constant.
isDefault	:: Flag to mark as default the value of an object associated with this reference: a tie or a constraint.

Definition at line 233 of file IFunction.cpp.

References applyTies(), n, name(), Mantid::API::Expression::parse(), tie(), Mantid::API::Expression::toList(), and value.

Referenced by Mantid::API::ImmutableCompositeFunction::addDefaultTies(), and export_IFunction().

◆ applyOrderedTies()

void Mantid::API::IFunction::applyOrderedTies ( )

protected

Definition at line 297 of file IFunction.cpp.

References m_orderedTies, and tie().

Referenced by applyTies(), and Mantid::API::CompositeFunction::applyTies().

◆ applyTies()

void Mantid::API::IFunction::applyTies ( )

virtual

Apply the ties.

Reimplemented in Mantid::API::CompositeFunction, and Mantid::API::FunctionParameterDecorator.

Definition at line 306 of file IFunction.cpp.

References applyOrderedTies(), hasOrderedTies(), m_ties, and tie().

Referenced by addTies(), Mantid::API::CompositeFunction::applyTies(), calNumericalDeriv(), Mantid::CurveFitting::Functions::ChudleyElliotSQE::functionDeriv1D(), Mantid::CurveFitting::Functions::FickDiffusionSQE::functionDeriv1D(), Mantid::CurveFitting::Functions::HallRossSQE::functionDeriv1D(), and Mantid::CurveFitting::Functions::TeixeiraWaterSQE::functionDeriv1D().

◆ asString()

std::string Mantid::API::IFunction::asString ( ) const

Writes itself into a string.

Writes a string that can be used in FunctionFunctory to create a copy of this IFunction.

Returns: string representation of the function

Definition at line 462 of file IFunction.cpp.

References writeToString().

Referenced by clone(), createEquivalentFunctions(), Mantid::API::CompositeFunction::createEquivalentFunctions(), Mantid::API::MultiDomainFunction::createEquivalentFunctions(), export_IFunction(), and Mantid::API::operator<<().

◆ attributeName()

std::string Mantid::API::IFunction::attributeName ( size_t index ) const

virtual

Get name of ith attribute.

Return the name of the ith attribute by querying the stored attributes in m_attrs.

Parameters

index :: Index of the attribute to return

Reimplemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, and Mantid::CurveFitting::Functions::Resolution.

Definition at line 1382 of file IFunction.cpp.

References index, m_attrs, and nAttributes().

Referenced by Mantid::API::CompositeFunction::attributeName(), Mantid::API::FunctionGenerator::attributeName(), Mantid::CurveFitting::Functions::Resolution::attributeName(), Mantid::CurveFitting::Functions::CrystalFieldFunction::buildAttributeNames(), and getAttributeNames().

◆ calculateStepSize()

double Mantid::API::IFunction::calculateStepSize ( const double parameterValue ) const

Calculate step size for the given parameter value.

Calculates the step size to use when calculating the numerical derivative.

Parameters

parameterValue :: The value of the active parameter.

Returns: The step size to use when calculating the numerical derivative.

Definition at line 1077 of file IFunction.cpp.

References m_stepSizeFunction.

Referenced by calNumericalDeriv().

◆ calNumericalDeriv()

void Mantid::API::IFunction::calNumericalDeriv	(	const FunctionDomain &	domain,
		Jacobian &	jacobian
	)

Calculate numerical derivatives.

Parameters

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

Definition at line 1031 of file IFunction.cpp.

References activeParameter(), applyTies(), calculateStepSize(), function(), Mantid::API::FunctionValues::getCalculated(), getValuesSize(), isActive(), nParams(), Mantid::API::Jacobian::set(), setActiveParameter(), and Mantid::API::FunctionValues::size().

◆ cancellationRequestReceived()

bool Mantid::API::IFunction::cancellationRequestReceived ( ) const

Returns true if a progress reporter is set & evalaution has been requested to stop.

Returns: true if a progress reporter is set & evalaution has been requested to stop

Definition at line 143 of file IFunction.cpp.

References m_progReporter.

◆ categories()

const std::vector< std::string > Mantid::API::IFunction::categories ( ) const

virtual

Function to return all of the categories that contain this algorithm.

Function to return all of the categories that contain this function.

Definition at line 572 of file IFunction.cpp.

References Mantid::Kernel::StringTokenizer::asVector(), category(), categorySeparator(), Mantid::Kernel::StringTokenizer::TOK_IGNORE_EMPTY, and Mantid::Kernel::StringTokenizer::TOK_TRIM.

◆ category()

virtual const std::string Mantid::API::IFunction::category ( ) const

inlinevirtual

The categories the Fit function belong to.

Categories must be listed as a semi colon separated list. For example: "General, Muon\\Custom" which adds a function to the category "General" and the sub-category "Muon\\Custom"

Definition at line 440 of file IFunction.h.

Referenced by categories(), and Mantid::PythonInterface::IFunctionAdapter::category().

◆ categorySeparator()

virtual const std::string Mantid::API::IFunction::categorySeparator ( ) const

inlinevirtual

Function to return the sperator token for the category string.

A default implementation ';' is provided

Definition at line 445 of file IFunction.h.

Referenced by categories().

◆ checkAttributeName()

void Mantid::API::IFunction::checkAttributeName ( const std::string & name )

protected

Check Attribute to declare does not already exist.

Checks Attribute of "name" does not exist.

Parameters

name	:: The name of the attribute

Definition at line 1445 of file IFunction.cpp.

References m_attrs, and name().

Referenced by declareAttribute().

◆ clearConstraints()

void Mantid::API::IFunction::clearConstraints ( )

virtual

Remove all constraints.

Definition at line 431 of file IFunction.cpp.

References m_constraints.

Referenced by Mantid::API::ParamFunction::clearAllParameters().

◆ clearTies()

void Mantid::API::IFunction::clearTies ( )

virtual

Remove all ties.

Reimplemented in Mantid::API::CompositeFunction, and Mantid::API::FunctionParameterDecorator.

Definition at line 366 of file IFunction.cpp.

References Active, m_ties, nParams(), and setParameterStatus().

Referenced by Mantid::API::ParamFunction::clearAllParameters(), and Mantid::API::CompositeFunction::clearTies().

◆ clone()

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

virtual

Virtual copy constructor.

Reimplemented in Mantid::API::FunctionParameterDecorator, and Mantid::API::IFunctionMD.

Definition at line 109 of file IFunction.cpp.

References asString(), error, getError(), Mantid::Kernel::SingletonHolder< T >::Instance(), and nParams().

Referenced by Mantid::API::IFunctionMD::clone(), export_IFunction(), and Mantid::API::PeakFunctionIntegrator::integrateError().

◆ convertValue() [1/2]

double Mantid::API::IFunction::convertValue	(	double	value,
		Kernel::Unit_sptr &	outUnit,
		const std::shared_ptr< const MatrixWorkspace > &	ws,
		size_t	wsIndex
	)		const

protected

Convert a value from one unit (inUnit) to unit defined in workspace (ws)

Convert a value from unit defined in workspace (ws) to outUnit.

Parameters

value	:: assumed to be in unit of workspace
outUnit	:: unit to convert to
ws	:: workspace
wsIndex	:: workspace index

Returns: converted value

Definition at line 1267 of file IFunction.cpp.

References convertValue(), and value.

Referenced by Mantid::CurveFitting::Functions::IkedaCarpenterPV::calWavelengthAtEachDataPoint(), convertValue(), setMatrixWorkspace(), and Mantid::CurveFitting::Functions::IkedaCarpenterPV::setMatrixWorkspace().

