#include <IsoRotDiff.h>

Inheritance diagram for Mantid::CurveFitting::Functions::IsoRotDiff:

Public Member Functions
const std::string	category () const override
	overwrite IFunction base class methods More...

virtual void	declareAttribute (const std::string &name, const API::IFunction::Attribute &defaultValue)
	Override parent definition. More...

void	init () override
	overwrite IFunction base class method, which declare function parameters More...

std::string	name () const override
	overwrite IFunction base class methods More...

void	setAttribute (const std::string &name, const API::IFunction::Attribute &att) override
	Override parent definition. More...

virtual void	trickleDownAttribute (const std::string &name)
	Propagate an attribute to member functions. More...

virtual int	version () const
	overwrite IFunction base class methods More...

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

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

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

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

Public Member Functions inherited from Mantid::API::CompositeFunction
double	activeParameter (size_t i) const override
	Value of i-th active parameter. More...

virtual size_t	addFunction (IFunction_sptr f)
	Add a function at the back of the internal function list. More...

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

std::size_t	attributeFunctionIndex (std::size_t i) const
	Get the index of the function to which parameter i belongs. More...

std::string	attributeName (size_t i) const override
	Returns the name of attribute i. More...

void	checkFunction ()
	Check the function. More...

void	clear ()
	Remove all member functions. More...

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

	CompositeFunction ()
	Default constructor. More...

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

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

void	function (const FunctionDomain &domain, FunctionValues &values) const override
	Function you want to fit to. More...

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

std::size_t	functionIndex (const std::string &functionName) const
	Get the first function index with a matching function name. More...

std::size_t	functionIndex (std::size_t i) const
	Get the function index. More...

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

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

IFunction_sptr	getContainingFunction (const ParameterReference &ref) const
	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	getError (size_t i, size_t j) const
	Get the fitting error for i-th function's j-th parameter. More...

IFunction_sptr	getFunction (std::size_t i) const override
	Returns the pointer to i-th function. More...

virtual Attribute	getLocalAttribute (size_t i, const std::string &attName) const
	Return a value of attribute attName. More...

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

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

double	getParameter (size_t i, size_t j) const
	Get parameter from i-th function, j-th local parameter index. More...

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

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

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

bool	hasAttribute (const std::string &name) const override
	Check if a function has an attribute with this name. More...

bool	hasFunction (const std::string &functionName) const
	Returns true if the composite has at least one of this function. More...

virtual bool	hasLocalAttribute (const std::string &) const
	Check if attribute attName exists. 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...

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

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

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

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

size_t	nGlobalAttributes () const noexcept

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

size_t	parameterLocalIndex (size_t i, bool recursive=false) const
	Returns the index of parameter i as it declared in its function. More...

std::string	parameterLocalName (size_t i, bool recursive=false) const
	Returns the name of parameter i as it declared in its function. More...

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

std::string	parameterName (size_t i, size_t j) const
	Returns the name of i-th function's j-th parameter. More...

void	registerFunctionUsage (bool internal) override
	Registers the usage of the function with the UsageService. More...

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

void	removeFunction (size_t i)
	Remove a function. More...

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

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

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

void	replaceFunction (size_t functionIndex, const IFunction_sptr &f)
	Replace a function. More...

void	replaceFunctionPtr (const IFunction_sptr &f_old, const IFunction_sptr &f_new)
	Replace a function. More...

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

void	setAttribute (const std::string &name, const API::IFunction::Attribute &value) override
	Set a value of a named attribute. 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...

virtual void	setLocalAttribute (size_t i, const std::string &attName, const Attribute &)
	Set a value to attribute attName. More...

void	setLocalAttributeValue (size_t i, const std::string &attName, const char *value)

template<typename T >
void	setLocalAttributeValue (size_t i, const std::string &attName, const T &value)

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

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

void	setStepSizeMethod (const StepSizeMethod stepSizeMethod) override
	Sets the function to use when calculating the step size. More...

void	setUpForFit () override
	Prepare function for a fit. More...

void	setWorkspace (std::shared_ptr< const Workspace > ws) override
	Sets the workspace for each member function. More...

void	updateActive (const double *in)
	Update parameters after a fitting iteration. 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...

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 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 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 std::vector< std::string >	getAttributeNames () const
	Returns a list of attribute names. 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 size_t	getValuesSize (const FunctionDomain &domain) const
	Get number of values for a given domain. 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...

Private Attributes
std::shared_ptr< Mantid::CurveFitting::Functions::ElasticIsoRotDiff >	m_elastic

std::shared_ptr< Mantid::CurveFitting::Functions::InelasticIsoRotDiff >	m_inelastic

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...

Static Public Member Functions inherited from Mantid::API::CompositeFunction
static std::pair< std::string, size_t >	parseName (const std::string &varName)
	Extract function index and parameter name from a variable name. More...

