A wrapper around GSL functions implementing cubic spline interpolation. More...

#include <CubicSpline.h>

Inheritance diagram for Mantid::CurveFitting::Functions::CubicSpline:

Classes
struct	GSLFree
	Functor to free a GSL objects in a shared pointer. More...

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

	CubicSpline ()
	Constructor. More...

void	derivative1D (double out, const double xValues, size_t nData, const size_t order) const override
	Calculate the derivatives for a set of points on the spline. More...

void	function1D (double out, const double xValues, const size_t nData) const override
	Execute the function. More...

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

void	setAttribute (const std::string &attName, const Attribute &) override
	Set a value to attribute attName. 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 a parameter for the function and flags the spline for re-calculation. More...

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

void	setXAttribute (const size_t index, double x)
	Set the value of a data point location to x. More...

Public Member Functions inherited from Mantid::CurveFitting::Functions::BackgroundFunction
const std::string	category () const override
	overwrite IFunction base class methods More...

double	centre () const override
	Returns the centre of the function, which may be something as simple as the centre of the fitting range in the case of a background function or peak shape function this return value reflects the centre of the peak. More...

void	fit (const std::vector< double > &X, const std::vector< double > &Y) override
	Fits the function. More...

double	height () const override
	Returns the height of the function. More...

void	setCentre (const double c) override
	Sets the parameters such that centre == c. More...

void	setHeight (const double h) override
	Sets the parameters such that height == h. More...

virtual void	fit (const std::vector< double > &X, const std::vector< double > &Y)=0
	Fits the function. More...

Public Member Functions inherited from Mantid::API::IFunctionWithLocation
virtual double	centre () const =0
	Returns the centre of the function, which may be something as simple as the centre of the fitting range in the case of a background function or peak shape function this return value reflects the centre of the peak. More...

virtual void	fixCentre (bool isDefault=false)
	Fix a parameter or set up a tie such that value returned by centre() is constant during fitting. More...

virtual double	height () const =0
	Returns the height of the function. More...

virtual void	setCentre (const double c)=0
	Sets the parameters such that centre == c. More...

virtual void	setHeight (const double h)=0
	Sets the parameters such that height == h. More...

virtual void	unfixCentre ()
	Free the centre parameter. More...

	~IFunctionWithLocation () override=default
	Virtual destructor (avoids warnings about non-trivial move assignment in virtually inheriting classes) More...

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

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

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

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

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

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

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

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

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

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

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

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

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

	ParamFunction ()
	Default constructor. More...

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

	IFunction ()
	Constructor. More...

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Public Member Functions inherited from Mantid::API::IFunction1D
virtual void	derivative (const FunctionDomain &domain, FunctionValues &values, const size_t order=1) const

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

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

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

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

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

Private Member Functions
void	calculateDerivative (double out, const double xValues, const size_t nData, const size_t order) const
	Calculate the derivative. More...

void	calculateSpline (double out, const double xValues, const size_t nData) const
	Calculate the spline. More...

void	checkGSLError (const int status, const int errorType) const
	Check if an error occurred and throw appropriate message. More...

bool	checkXInRange (double x) const
	Check if an x value falls within the range of the spline. More...

void	initGSLObjects (boost::scoped_array< double > &x, boost::scoped_array< double > &y, int n) const
	Initialise GSL objects if required. More...

void	reallocGSLObjects (const int n)
	Reallocate the spline object to use n data points. More...

void	setupInput (boost::scoped_array< double > &x, boost::scoped_array< double > &y, int n) const
	Method to setup the gsl function. More...

double	splineEval (const double x) const
	Evaluate a point on the spline, with basic error handling. More...

Private Attributes
std::shared_ptr< gsl_interp_accel >	m_acc
	GSL interpolation accelerator object. More...

struct Mantid::CurveFitting::Functions::CubicSpline::GSLFree	m_gslFree

const int	m_min_points
	Minimum number of data points in spline. More...

bool	m_recalculateSpline
	Flag for checking if the spline needs recalculating. More...

std::shared_ptr< gsl_spline >	m_spline
	GSL data structure used to calculate spline. More...