◆ convertValue() [2/2]

void Mantid::API::IFunction::convertValue	(	std::vector< double > &	values,
		Kernel::Unit_sptr &	outUnit,
		const std::shared_ptr< const MatrixWorkspace > &	ws,
		size_t	wsIndex
	)		const

protected

Convert values from unit defined in workspace (ws) to outUnit.

Parameters

values	:: As input: assumed to be in unit of workspace. As output: in unit of outUnit
outUnit	:: unit to convert to
ws	:: workspace
wsIndex	:: workspace index

Definition at line 1294 of file IFunction.cpp.

References Mantid::Kernel::Logger::error(), and Mantid::API::g_log.

◆ createEquivalentFunctions()

std::vector< IFunction_sptr > Mantid::API::IFunction::createEquivalentFunctions ( ) const

virtual

Split this function (if needed) into a list of independent functions.

The number of functions must be the number of domains this function is working on (== getNumberDomains()). The result of evaluation of the created functions on their domains must be the same as if this function was evaluated on the composition of those domains.

Reimplemented in Mantid::API::CompositeFunction, Mantid::API::MultiDomainFunction, Mantid::CurveFitting::Functions::CrystalFieldFunction, and Mantid::CurveFitting::Functions::CrystalFieldMultiSpectrum.

Definition at line 1579 of file IFunction.cpp.

References asString(), and Mantid::Kernel::SingletonHolder< T >::Instance().

Referenced by Mantid::PythonInterface::IFunctionAdapter::createPythonEquivalentFunctions().

◆ declareAttribute() [1/2]

void Mantid::API::IFunction::declareAttribute	(	const std::string &	name,
		const API::IFunction::Attribute &	defaultValue
	)

protected

Declare a single attribute.

Declares a single attribute.

Parameters

name	:: The name of the attribute
defaultValue	:: A default value

Definition at line 1418 of file IFunction.cpp.

References checkAttributeName(), m_attrs, and name().

◆ declareAttribute() [2/2]

void Mantid::API::IFunction::declareAttribute	(	const std::string &	name,
		const API::IFunction::Attribute &	defaultValue,
		const Kernel::IValidator &	validator
	)

protected

Declare a single attribute with validator.

Declares a single attribute with a validator.

Parameters

name	:: The name of the attribute
defaultValue	:: A default value
validator	:: validator to restrict allows input value of defaultValue param

Definition at line 1430 of file IFunction.cpp.

References checkAttributeName(), Mantid::Kernel::IValidator::clone(), Mantid::API::IFunction::Attribute::evaluateValidator(), m_attrs, name(), and Mantid::API::IFunction::Attribute::setValidator().

◆ declareAttributes()

virtual void Mantid::API::IFunction::declareAttributes ( )

inlineprotectedvirtual

Override to declare function attributes.

Reimplemented in Mantid::CurveFitting::Functions::ComptonPeakProfile, Mantid::CurveFitting::Functions::FunctionQDepends, Mantid::CurveFitting::Functions::GramCharlierComptonProfile, Mantid::CurveFitting::Functions::MultivariateGaussianComptonProfile, and Mantid::CurveFitting::Functions::VesuvioResolution.

Definition at line 676 of file IFunction.h.

Referenced by Mantid::CurveFitting::Functions::GramCharlierComptonProfile::declareAttributes(), Mantid::CurveFitting::Functions::MultivariateGaussianComptonProfile::declareAttributes(), and init().

◆ declareParameter()

virtual void Mantid::API::IFunction::declareParameter	(	const std::string &	name,
		double	initValue = `0`,
		const std::string &	description = `""`
	)

protectedpure virtual

Declare a new parameter.

Implemented in Mantid::API::FunctionParameterDecorator, Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::ParamFunction, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

Referenced by Mantid::CurveFitting::Functions::PawleyParameterFunction::createLatticeSystemParameters(), Mantid::PythonInterface::IFunctionAdapter::declareFitParameter(), and Mantid::CurveFitting::Functions::IkedaCarpenterPV::init().

◆ declareParameters()

virtual void Mantid::API::IFunction::declareParameters ( )

inlineprotectedvirtual

Override to declare function parameters.

Definition at line 678 of file IFunction.h.

Referenced by init().

◆ descriptionOfActive()

std::string Mantid::API::IFunction::descriptionOfActive ( size_t i ) const

virtual

Returns the name of active parameter i.

Returns the description of an active parameter.

Parameters

i	:: Index of a parameter. The parameter must be active.

Reimplemented in Mantid::API::CompositeFunction.

Definition at line 1019 of file IFunction.cpp.

References isActive(), parameterDescription(), and parameterName().

◆ estimateNoProgressCalls()

virtual int64_t Mantid::API::IFunction::estimateNoProgressCalls ( ) const

inlinevirtual

Returns an estimate of the number of progress reports a single evaluation of the function will have.

For backwards compatibility default=1

Definition at line 425 of file IFunction.h.

◆ fix()

void Mantid::API::IFunction::fix	(	size_t	i,
		bool	isDefault = `false`
	)

Removes a parameter i from the list of active.

This method doesn't create a tie.

Parameters

i	:: A declared parameter index to be fixed
isDefault	:: If true fix it by default

Definition at line 181 of file IFunction.cpp.

References Fixed, FixedByDefault, getParameterStatus(), parameterName(), setParameterStatus(), Tied, and std::to_string().

Referenced by export_IFunction(), fixAll(), fixAllActive(), fixParameter(), Mantid::CurveFitting::ParameterEstimator::setBackToBackExponential(), and tie().

◆ fixAll()

void Mantid::API::IFunction::fixAll ( bool isDefault = false )

Fix all parameters.

Parameters

isDefault :: If true fix them by default

Definition at line 1529 of file IFunction.cpp.

References fix(), isActive(), and nParams().

Referenced by export_IFunction(), Mantid::CurveFitting::Functions::CrystalFieldUtils::ignorePeak(), and Mantid::CurveFitting::Functions::CrystalFieldUtils::updatePeak().

◆ fixAllActive()

void Mantid::API::IFunction::fixAllActive ( bool isDefault = false )

Fix all active parameters.

This method doesn't change status of a fixed parameter, eg if one was fixed by default prior to calling this method it will remain default regardless the value of isDefault argument.

Parameters

isDefault :: If true fix them by default.

Definition at line 1560 of file IFunction.cpp.

References Active, fix(), getParameterStatus(), and nParams().

◆ fixParameter()

void Mantid::API::IFunction::fixParameter	(	const std::string &	name,
		bool	isDefault = `false`
	)

Fix a parameter.

Parameters

name	:: A name of a parameter to fix
isDefault	:: If true fix it by default

Definition at line 1515 of file IFunction.cpp.

References fix(), name(), and parameterIndex().

Referenced by export_IFunction(), Mantid::CurveFitting::Functions::Gaussian::fixCentre(), Mantid::CurveFitting::Functions::Lorentzian::fixCentre(), Mantid::CurveFitting::Functions::Lorentzian::fixIntensity(), and Mantid::CurveFitting::Functions::CrystalFieldUtils::setWidthConstraint().

◆ function()

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

pure virtual

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.

Referenced by Mantid::CurveFitting::Algorithms::CalculateChiSquared::calcChiSquared(), Mantid::CurveFitting::CostFunctions::CostFuncPoisson::calculateDerivative(), calNumericalDeriv(), Mantid::CurveFitting::Functions::ChebfunBase::fit(), and Mantid::CurveFitting::Functions::ChebfunBase::fitOdd().