Protected Member Functions inherited from Mantid::API::ImmutableCompositeFunction
void	addDefaultConstraints (const std::string &constraints)
	Add default constraints. More...

void	addDefaultTies (const std::string &ties)
	Add default ties. More...

void	addFunction (IFunction *fun)
	Overload addFunction to take a bare pointer. More...

virtual size_t	addFunction (IFunction_sptr f)
	Make it protected. More...

void	setAlias (const std::string &parName, const std::string &alias)
	Define an alias for a parameter. More...

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

Protected Member Functions inherited from Mantid::API::CompositeFunction
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 a validator. More...

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

void	init () override
	Function initialization. Declare function parameters in this method. More...

size_t	paramOffset (size_t i) const

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

Protected Member Functions inherited from Mantid::API::IFunction
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 ()

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

Author: Jose Borreguero, NScD

Date: 25/09/2016

Definition at line 28 of file IsoRotDiff.h.

Member Function Documentation

◆ category()

const std::string Mantid::CurveFitting::Functions::IsoRotDiff::category ( ) const

inlineoverridevirtual

overwrite IFunction base class methods

Reimplemented from Mantid::API::IFunction.

Definition at line 35 of file IsoRotDiff.h.

◆ declareAttribute()

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

virtual

Override parent definition.

Overwrite attributes of member functions with same name.

Definition at line 53 of file IsoRotDiff.cpp.

References name(), and trickleDownAttribute().

Referenced by init().

◆ init()

void Mantid::CurveFitting::Functions::IsoRotDiff::init ( )

overridevirtual

overwrite IFunction base class method, which declare function parameters

Initialize elastic and inelastic parts, aliases, attributes, and ties.

Reimplemented from Mantid::API::CompositeFunction.

Definition at line 71 of file IsoRotDiff.cpp.

References Mantid::API::ImmutableCompositeFunction::addDefaultTies(), Mantid::API::ImmutableCompositeFunction::addFunction(), Mantid::API::CompositeFunction::applyTies(), declareAttribute(), Mantid::Kernel::SingletonHolder< T >::Instance(), m_elastic, and m_inelastic.

◆ name()

std::string Mantid::CurveFitting::Functions::IsoRotDiff::name ( ) const

inlineoverridevirtual

overwrite IFunction base class methods

Reimplemented from Mantid::API::ImmutableCompositeFunction.

Definition at line 32 of file IsoRotDiff.h.

Referenced by declareAttribute(), and setAttribute().

◆ setAttribute()

void Mantid::CurveFitting::Functions::IsoRotDiff::setAttribute	(	const std::string &	name,
		const API::IFunction::Attribute &	att
	)

overridevirtual

Override parent definition.

Overwrite attributes of member functions with same name.

Parameters

name	Name of the attribute
att	the attribute to be propagated to elastic and inelastic parts

Reimplemented from Mantid::API::CompositeFunction.

Definition at line 63 of file IsoRotDiff.cpp.

References name(), and trickleDownAttribute().

◆ trickleDownAttribute()

void Mantid::CurveFitting::Functions::IsoRotDiff::trickleDownAttribute ( const std::string & name )

virtual

Propagate an attribute to member functions.

Propagate the attribute to its member functions.

NOTE: we pass this->getAttribute(name) by reference, thus the same object is shared by the composite function and its members.

Parameters

name	Name of the attribute

Definition at line 41 of file IsoRotDiff.cpp.

Referenced by declareAttribute(), and setAttribute().

◆ version()

virtual int Mantid::CurveFitting::Functions::IsoRotDiff::version ( ) const

inlinevirtual

overwrite IFunction base class methods

Definition at line 38 of file IsoRotDiff.h.

Member Data Documentation

◆ m_elastic

std::shared_ptr<Mantid::CurveFitting::Functions::ElasticIsoRotDiff> Mantid::CurveFitting::Functions::IsoRotDiff::m_elastic

private

Definition at line 54 of file IsoRotDiff.h.

Referenced by init().

◆ m_inelastic

std::shared_ptr<Mantid::CurveFitting::Functions::InelasticIsoRotDiff> Mantid::CurveFitting::Functions::IsoRotDiff::m_inelastic

private

Definition at line 56 of file IsoRotDiff.h.

Referenced by init().

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

Framework/CurveFitting/inc/MantidCurveFitting/Functions/IsoRotDiff.h
Framework/CurveFitting/src/Functions/IsoRotDiff.cpp

Public Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Member Function Documentation

◆ category()

◆ declareAttribute()

◆ init()

◆ name()

◆ setAttribute()

◆ trickleDownAttribute()

◆ version()

Member Data Documentation

◆ m_elastic

◆ m_inelastic