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

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

Protected Types inherited from Mantid::API::IFunction1D
template<typename FunctionType >
using	Function1DMethod = void(FunctionType::)(double , const double *, const size_t) const

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

bool	hasOrderedTies () const

void	applyOrderedTies ()

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

Protected Member Functions inherited from Mantid::API::IFunction1D
template<typename EvaluationMethod >
void	calcNumericalDerivative1D (Jacobian jacobian, EvaluationMethod func1D, const double xValues, const size_t nData)
	Calculate a numerical derivative for the 1D data. More...

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

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

Protected 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...

Static Protected Attributes inherited from Mantid::API::IFunction1D
static Kernel::Logger	g_log
	Logger instance. More...

Detailed Description

A wrapper around GSL functions implementing cubic spline interpolation.

This function can also calculate derivatives up to order 2 as a by product of the spline.

Author: Samuel Jackson, STFC

Date: 05/07/2013

Definition at line 31 of file CubicSpline.h.

Constructor & Destructor Documentation

◆ CubicSpline()

Mantid::CurveFitting::Functions::CubicSpline::CubicSpline ( )

Constructor.

Definition at line 36 of file CubicSpline.cpp.

Member Function Documentation

◆ calculateDerivative()

void Mantid::CurveFitting::Functions::CubicSpline::calculateDerivative	(	double *	out,
		const double *	xValues,
		const size_t	nData,
		const size_t	order
	)		const

private

Calculate the derivative.

Calculate the derivatives of each of the supplied points.

Parameters

out	:: The array to store the calculated derivatives
xValues	:: The array of x values we wish to calculate derivatives at
nData	:: The size of the arrays
order	:: The order of derivatives to calculate too

Definition at line 199 of file CubicSpline.cpp.

References checkGSLError(), checkXInRange(), Mantid::API::g_log, Mantid::Kernel::Logger::information(), m_acc, and m_spline.

Referenced by derivative1D().

◆ calculateSpline()

void Mantid::CurveFitting::Functions::CubicSpline::calculateSpline	(	double *	out,
		const double *	xValues,
		const size_t	nData
	)		const

private

Calculate the spline.

Calculate the values on the spline at each point supplied.

Parameters

out	:: The array to store the calculated values
xValues	:: The array of x values we wish to interpolate
nData	:: The size of the arrays

Definition at line 152 of file CubicSpline.cpp.

References checkXInRange(), Mantid::API::g_log, Mantid::Kernel::Logger::information(), m_spline, and splineEval().

Referenced by function1D().

◆ category()

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

inlineoverridevirtual

overwrite IFunction base class methods

Reimplemented from Mantid::CurveFitting::Functions::BackgroundFunction.

Definition at line 39 of file CubicSpline.h.

◆ checkGSLError()

void Mantid::CurveFitting::Functions::CubicSpline::checkGSLError	(	const int	status,
		const int	errorType
	)		const

private

Check if an error occurred and throw appropriate message.

Checks if a call to a GSL function produced a given error or not and throw an appropriate message.

Parameters

status	:: The status returned for the GSL function call
errorType	:: The type of GSL error to check for

Definition at line 320 of file CubicSpline.cpp.

References m_recalculateSpline.

Referenced by calculateDerivative(), initGSLObjects(), and splineEval().

◆ checkXInRange()

bool Mantid::CurveFitting::Functions::CubicSpline::checkXInRange ( double x ) const

private

Check if an x value falls within the range of the spline.

Check if the supplied x value falls within the range of the spline.

Parameters

x	:: The x value to check

Returns: Whether the value falls within the range of the spline

Definition at line 144 of file CubicSpline.cpp.

References m_spline, and Mantid::Geometry::x.

Referenced by calculateDerivative(), and calculateSpline().

◆ derivative1D()

void Mantid::CurveFitting::Functions::CubicSpline::derivative1D	(	double *	out,
		const double *	xValues,
		size_t	nData,
		const size_t	order
	)		const

overridevirtual

Calculate the derivatives for a set of points on the spline.

Parameters

out	:: The array to store the derivatives in
xValues	:: The array of x values we wish to know the derivatives of
nData	:: The size of the arrays
order	:: The order of the derivatives o calculate

Reimplemented from Mantid::API::IFunction1D.

Definition at line 127 of file CubicSpline.cpp.