◆ functionDeriv()

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

virtual

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().

Definition at line 155 of file IFunction.cpp.

References calNumericalDeriv().

Referenced by Mantid::CurveFitting::CostFunctions::CostFuncPoisson::calculateDerivative(), and Mantid::CurveFitting::CostFunctions::CostFuncPoisson::calculateHessian().

◆ getAttribute()

API::IFunction::Attribute Mantid::API::IFunction::getAttribute ( const std::string & name ) const

virtual

Return a value of attribute attName.

Parameters

name	:: Returns the named attribute

Reimplemented in Mantid::API::FunctionParameterDecorator, Mantid::Crystal::PeakHKLErrors, Mantid::CurveFitting::Functions::BivariateNormal, Mantid::CurveFitting::Functions::FullprofPolynomial, Mantid::CurveFitting::Functions::Polynomial, Mantid::CurveFitting::Functions::Resolution, Mantid::CurveFitting::Functions::TabulatedFunction, Mantid::CurveFitting::Functions::UserFunction, Mantid::MDAlgorithms::UserFunctionMD, Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

Definition at line 1394 of file IFunction.cpp.

References hasAttribute(), m_attrs, and name().

◆ getAttributeNames()

std::vector< std::string > Mantid::API::IFunction::getAttributeNames ( ) const

virtual

Returns a list of attribute names.

Definition at line 1368 of file IFunction.cpp.

References attributeName(), and nAttributes().

Referenced by Mantid::CurveFitting::Functions::CrystalFieldFunction::buildAttributeNames(), export_IFunction(), Mantid::API::FunctionGenerator::getAttributeNames(), Mantid::CurveFitting::Functions::TabulatedFunction::getAttributeNames(), MantidQt::MantidWidgets::FunctionModel::updateMultiDatasetAttributes(), writeToString(), and Mantid::CurveFitting::Functions::CrystalFieldSpectrum::writeToString().

◆ getConstraint()

IConstraint * Mantid::API::IFunction::getConstraint ( size_t i ) const

virtual

Get constraint of i-th parameter.

Get constraint of parameter number i.

Parameters

i	:: The index of a declared parameter.

Returns: A pointer to the constraint or NULL

Reimplemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

Definition at line 392 of file IFunction.cpp.

References m_constraints.

Referenced by Mantid::Crystal::PeakHKLErrors::function1D(), Mantid::CurveFitting::Functions::BivariateNormal::function1D(), Mantid::API::CompositeFunction::getConstraint(), Mantid::API::FunctionGenerator::getConstraint(), Mantid::CurveFitting::Functions::CrystalFieldFunction::getConstraint(), Mantid::CurveFitting::Functions::BivariateNormal::initCommon(), and Mantid::API::CompositeFunction::removeConstraint().

◆ getCovarianceMatrix()

std::shared_ptr< const Kernel::Matrix< double > > Mantid::API::IFunction::getCovarianceMatrix ( ) const

inline

Get the covariance matrix.

Definition at line 627 of file IFunction.h.

◆ getError() [1/2]

virtual double Mantid::API::IFunction::getError ( const std::string & name ) const

pure virtual

Get the fitting error for a parameter by name.

Implemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::API::ParamFunction, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

◆ getError() [2/2]

virtual double Mantid::API::IFunction::getError ( size_t i ) const

pure virtual

Get the fitting error for a parameter.

Implemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::API::ParamFunction, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

Referenced by clone(), MantidQt::MantidWidgets::IFunctionModel::copyParametersAndErrors(), export_IFunction(), and Mantid::CurveFitting::Functions::PawleyParameterFunction::getUnitCellFromParameters().

◆ getFunction()

IFunction_sptr Mantid::API::IFunction::getFunction ( size_t i ) const

virtual

Returns the pointer to i-th child function.

Returns the pointer to a child function.

Definition at line 1363 of file IFunction.cpp.

References name().

Referenced by Mantid::CurveFitting::Algorithms::EstimatePeakErrors::exec(), export_IFunction(), MantidQt::MantidWidgets::ConvolutionFunctionModel::iterateThroughFunction(), Mantid::API::ParameterReference::reset(), and MantidQt::MantidWidgets::ConvolutionFunctionModel::setPrefix().

◆ getHandler()

FunctionHandler * Mantid::API::IFunction::getHandler ( ) const

inline

Return the handler.

Definition at line 641 of file IFunction.h.

◆ getNumberDomains()

size_t Mantid::API::IFunction::getNumberDomains ( ) const

virtual

Get number of domains required by this function.

If it returns a number greater than 1 then the domain passed to function(domain, values) method must have a CompositeDomain type with the same number of parts.

Reimplemented in Mantid::API::CompositeFunction, Mantid::API::MultiDomainFunction, Mantid::CurveFitting::Functions::CrystalFieldFunction, and Mantid::CurveFitting::Functions::CrystalFieldMultiSpectrum.

Definition at line 1572 of file IFunction.cpp.

Referenced by export_IFunction().

◆ getParameter() [1/2]

virtual double Mantid::API::IFunction::getParameter ( const std::string & name ) const

pure virtual

Get parameter by name.

Implemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::API::ImmutableCompositeFunction, Mantid::API::ParamFunction, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

◆ getParameter() [2/2]

virtual double Mantid::API::IFunction::getParameter ( size_t i ) const

pure virtual

Get i-th parameter.

Implemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::API::ImmutableCompositeFunction, Mantid::API::ParamFunction, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

◆ getParameterIndex()

virtual size_t Mantid::API::IFunction::getParameterIndex ( const ParameterReference & ref ) const

pure virtual

Return parameter index from a parameter reference.

Usefull for constraints and ties in composite functions

Implemented in Mantid::CurveFitting::Functions::CrystalFieldFunction, Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, and Mantid::API::ParamFunction.

Referenced by addTie(), Mantid::API::ParameterTie::asString(), Mantid::API::ReferenceEqual::operator()(), Mantid::API::ParameterReference::parameterIndex(), Mantid::API::ParameterTie::set(), sortTies(), and tie().

◆ getParameterNames()

std::vector< std::string > Mantid::API::IFunction::getParameterNames ( ) const

Return a vector with all parameter names.

Definition at line 551 of file IFunction.cpp.

References nParams().

Referenced by Mantid::CurveFitting::Algorithms::FitPowderDiffPeaks::genPeak(), and Mantid::CurveFitting::Algorithms::FitPowderDiffPeaks::genPeaksFromTable().

◆ getParameterStatus()

virtual ParameterStatus Mantid::API::IFunction::getParameterStatus ( size_t i ) const

pure virtual

Get status of parameter.

Implemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::API::ParamFunction, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

Referenced by fix(), fixAllActive(), isActive(), isFixed(), isFixedByDefault(), unfix(), unfixAllDefault(), and writeToString().

◆ getReducedChiSquared()

double Mantid::API::IFunction::getReducedChiSquared ( ) const

inline

Get the reduced chi^2.

Definition at line 631 of file IFunction.h.

◆ getTie()

ParameterTie * Mantid::API::IFunction::getTie ( size_t i ) const

virtual

Get the tie of i-th parameter.

Get tie of parameter number i.

Parameters

i	:: The index of a declared parameter.

Returns: A pointer to the tie

Reimplemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

Definition at line 356 of file IFunction.cpp.

References m_ties.

Referenced by Mantid::API::CompositeFunction::getTie(), Mantid::API::FunctionGenerator::getTie(), Mantid::CurveFitting::Functions::CrystalFieldFunction::getTie(), Mantid::CurveFitting::Functions::BivariateNormal::initCommon(), and sortTies().

◆ getValuesSize()

size_t Mantid::API::IFunction::getValuesSize ( const FunctionDomain & domain ) const

virtual

Get number of values for a given domain.

Parameters

domain :: A domain.

Reimplemented in Mantid::API::IFunctionGeneral.

Definition at line 1510 of file IFunction.cpp.

References Mantid::API::FunctionDomain::size().

Referenced by calNumericalDeriv().

◆ hasAttribute()

bool Mantid::API::IFunction::hasAttribute ( const std::string & name ) const

virtual

Check if attribute attName exists.

Check if attribute named exists.

Reimplemented in Mantid::API::FunctionParameterDecorator, Mantid::Crystal::PeakHKLErrors, Mantid::CurveFitting::Functions::BivariateNormal, Mantid::CurveFitting::Functions::FullprofPolynomial, Mantid::CurveFitting::Functions::Polynomial, Mantid::CurveFitting::Functions::Resolution, Mantid::CurveFitting::Functions::UserFunction, Mantid::MDAlgorithms::UserFunctionMD, Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

Definition at line 1339 of file IFunction.cpp.

References m_attrs, and name().

Referenced by Mantid::PythonInterface::IFunctionAdapter::declareAttribute(), export_IFunction(), getAttribute(), Mantid::API::FunctionGenerator::getAttribute(), Mantid::CurveFitting::Functions::Resolution::hasAttribute(), Mantid::API::FunctionGenerator::hasAttribute(), Mantid::API::FunctionGenerator::setAttribute(), and storeAttributeValue().

◆ hasOrderedTies()

bool Mantid::API::IFunction::hasOrderedTies ( ) const

protected

Definition at line 295 of file IFunction.cpp.

References m_orderedTies.

Referenced by applyTies(), and Mantid::API::CompositeFunction::applyTies().

◆ hasParameter()

virtual bool Mantid::API::IFunction::hasParameter ( const std::string & name ) const

pure virtual

Check if function has a parameter with this name.

Implemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::API::ParamFunction, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

Referenced by export_IFunction().

◆ ignoreTie()

virtual bool Mantid::API::IFunction::ignoreTie ( const ParameterTie & ) const

inlinevirtual

Ignore a tie.

Reimplemented in Mantid::CurveFitting::Functions::CrystalFieldFunction.

Definition at line 558 of file IFunction.h.

Referenced by sortTies().

◆ init()

void Mantid::API::IFunction::init ( )

protectedvirtual

Function initialization. Declare function parameters in this method.

Initialize the function. Calls declareAttributes & declareParameters.

Definition at line 1454 of file IFunction.cpp.

References declareAttributes(), and declareParameters().

◆ initialize()

virtual void Mantid::API::IFunction::initialize ( )

inlinevirtual

Iinialize the function.

Definition at line 422 of file IFunction.h.

Referenced by export_IFunction(), Mantid::CurveFitting::Algorithms::FitPowderDiffPeaks::genPeak(), and Mantid::CurveFitting::Algorithms::FitPowderDiffPeaks::genPeaksFromTable().

◆ isActive()

bool Mantid::API::IFunction::isActive ( size_t i ) const

Check if an active parameter i is actually active.

Parameters

i	:: Index of a parameter.

Definition at line 160 of file IFunction.cpp.

References Active, and getParameterStatus().

◆ isExplicitlySet()

virtual bool Mantid::API::IFunction::isExplicitlySet ( size_t i ) const

pure virtual

Checks if a parameter has been set explicitly.

Implemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::API::ParamFunction, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

Referenced by export_IFunction(), setMatrixWorkspace(), and Mantid::CurveFitting::ParameterEstimator::whichFunction().

◆ isFixed()

bool Mantid::API::IFunction::isFixed ( size_t i ) const

Check if a parameter i is fixed.

Query if the parameter is fixed.

Parameters

i	:: The index of a declared parameter

Returns: true if parameter i is fixed

Definition at line 167 of file IFunction.cpp.

References Fixed, FixedByDefault, and getParameterStatus().

Referenced by export_IFunction(), unfixAll(), and Mantid::CurveFitting::Functions::CrystalFieldSpectrum::writeToString().

◆ isFixedByDefault()

bool Mantid::API::IFunction::isFixedByDefault ( size_t i ) const

Check if a parameter i is fixed by default (not by user).

Parameters

i	:: The index of a parameter

Returns: true if parameter i is fixed by default

Definition at line 175 of file IFunction.cpp.

References FixedByDefault, and getParameterStatus().

◆ isParallel()

bool Mantid::API::IFunction::isParallel ( ) const

inline

Get the parallel hint.

Definition at line 636 of file IFunction.h.

◆ iterationFinished()

virtual void Mantid::API::IFunction::iterationFinished ( )

inlinevirtual

Called at the end of an iteration.

Reimplemented in Mantid::API::MultiDomainFunction, and Mantid::FrameworkTestHelpers::FunctionChangesNParams.

Definition at line 460 of file IFunction.h.

◆ iterationStarting()

virtual void Mantid::API::IFunction::iterationStarting ( )

inlinevirtual

Called at the start of each iteration.

Reimplemented in Mantid::API::MultiDomainFunction, Mantid::CurveFitting::Functions::ComptonScatteringCountRate, and Mantid::FrameworkTestHelpers::FunctionChangesNParams.

Definition at line 458 of file IFunction.h.

◆ name()

virtual std::string Mantid::API::IFunction::name ( ) const

pure virtual

Returns the function's name.

◆ nameOfActive()

std::string Mantid::API::IFunction::nameOfActive ( size_t i ) const

virtual

Returns the name of active parameter i.

Returns the name of an active parameter.

Parameters

i	:: Index of a parameter. The parameter must be active.

Reimplemented in Mantid::API::CompositeFunction.

Definition at line 1008 of file IFunction.cpp.

References isActive(), and parameterName().

◆ nAttributes()

size_t Mantid::API::IFunction::nAttributes ( ) const

virtual

Returns the number of attributes associated with the function.

Reimplemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::Crystal::PeakHKLErrors, Mantid::CurveFitting::Functions::BivariateNormal, Mantid::CurveFitting::Functions::CrystalFieldFunction, Mantid::CurveFitting::Functions::FullprofPolynomial, Mantid::CurveFitting::Functions::Polynomial, Mantid::CurveFitting::Functions::Resolution, Mantid::CurveFitting::Functions::TabulatedFunction, and Mantid::CurveFitting::Functions::UserFunction.

Definition at line 1336 of file IFunction.cpp.

References m_attrs.

Referenced by Mantid::API::FunctionGenerator::attributeName(), attributeName(), Mantid::CurveFitting::Functions::CrystalFieldFunction::buildAttributeNames(), export_IFunction(), getAttributeNames(), Mantid::API::FunctionGenerator::nAttributes(), Mantid::CurveFitting::Functions::TabulatedFunction::nAttributes(), and MantidQt::MantidWidgets::FunctionModel::updateMultiDatasetAttributes().

◆ nFunctions()

virtual std::size_t Mantid::API::IFunction::nFunctions ( ) const

inlinevirtual

Number of child functions.

Reimplemented in Mantid::API::CompositeFunction.