References Mantid::API::IFunction::Attribute::asInt(), calculateDerivative(), Mantid::API::IFunction::getAttribute(), m_recalculateSpline, n, setupInput(), Mantid::Geometry::x, and Mantid::Geometry::y.

◆ function1D()

void Mantid::CurveFitting::Functions::CubicSpline::function1D	(	double *	out,
		const double *	xValues,
		const size_t	nData
	)		const

overridevirtual

Execute the function.

Parameters

out	:: The array to store the calculated y values
xValues	:: The array of x values to interpolate
nData	:: The size of the arrays

Implements Mantid::API::IFunction1D.

Definition at line 58 of file CubicSpline.cpp.

References Mantid::API::IFunction::Attribute::asInt(), calculateSpline(), Mantid::API::IFunction::getAttribute(), m_recalculateSpline, n, setupInput(), Mantid::Geometry::x, and Mantid::Geometry::y.

◆ initGSLObjects()

void Mantid::CurveFitting::Functions::CubicSpline::initGSLObjects	(	boost::scoped_array< double > &	x,
		boost::scoped_array< double > &	y,
		int	n
	)		const

private

Initialise GSL objects if required.

Initilize the GSL spline with the given points.

Parameters

x	:: The x points defining the spline
y	:: The y points defining the spline
n	:: The size of the arrays

Definition at line 338 of file CubicSpline.cpp.

References checkGSLError(), m_spline, n, Mantid::Geometry::x, and Mantid::Geometry::y.

Referenced by setupInput().

◆ name()

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

inlineoverridevirtual

overwrite IFunction base class methods

Implements Mantid::API::IFunction.

Definition at line 38 of file CubicSpline.h.

◆ reallocGSLObjects()

void Mantid::CurveFitting::Functions::CubicSpline::reallocGSLObjects ( const int n )

private

Reallocate the spline object to use n data points.

Reallocate the size of the GSL objects.

Parameters

n	:: The new size of the spline object

Definition at line 347 of file CubicSpline.cpp.

References m_acc, m_gslFree, m_spline, and n.

Referenced by setAttribute().

◆ setAttribute()

void Mantid::CurveFitting::Functions::CubicSpline::setAttribute	(	const std::string &	attName,
		const Attribute &	att
	)

overridevirtual

Set a value to attribute attName.

Set an attribute for the function.

Parameters

attName	:: The name of the attribute to set
att	:: The attribute to set

Reimplemented from Mantid::API::IFunction.

Definition at line 257 of file CubicSpline.cpp.

References Mantid::API::IFunction::Attribute::asDouble(), Mantid::API::IFunction::Attribute::asInt(), Mantid::API::IFunction::declareAttribute(), Mantid::API::ParamFunction::declareParameter(), Mantid::API::IFunction::getAttribute(), m_recalculateSpline, n, reallocGSLObjects(), Mantid::API::IFunction::storeAttributeValue(), and std::to_string().

◆ setParameter() [1/3]

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

overridevirtual

Set parameter by name.

Sets a new value to a parameter by name.

Parameters

name	:: The name of the parameter.
value	:: The new value
explicitlySet	:: A boolean flagging the parameter as explicitly set (by user)

Reimplemented from Mantid::API::ParamFunction.

Definition at line 45 of file ParamFunction.cpp.

◆ setParameter() [2/3]

void Mantid::CurveFitting::Functions::CubicSpline::setParameter	(	size_t	i,
		const double &	value,
		bool	explicitlySet = `true`
	)

overridevirtual

Set a parameter for the function and flags the spline for re-calculation.

Parameters

i	:: index of parameter
value	:: value of parameter
explicitlySet	:: whether it's value was explicitly set or not

Reimplemented from Mantid::API::ParamFunction.

Definition at line 244 of file CubicSpline.cpp.

References m_recalculateSpline, Mantid::API::ParamFunction::setParameter(), and value.

◆ setParameter() [3/3]

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

overridevirtual

Set i-th parameter.

Sets a new value to the i-th parameter.

Parameters

i	:: The parameter index
value	:: The new value
explicitlySet	:: A boolean falgging the parameter as explicitly set (by user)

Reimplemented from Mantid::API::ParamFunction.