Definition at line 611 of file IFunction.h.

Referenced by MantidQt::MantidWidgets::ConvolutionFunctionModel::iterateThroughFunction(), and MantidQt::MantidWidgets::ConvolutionFunctionModel::setPrefix().

◆ nParams()

virtual size_t Mantid::API::IFunction::nParams ( ) const

pure virtual

Total number of parameters.

Implemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::API::ParamFunction, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

Referenced by Mantid::CurveFitting::CostFunctions::CostFuncPoisson::calculateDerivative(), Mantid::CurveFitting::CostFunctions::CostFuncPoisson::calculateHessian(), calNumericalDeriv(), clearTies(), clone(), MantidQt::MantidWidgets::IFunctionModel::copyParametersAndErrors(), Mantid::CurveFitting::EigenJacobian::EigenJacobian(), Mantid::CurveFitting::Algorithms::EstimatePeakErrors::exec(), export_IFunction(), fixAll(), fixAllActive(), getParameterNames(), Mantid::CurveFitting::Functions::CrystalFieldFunction::makeMapsForFunction(), Mantid::CurveFitting::Functions::Convolution::refreshResolution(), removeTie(), setCovarianceMatrix(), setMatrixWorkspace(), sortTies(), unfixAll(), unfixAllDefault(), and writeToString().

◆ operator=()

IFunction & Mantid::API::IFunction::operator= ( const IFunction & )

delete

No copying.

◆ parameterDescription()

virtual std::string Mantid::API::IFunction::parameterDescription ( size_t i ) const

pure virtual

Returns the description of parameter i.

Implemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::API::ParamFunction, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

Referenced by descriptionOfActive(), and export_IFunction().

◆ parameterIndex()

virtual size_t Mantid::API::IFunction::parameterIndex ( const std::string & name ) const

pure virtual

Returns the index of parameter name.

Implemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::API::ImmutableCompositeFunction, Mantid::API::ParamFunction, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

Referenced by Mantid::API::ParameterTie::AddVariable(), Mantid::CurveFitting::Constraints::BoundaryConstraint::BoundaryConstraint(), export_IFunction(), fixParameter(), Mantid::CurveFitting::Constraints::BoundaryConstraint::initialize(), removeConstraint(), removeTie(), Mantid::API::ParameterReference::reset(), setConstraintPenaltyFactor(), Mantid::CurveFitting::Functions::IkedaCarpenterPV::setMatrixWorkspace(), and unfixParameter().

◆ parameterName()

virtual std::string Mantid::API::IFunction::parameterName ( size_t i ) const

pure virtual

Returns the name of parameter i.

Implemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::API::ImmutableCompositeFunction, Mantid::API::ParamFunction, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

Referenced by activeParameter(), Mantid::CurveFitting::Functions::PawleyParameterFunction::addAngleConstraint(), Mantid::CurveFitting::Functions::PawleyParameterFunction::addLengthConstraint(), MantidQt::MantidWidgets::FitPropertyBrowser::addTieToFunction(), Mantid::API::ParameterTie::asString(), MantidQt::MantidWidgets::FitPropertyBrowser::deleteTie(), descriptionOfActive(), export_IFunction(), fix(), Mantid::CurveFitting::Functions::CrystalFieldFunction::makeMapsForFunction(), nameOfActive(), Mantid::API::ParameterReference::parameterName(), Mantid::API::ParameterTie::set(), setActiveParameter(), setMatrixWorkspace(), unfix(), and writeToString().

◆ registerFunctionUsage()

void Mantid::API::IFunction::registerFunctionUsage ( bool internal )

virtual

Registers the usage of the algorithm with the UsageService.

Registers the usage of the function with the UsageService.

Reimplemented in Mantid::API::CompositeFunction.

Definition at line 97 of file IFunction.cpp.

References Mantid::Kernel::Function, Mantid::Kernel::SingletonHolder< T >::Instance(), m_isRegistered, and name().

◆ removeConstraint()

void Mantid::API::IFunction::removeConstraint ( const std::string & parName )

virtual

Remove a constraint.

Parameters

parName :: The name of a parameter which constarint to remove.

Reimplemented in Mantid::API::CompositeFunction, and Mantid::API::FunctionParameterDecorator.

Definition at line 403 of file IFunction.cpp.

References m_constraints, and parameterIndex().

Referenced by export_IFunction(), Mantid::API::CompositeFunction::removeConstraint(), and Mantid::CurveFitting::Functions::CrystalFieldUtils::setWidthConstraint().

◆ removeTie() [1/2]

void Mantid::API::IFunction::removeTie ( const std::string & parName )

virtual

Removes the tie off a parameter.

The parameter becomes active This method can be used when constructing and editing the IFunction in a GUI

Parameters

parName :: The name of the parameter which ties will be removed.

Reimplemented in Mantid::API::CompositeFunction, and Mantid::API::FunctionParameterDecorator.

Definition at line 254 of file IFunction.cpp.

References parameterIndex(), and removeTie().

Referenced by export_IFunction(), removeTie(), Mantid::API::CompositeFunction::removeTie(), and Mantid::CurveFitting::Functions::Gaussian::unfixIntensity().

◆ removeTie() [2/2]

bool Mantid::API::IFunction::removeTie ( size_t i )

virtual

Removes i-th parameter's tie.

Removes i-th parameter's tie if it is tied or does nothing.

Parameters

i	:: The index of the tied parameter.

Returns: True if successfull

Reimplemented in Mantid::API::CompositeFunction, Mantid::API::CompositeFunction, and Mantid::API::FunctionParameterDecorator.

Definition at line 338 of file IFunction.cpp.

References Active, m_ties, nParams(), setParameterStatus(), and unfix().

◆ reportProgress()

void Mantid::API::IFunction::reportProgress ( const std::string & msg = "" ) const

Reports progress with an optional message.

If a reporter object is set, reports progress with an optional message.

Parameters

msg	:: A message to display (default = "")

Definition at line 132 of file IFunction.cpp.

References m_progReporter.

Referenced by Mantid::API::IFunctionMD::evaluateFunction().

◆ setActiveParameter()

void Mantid::API::IFunction::setActiveParameter	(	size_t	i,
		double	value
	)

virtual

Set new value of i-th active parameter.

Override this method to make fitted parameters different from the declared

Definition at line 997 of file IFunction.cpp.

References isActive(), parameterName(), setParameter(), and value.

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

◆ setAttribute()

void Mantid::API::IFunction::setAttribute	(	const std::string &	name,
		const Attribute &	value
	)

virtual

Set a value to attribute attName.

Set a value to a named attribute.

Can be overridden in the inheriting class, the default just stores the value

Parameters

name	:: The name of the attribute
value	:: The value of the attribute

Definition at line 1409 of file IFunction.cpp.

References name(), storeAttributeValue(), and value.

◆ setAttributeValue() [1/3]

void Mantid::API::IFunction::setAttributeValue	(	const std::string &	attName,
		const char *	value
	)

Overload for const char* values.

Parameters

attName	:: Attribute name
value	:: New attribute value to set

Definition at line 1346 of file IFunction.cpp.

References setAttributeValue(), and value.

◆ setAttributeValue() [2/3]

void Mantid::API::IFunction::setAttributeValue	(	const std::string &	attName,
		const std::string &	value
	)

Set string attribute by value.

Make sure that quoted style doesn't change.

Parameters

attName	:: Attribute name
value	:: New attribute value to set

Definition at line 1356 of file IFunction.cpp.

References getAttribute(), setAttribute(), Mantid::API::IFunction::Attribute::setString(), and value.

◆ setAttributeValue() [3/3]

template<typename T >

void Mantid::API::IFunction::setAttributeValue	(	const std::string &	attName,
		const T &	value
	)

inline

Set an attribute value.

Definition at line 597 of file IFunction.h.

References value.

Referenced by Mantid::CurveFitting::Functions::CrystalFieldPeaksBase::calculateEigenSystem(), Mantid::CurveFitting::Functions::DiffRotDiscreteCircle::init(), Mantid::CurveFitting::Functions::DiffSphere::init(), Mantid::CurveFitting::Functions::CrystalFieldControl::setAttribute(), setAttributeValue(), Mantid::CurveFitting::Functions::FunctionQDepends::setMatrixWorkspace(), and Mantid::CurveFitting::Functions::CubicSpline::setXAttribute().

◆ setConstraintPenaltyFactor()

void Mantid::API::IFunction::setConstraintPenaltyFactor	(	const std::string &	parName,
		const double &	c
	)

virtual

Set a constraint penalty.

Parameters

parName	:: The name of a constraint
c	:: The penalty

Definition at line 417 of file IFunction.cpp.

References Mantid::API::g_log, m_constraints, parameterIndex(), and Mantid::Kernel::Logger::warning().

Referenced by export_IFunction().

◆ setCovarianceMatrix()

void Mantid::API::IFunction::setCovarianceMatrix ( const std::shared_ptr< Kernel::Matrix< double > > & covar )

Set the covariance matrix.

Algorithm Fit sets this matrix to the top-level function after fitting. If the function is composite the matrix isn't set to its members. The matrix must be square and its size equal to the number of parameters of this function.

Parameters

covar :: A matrix to set.

Definition at line 1496 of file IFunction.cpp.

References m_covar, and nParams().

◆ setError() [1/2]

virtual void Mantid::API::IFunction::setError	(	const std::string &	name,
		double	err
	)

pure virtual

Set the fitting error for a parameter by name.

Implemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::API::ParamFunction, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

◆ setError() [2/2]

virtual void Mantid::API::IFunction::setError	(	size_t	i,
		double	err
	)

pure virtual

Set the fitting error for a parameter.

Implemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::API::ParamFunction, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

Referenced by MantidQt::MantidWidgets::IFunctionModel::copyParametersAndErrors(), and export_IFunction().

◆ setHandler()

void Mantid::API::IFunction::setHandler ( std::unique_ptr< FunctionHandler > handler )

Set a function handler.

Parameters

handler :: A new handler

Definition at line 562 of file IFunction.cpp.

References m_handler.

◆ setMatrixWorkspace()

void Mantid::API::IFunction::setMatrixWorkspace	(	std::shared_ptr< const API::MatrixWorkspace >	workspace,
		size_t	wi,
		double	startX,
		double	endX
	)

virtual

Set matrix workspace.

Initialize the function providing it the workspace.

Parameters

workspace	:: The workspace to set
wi	:: The workspace index
startX	:: The lower bin index
endX	:: The upper bin index

Definition at line 1100 of file IFunction.cpp.

References addConstraint(), convertValue(), Mantid::Kernel::Logger::debug(), detectorIndex, Mantid::Kernel::Logger::error(), Mantid::API::g_log, getParameter(), Mantid::Kernel::SingletonHolder< T >::Instance(), isExplicitlySet(), name(), nParams(), parameterName(), setParameter(), Mantid::API::IConstraint::setPenaltyFactor(), tie(), UNUSED_ARG, Mantid::Kernel::Logger::warning(), and workspace.

Referenced by Mantid::API::IFunctionMW::setMatrixWorkspace().

◆ setParallel()

void Mantid::API::IFunction::setParallel ( bool on )

inline

Set the parallel hint.

Definition at line 634 of file IFunction.h.

◆ setParameter() [1/2]

virtual void Mantid::API::IFunction::setParameter	(	const std::string &	name,
		const double &	value,
		bool	explicitlySet = `true`
	)

pure virtual

Set parameter by name.

Implemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::API::ImmutableCompositeFunction, Mantid::API::IPeakFunction, Mantid::API::IPowderDiffPeakFunction, Mantid::API::ParamFunction, Mantid::CurveFitting::Functions::ComptonProfile, Mantid::CurveFitting::Functions::CrystalFieldFunction, Mantid::CurveFitting::Functions::CubicSpline, Mantid::CurveFitting::Functions::NeutronBk2BkExpConvPVoigt, Mantid::CurveFitting::Functions::PseudoVoigt, and Mantid::CurveFitting::Functions::ThermalNeutronBk2BkExpConvPVoigt.

◆ setParameter() [2/2]

virtual void Mantid::API::IFunction::setParameter	(	size_t	,
		const double &	value,
		bool	explicitlySet = `true`
	)

pure virtual

Set i-th parameter.

Implemented in Mantid::API::FunctionParameterDecorator, Mantid::API::ImmutableCompositeFunction, Mantid::API::IPowderDiffPeakFunction, Mantid::CurveFitting::Functions::ComptonProfile, Mantid::CurveFitting::Functions::CubicSpline, Mantid::CurveFitting::Functions::NeutronBk2BkExpConvPVoigt, Mantid::CurveFitting::Functions::PseudoVoigt, Mantid::CurveFitting::Functions::ThermalNeutronBk2BkExpConvPVoigt, Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::IPeakFunction, Mantid::API::ParamFunction, Mantid::CurveFitting::Functions::CrystalFieldFunction, and Mantid::CurveFitting::Functions::CubicSpline.

Referenced by Mantid::CurveFitting::CostFunctions::CostFuncPoisson::calculateHessian(), MantidQt::MantidWidgets::IFunctionModel::copyParametersAndErrors(), export_IFunction(), setActiveParameter(), Mantid::CurveFitting::ParameterEstimator::setBackToBackExponential(), setMatrixWorkspace(), Mantid::API::ParameterReference::setParameter(), Mantid::CurveFitting::Functions::PawleyParameterFunction::setParametersFromUnitCell(), Mantid::CurveFitting::ParameterEstimator::setValues(), and tie().

◆ setParameterDescription() [1/2]

virtual void Mantid::API::IFunction::setParameterDescription	(	const std::string &	name,
		const std::string &	description
	)

pure virtual

Set description of parameter by name.

Implemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::API::ImmutableCompositeFunction, Mantid::API::ParamFunction, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

◆ setParameterDescription() [2/2]

virtual void Mantid::API::IFunction::setParameterDescription	(	size_t	,
		const std::string &	description
	)

pure virtual

Set i-th parameter description.

Implemented in Mantid::API::FunctionParameterDecorator, Mantid::API::ImmutableCompositeFunction, Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::ParamFunction, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

◆ setParameterStatus()

virtual void Mantid::API::IFunction::setParameterStatus	(	size_t	i,
		ParameterStatus	status
	)

pure virtual

Change status of parameter.

Implemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::API::ParamFunction, and Mantid::CurveFitting::Functions::CrystalFieldFunction.

Referenced by addTie(), clearTies(), fix(), removeTie(), and unfix().

◆ setProgressReporter()

void Mantid::API::IFunction::setProgressReporter ( std::shared_ptr< Kernel::ProgressBase > reporter )

Attach a progress reporter.

Parameters

reporter :: A pointer to a progress reporter that can be called during function evaluation

Definition at line 123 of file IFunction.cpp.

References m_progReporter.