Definition at line 39 of file ParamFunction.cpp.

◆ setupInput()

void Mantid::CurveFitting::Functions::CubicSpline::setupInput	(	boost::scoped_array< double > &	x,
		boost::scoped_array< double > &	y,
		int	n
	)		const

private

Method to setup the gsl function.

Sets up the spline object by with the parameters and attributes.

Parameters

x	:: The array of x values defining the spline
y	:: The array of y values defining the spline
n	:: The size of the arrays

Definition at line 78 of file CubicSpline.cpp.

References Mantid::API::IFunction::Attribute::asDouble(), Mantid::API::g_log, Mantid::API::IFunction::getAttribute(), Mantid::API::ParamFunction::getParameter(), initGSLObjects(), m_recalculateSpline, n, std::to_string(), Mantid::Kernel::Logger::warning(), Mantid::Geometry::x, and Mantid::Geometry::y.

Referenced by derivative1D(), and function1D().

◆ setXAttribute()

void Mantid::CurveFitting::Functions::CubicSpline::setXAttribute	(	const size_t	index,
		double	x
	)

Set the value of a data point location to x.

Set an x attribute for the spline.

Parameters

index	:: index of x attribute to set
x	:: The value of the x attribute

Definition at line 299 of file CubicSpline.cpp.

References Mantid::API::IFunction::Attribute::asInt(), Mantid::API::IFunction::getAttribute(), index, m_recalculateSpline, n, Mantid::API::IFunction::setAttributeValue(), std::to_string(), and Mantid::Geometry::x.

◆ splineEval()

double Mantid::CurveFitting::Functions::CubicSpline::splineEval ( const double x ) const

private

Evaluate a point on the spline, with basic error handling.

Evaluate a point on the spline.

Includes basic error handling

Parameters

x	:: Point to evaluate

Returns: :: the value of the spline at the given point

Definition at line 181 of file CubicSpline.cpp.

References checkGSLError(), m_acc, m_spline, Mantid::Geometry::x, and Mantid::Geometry::y.

Referenced by calculateSpline().

Member Data Documentation

◆ m_acc

std::shared_ptr<gsl_interp_accel> Mantid::CurveFitting::Functions::CubicSpline::m_acc

private

GSL interpolation accelerator object.

Definition at line 62 of file CubicSpline.h.

Referenced by calculateDerivative(), reallocGSLObjects(), and splineEval().

◆ m_gslFree

struct Mantid::CurveFitting::Functions::CubicSpline::GSLFree Mantid::CurveFitting::Functions::CubicSpline::m_gslFree

private

Referenced by reallocGSLObjects().

◆ m_min_points

const int Mantid::CurveFitting::Functions::CubicSpline::m_min_points

private

Minimum number of data points in spline.

Definition at line 53 of file CubicSpline.h.

◆ m_recalculateSpline

bool Mantid::CurveFitting::Functions::CubicSpline::m_recalculateSpline

mutableprivate

Flag for checking if the spline needs recalculating.

Definition at line 68 of file CubicSpline.h.

Referenced by checkGSLError(), derivative1D(), function1D(), setAttribute(), setParameter(), setupInput(), and setXAttribute().

◆ m_spline

std::shared_ptr<gsl_spline> Mantid::CurveFitting::Functions::CubicSpline::m_spline

private

GSL data structure used to calculate spline.

Definition at line 65 of file CubicSpline.h.

Referenced by calculateDerivative(), calculateSpline(), checkXInRange(), initGSLObjects(), reallocGSLObjects(), and splineEval().

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

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

Classes

Public Member Functions

Private Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ CubicSpline()

Member Function Documentation

◆ calculateDerivative()

◆ calculateSpline()

◆ category()

◆ checkGSLError()

◆ checkXInRange()

◆ derivative1D()

◆ function1D()

◆ initGSLObjects()

◆ name()

◆ reallocGSLObjects()

◆ setAttribute()

◆ setParameter() [1/3]

◆ setParameter() [2/3]

◆ setParameter() [3/3]

◆ setupInput()

◆ setXAttribute()

◆ splineEval()

Member Data Documentation

◆ m_acc

◆ m_gslFree

◆ m_min_points

◆ m_recalculateSpline

◆ m_spline