◆ setReducedChiSquared()

void Mantid::API::IFunction::setReducedChiSquared ( double chi2 )

inline

Set the reduced chi^2.

Definition at line 629 of file IFunction.h.

◆ setStepSizeMethod()

void Mantid::API::IFunction::setStepSizeMethod ( const StepSizeMethod method )

virtual

Sets the StepSizeMethod to use when calculation the step size.

Sets the function to use when calculating the step size.

Parameters

method :: An enum indicating which method to use when calculating the step size.

Reimplemented in Mantid::API::CompositeFunction.

Definition at line 1082 of file IFunction.cpp.

References DEFAULT, m_stepSizeFunction, and SQRT_EPSILON.

◆ setUpForFit()

void Mantid::API::IFunction::setUpForFit ( )

virtual

Set up the function for a fit.

Reimplemented in Mantid::API::CompositeFunction, Mantid::API::FunctionGenerator, Mantid::API::FunctionParameterDecorator, Mantid::CurveFitting::Functions::ComptonPeakProfile, Mantid::CurveFitting::Functions::ComptonProfile, Mantid::CurveFitting::Functions::Convolution, Mantid::CurveFitting::Functions::CrystalFieldFunction, and Mantid::CurveFitting::Functions::VesuvioResolution.

Definition at line 433 of file IFunction.cpp.

References m_constraints.

Referenced by Mantid::API::CompositeFunction::setUpForFit(), Mantid::API::FunctionGenerator::setUpForFit(), and Mantid::CurveFitting::Functions::CrystalFieldFunction::setUpForFit().

◆ setWorkspace()

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

inlinevirtual

Set the workspace.

Parameters

ws	:: Shared pointer to a workspace

Reimplemented in Mantid::CurveFitting::Functions::ComptonPeakProfile, Mantid::CurveFitting::Functions::InelasticDiffRotDiscreteCircle, Mantid::CurveFitting::Functions::InelasticDiffSphere, Mantid::API::CompositeFunction, Mantid::API::FunctionParameterDecorator, and Mantid::API::IFunctionMD.

Definition at line 417 of file IFunction.h.

References UNUSED_ARG.

◆ sortTies()

void Mantid::API::IFunction::sortTies ( )

Put all ties in order in which they will be applied correctly.

Definition at line 1584 of file IFunction.cpp.

References Mantid::API::ParameterTie::asString(), getParameterIndex(), getTie(), ignoreTie(), m_orderedTies, nParams(), and tie().

◆ storeAttributeValue()

void Mantid::API::IFunction::storeAttributeValue	(	const std::string &	name,
		const API::IFunction::Attribute &	value
	)

protected

Store an attribute's value.

Set a value to a named attribute, retaining validator.

Parameters

name	:: The name of the attribute
value	:: The value of the attribute

Definition at line 1464 of file IFunction.cpp.

References hasAttribute(), m_attrs, name(), and value.

Referenced by Mantid::CurveFitting::Functions::BSpline::resetKnots(), Mantid::PythonInterface::IFunctionAdapter::setAttribute(), Mantid::CurveFitting::Functions::BSpline::setAttribute(), Mantid::CurveFitting::Functions::Chebyshev::setAttribute(), Mantid::CurveFitting::Functions::CubicSpline::setAttribute(), Mantid::CurveFitting::Functions::ReflectivityMulf::setAttribute(), Mantid::CurveFitting::Functions::TabulatedFunction::setAttribute(), setAttribute(), and storeReadOnlyAttribute().

◆ storeReadOnlyAttribute()

void Mantid::API::IFunction::storeReadOnlyAttribute	(	const std::string &	name,
		const API::IFunction::Attribute &	value
	)		const

protected

A read-only ("mutable") attribute can be stored in a const method.

Store a value to a named attribute if it can be considered "mutable" or read only, which simply reflects the current state of the function.

Parameters

name	:: The name of the attribute
value	:: The value of the attribute

Definition at line 1483 of file IFunction.cpp.

References name(), storeAttributeValue(), and value.

Referenced by Mantid::CurveFitting::Functions::CrystalFieldSpectrum::buildTargetFunction(), and Mantid::CurveFitting::Functions::CrystalFieldSpectrum::updateTargetFunction().

◆ tie()

void Mantid::API::IFunction::tie	(	const std::string &	parName,
		const std::string &	expr,
		bool	isDefault = `false`
	)

virtual

Tie a parameter to other parameters (or a constant)

Ties a parameter to other parameters.

Parameters

parName	:: The name of the parameter to tie.
expr	:: A math expression
isDefault	:: Flag to mark as default the value of an object associated with this reference: a tie or a constraint.

Returns: newly ties parameters

Reimplemented in Mantid::API::FunctionParameterDecorator.

Definition at line 214 of file IFunction.cpp.

References addTie(), fix(), getParameterIndex(), and setParameter().

Referenced by addTie(), addTies(), applyOrderedTies(), applyTies(), export_IFunction(), Mantid::CurveFitting::Functions::Gaussian::fixIntensity(), Mantid::API::CompositeFunction::getTie(), Mantid::API::FunctionGenerator::getTie(), Mantid::CurveFitting::Functions::CrystalFieldFunction::getTie(), Mantid::CurveFitting::Functions::CrystalFieldFunction::ignoreTie(), Mantid::CurveFitting::Functions::BivariateNormal::initCommon(), Mantid::API::CompositeFunction::removeFunction(), setMatrixWorkspace(), Mantid::API::CompositeFunction::setUpForFit(), sortTies(), writeTies(), and Mantid::CurveFitting::Functions::CrystalFieldSpectrum::writeToString().

◆ unfix()

void Mantid::API::IFunction::unfix ( size_t i )

Restores a declared parameter i to the active status.

Makes a parameter active again.

It doesn't change the parameter's tie.

Parameters

i	:: A declared parameter index to be restored to active

Definition at line 197 of file IFunction.cpp.

References Active, getParameterStatus(), parameterName(), setParameterStatus(), Tied, and std::to_string().

Referenced by export_IFunction(), removeTie(), unfixAll(), unfixAllDefault(), and unfixParameter().

◆ unfixAll()

void Mantid::API::IFunction::unfixAll ( )

Free all parameters.

Definition at line 1538 of file IFunction.cpp.

References isFixed(), nParams(), and unfix().

Referenced by export_IFunction().

◆ unfixAllDefault()

void Mantid::API::IFunction::unfixAllDefault ( )

Free all parameters fixed by default.

Definition at line 1547 of file IFunction.cpp.

References FixedByDefault, getParameterStatus(), nParams(), and unfix().

Referenced by Mantid::CurveFitting::Functions::CrystalFieldUtils::updatePeak().

◆ unfixParameter()

void Mantid::API::IFunction::unfixParameter ( const std::string & name )

Free a parameter.

Parameters

name	:: A name of a parameter to free

Definition at line 1522 of file IFunction.cpp.

References name(), parameterIndex(), and unfix().

Referenced by export_IFunction(), Mantid::CurveFitting::Functions::Gaussian::unfixCentre(), Mantid::CurveFitting::Functions::Lorentzian::unfixCentre(), and Mantid::CurveFitting::Functions::Lorentzian::unfixIntensity().

◆ writeConstraints()

std::string Mantid::API::IFunction::writeConstraints ( ) const

Write a parameter constraint to a string.

Write all parameter constraints owned by this function to a string.

Returns: A constraint string for the parameter.

Definition at line 441 of file IFunction.cpp.

References m_constraints.

Referenced by export_IFunction(), writeToString(), Mantid::API::CompositeFunction::writeToString(), and Mantid::CurveFitting::Functions::CrystalFieldSpectrum::writeToString().

◆ writeTies()

std::string Mantid::API::IFunction::writeTies ( ) const

Write a parameter tie to a string.

Write all parameter ties owned by this function to a string.

Returns: A tie string for the parameter.

Definition at line 261 of file IFunction.cpp.

References m_ties, and tie().

Referenced by export_IFunction(), writeToString(), Mantid::API::CompositeFunction::writeToString(), and Mantid::CurveFitting::Functions::CrystalFieldSpectrum::writeToString().

◆ writeToString()

std::string Mantid::API::IFunction::writeToString ( const std::string & parentLocalAttributesStr = "" ) const

protectedvirtual

Writes itself into a string.

Writes this function into a string.

Parameters

parentLocalAttributesStr :: A preformatted string with local attributes of a parent composite function. Can be passed in by a CompositeFunction (eg MultiDomainFunction).

Returns: string representation of the function

Reimplemented in Mantid::API::CompositeFunction, Mantid::API::ImmutableCompositeFunction, and Mantid::CurveFitting::Functions::CrystalFieldSpectrum.

Definition at line 471 of file IFunction.cpp.

References Fixed, getAttribute(), getAttributeNames(), getParameter(), getParameterStatus(), Mantid::Kernel::Strings::join(), name(), nParams(), parameterName(), Mantid::API::IFunction::Attribute::value(), writeConstraints(), and writeTies().

Referenced by asString(), and Mantid::API::ImmutableCompositeFunction::writeToString().

Friends And Related Function Documentation

◆ CompositeFunction

friend class CompositeFunction

friend

Definition at line 699 of file IFunction.h.

Referenced by Mantid::CurveFitting::Functions::CrystalFieldFunction::buildMultiSiteSingleSpectrum(), Mantid::CurveFitting::Functions::CrystalFieldFunction::buildSingleSiteSingleSpectrum(), and Mantid::CurveFitting::Functions::CrystalFieldFunction::buildSpectrum().

◆ FunctionGenerator

friend class FunctionGenerator

friend

Definition at line 701 of file IFunction.h.

◆ FunctionParameterDecorator

friend class FunctionParameterDecorator

friend

Definition at line 700 of file IFunction.h.

◆ ParameterTie

friend class ParameterTie

friend

Definition at line 698 of file IFunction.h.

Member Data Documentation

◆ m_attrs

std::map<std::string, API::IFunction::Attribute> Mantid::API::IFunction::m_attrs

private

The declared attributes.

Definition at line 714 of file IFunction.h.

Referenced by attributeName(), checkAttributeName(), declareAttribute(), getAttribute(), hasAttribute(), nAttributes(), storeAttributeValue(), and ~IFunction().

◆ m_chiSquared

double Mantid::API::IFunction::m_chiSquared

private

The chi-squared of the last fit.

Definition at line 718 of file IFunction.h.

◆ m_constraints

std::vector<std::unique_ptr<IConstraint> > Mantid::API::IFunction::m_constraints

private

Holds the constraints added to function.

Definition at line 722 of file IFunction.h.

Referenced by addConstraint(), clearConstraints(), getConstraint(), removeConstraint(), setConstraintPenaltyFactor(), setUpForFit(), and writeConstraints().

◆ m_covar

std::shared_ptr<Kernel::Matrix<double> > Mantid::API::IFunction::m_covar

private

The covariance matrix of the fitting parameters.

Definition at line 716 of file IFunction.h.

Referenced by setCovarianceMatrix().

◆ m_handler

std::unique_ptr<FunctionHandler> Mantid::API::IFunction::m_handler

protected

Pointer to a function handler.

Definition at line 707 of file IFunction.h.

Referenced by setHandler().

◆ m_isParallel

bool Mantid::API::IFunction::m_isParallel

protected

Flag to hint that the function is being used in parallel computations.

Definition at line 704 of file IFunction.h.

◆ m_isRegistered

bool Mantid::API::IFunction::m_isRegistered {false}

private

whether the function usage has been registered

Definition at line 726 of file IFunction.h.

Referenced by registerFunctionUsage().

◆ m_orderedTies

std::vector<ParameterTie *> Mantid::API::IFunction::m_orderedTies

private

Ties ordered in order of correct application.

Definition at line 724 of file IFunction.h.

Referenced by applyOrderedTies(), hasOrderedTies(), and sortTies().

◆ m_progReporter

std::shared_ptr<Kernel::ProgressBase> Mantid::API::IFunction::m_progReporter

protected

Pointer to the progress handler.

Definition at line 710 of file IFunction.h.

Referenced by cancellationRequestReceived(), reportProgress(), and setProgressReporter().

◆ m_stepSizeFunction

std::function<double(const double)> Mantid::API::IFunction::m_stepSizeFunction

private

The function used to calculate the step size.

Definition at line 728 of file IFunction.h.

Referenced by calculateStepSize(), and setStepSizeMethod().

◆ m_ties

std::vector<std::unique_ptr<ParameterTie> > Mantid::API::IFunction::m_ties

private

Holds parameter ties.

Definition at line 720 of file IFunction.h.

Referenced by addTie(), applyTies(), clearTies(), getTie(), removeTie(), and writeTies().

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

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

Classes

Public Member Functions

Attributes

Detailed Description

Member Enumeration Documentation

◆ ParameterStatus

◆ StepSizeMethod

Constructor & Destructor Documentation

◆ IFunction() [1/2]

◆ ~IFunction()

◆ IFunction() [2/2]

Member Function Documentation

◆ activeParameter()

◆ addConstraint()

◆ addConstraints()

◆ addTie()

◆ addTies()

◆ applyOrderedTies()

◆ applyTies()

◆ asString()

◆ attributeName()

◆ calculateStepSize()

◆ calNumericalDeriv()

◆ cancellationRequestReceived()

◆ categories()

◆ category()

◆ categorySeparator()

◆ checkAttributeName()

◆ clearConstraints()

◆ clearTies()

◆ clone()

◆ convertValue() [1/2]

◆ convertValue() [2/2]

◆ createEquivalentFunctions()

◆ declareAttribute() [1/2]

◆ declareAttribute() [2/2]

◆ declareAttributes()

◆ declareParameter()

◆ declareParameters()

◆ descriptionOfActive()

◆ estimateNoProgressCalls()

◆ fix()

◆ fixAll()

◆ fixAllActive()

◆ fixParameter()

◆ function()

◆ functionDeriv()

◆ getAttribute()

◆ getAttributeNames()

◆ getConstraint()

◆ getCovarianceMatrix()

◆ getError() [1/2]

◆ getError() [2/2]

◆ getFunction()

◆ getHandler()

◆ getNumberDomains()

◆ getParameter() [1/2]

◆ getParameter() [2/2]

◆ getParameterIndex()

◆ getParameterNames()

◆ getParameterStatus()

◆ getReducedChiSquared()

◆ getTie()

◆ getValuesSize()

◆ hasAttribute()

◆ hasOrderedTies()

◆ hasParameter()

◆ ignoreTie()

◆ init()

◆ initialize()

◆ isActive()

◆ isExplicitlySet()

◆ isFixed()

◆ isFixedByDefault()

◆ isParallel()

◆ iterationFinished()

◆ iterationStarting()

◆ name()

◆ nameOfActive()

◆ nAttributes()