#include <PseudoVoigt.h>

Inheritance diagram for Mantid::CurveFitting::Functions::PseudoVoigt:

Public Member Functions
const std::string	category () const override
	The categories the Fit function belong to. 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...

double	fwhm () const override
	Returns the peak FWHM. More...

double	height () const override
	calculate effective parameter: height More...

double	intensity () const override
	Returns the integral intensity of the peak. More...

double	intensityError () const override
	Error in the integrated intensity of the peak due to uncertainties in the values of the fit parameters. More...

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

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

void	setFwhm (const double w) override
	set FWHM More...

void	setHeight (const double h) override
	set non-native parameter peak height More...

void	setIntensity (const double newIntensity) override
	Sets the integral intensity of the peak. More...

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

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

Public Member Functions inherited from Mantid::API::IPeakFunction
virtual void	fixIntensity (bool isDefault=false)
	Fix a parameter or set up a tie such that value returned by intensity() is constant during fitting. More...

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

void	function1D (double out, const double xValues, const size_t nData) const override
	General implementation of the method for all peaks. More...

void	functionDeriv1D (Jacobian out, const double xValues, const size_t nData) override
	General implementation of the method for all peaks. More...

virtual void	functionDerivLocal (Jacobian jacobian, const double xValues, const size_t nData)
	Derivative evaluation method. Default is to calculate numerically. More...

virtual void	functionLocal (double out, const double xValues, const size_t nData) const =0
	Function evaluation method to be implemented in the inherited classes. More...

virtual double	fwhm () const =0
	Returns the peak FWHM. More...

std::string	getCentreParameterName () const
	Get name of parameter that is associated to centre. More...

virtual std::pair< double, double >	getDomainInterval (double level=DEFAULT_SEARCH_LEVEL) const
	Get the interval on which the peak has all its values above a certain level. More...

virtual std::string	getWidthParameterName () const
	Get the name of the parameter that is changed when the fwhm is changed. More...

virtual double	intensity () const
	Returns the integral intensity of the peak. More...

virtual double	intensityError () const
	Error in the integrated intensity of the peak due to uncertainties in the values of the fit parameters. More...

	IPeakFunction ()
	Constructor. More...

virtual void	setFwhm (const double w)=0
	Sets the parameters such that FWHM = w. More...

virtual void	setIntensity (const double newIntensity)
	Sets the integral intensity of the peak. More...

void	setParameter (const std::string &name, const double &value, bool explicitlySet=true) override
	Override parent so that we may bust the cache when a parameter is set. More...

void	setParameter (size_t, const double &value, bool explicitlySet=true) override
	Override parent so that we may bust the cache when a parameter is set. More...

virtual void	unfixIntensity ()
	Free the intensity parameter. 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 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	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...

Protected Member Functions
void	functionDerivLocal (API::Jacobian out, const double xValues, const size_t nData) override
	calcualte derivative analytically More...

void	functionLocal (double out, const double xValues, const size_t nData) const override
	calculate pseudo voigt More...

void	init () override
	Declare peak parameters in this order: mixing (eta), intensity (I), peak center (x0) and FWHM (H or gamma) More...

Protected Member Functions inherited from Mantid::API::IPeakFunction
virtual IntegrationResultCache	integrate () 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
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...

Private Member Functions
bool	estimate_parameter_value ()

size_t	get_parameter_to_calculate_from_set ()
	get the parameter (by index) to calculate according to parameter set history More...

void	update_set_history (size_t set_index)
	The purpose of this is to track which user-specified parameter is outdated and to be calculated. More...

Private Attributes
double	m_height

std::vector< size_t >	m_set_history_distances
	historty of the order to be set 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 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

PseudoVoigt.

This peak function provides an implementation of the pseudo-Voigt function, which is an approximation of the Voigt function (convolution of Gaussian and Lorentzian). The function has 4 parameters, height, FWHM, center and a mixing parameter a, which is limited to the interval [0,1].

The function is defined as:

f(x) = a * G(x) + (1.0 - a) * L(x)

with G(x) being the Gaussian and L(x) being the Lorentzian peak function.

This profile function is often used for peaks which are not strictly Gaussian or Lorentzian shaped.

Author: Michael Wedel, Paul Scherrer Institut - SINQ

Date: 03/03/2015

Definition at line 36 of file PseudoVoigt.h.

Member Function Documentation

◆ category()

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

inlineoverridevirtual

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"

Reimplemented from Mantid::API::IFunction.

Definition at line 50 of file PseudoVoigt.h.

◆ centre()

double Mantid::CurveFitting::Functions::PseudoVoigt::centre ( ) const

inlineoverridevirtual

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.

Implements Mantid::API::IFunctionWithLocation.

Definition at line 38 of file PseudoVoigt.h.

◆ estimate_parameter_value()

bool Mantid::CurveFitting::Functions::PseudoVoigt::estimate_parameter_value ( )

private

Definition at line 218 of file PseudoVoigt.cpp.

References Mantid::Kernel::Logger::debug(), Mantid::API::g_log, get_parameter_to_calculate_from_set(), Mantid::API::ParamFunction::getParameter(), intensity(), m_height, and setParameter().

Referenced by setHeight(), and setParameter().

◆ functionDerivLocal()

void Mantid::CurveFitting::Functions::PseudoVoigt::functionDerivLocal	(	API::Jacobian *	out,
		const double *	xValues,
		const size_t	nData
	)

overrideprotectedvirtual

calcualte derivative analytically

Parameters

out	:: array with calculated derivatives
xValues	:: input X array
nData	:: data size

Reimplemented from Mantid::API::IPeakFunction.

Definition at line 131 of file PseudoVoigt.cpp.

References Mantid::API::ParamFunction::getParameter(), and Mantid::API::Jacobian::set().

◆ functionLocal()

void Mantid::CurveFitting::Functions::PseudoVoigt::functionLocal	(	double *	out,
		const double *	xValues,
		const size_t	nData
	)		const

overrideprotectedvirtual

calculate pseudo voigt

Parameters

out	:: array with calculated value
xValues	:: array with input X values
nData	:: size of data

Implements Mantid::API::IPeakFunction.

Definition at line 100 of file PseudoVoigt.cpp.

References fabs, and Mantid::API::ParamFunction::getParameter().

◆ fwhm()

double Mantid::CurveFitting::Functions::PseudoVoigt::fwhm ( ) const

inlineoverridevirtual

Returns the peak FWHM.

Implements Mantid::API::IPeakFunction.

Definition at line 42 of file PseudoVoigt.h.

◆ get_parameter_to_calculate_from_set()

size_t Mantid::CurveFitting::Functions::PseudoVoigt::get_parameter_to_calculate_from_set ( )

private

get the parameter (by index) to calculate according to parameter set history

As a parameter (height, width, intensity and mixing) being set (via setParameter) find out whethere are are enough parameters that have been specified.

PseudoVoigt::get_parameter_to_calculate_from_set

Returns: :: index of the parameter to calculate if there is

Definition at line 303 of file PseudoVoigt.cpp.

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

Referenced by estimate_parameter_value().

◆ height()

double Mantid::CurveFitting::Functions::PseudoVoigt::height ( ) const

overridevirtual

calculate effective parameter: height

Returns

Implements Mantid::API::IFunctionWithLocation.

Definition at line 332 of file PseudoVoigt.cpp.

References Mantid::API::ParamFunction::getParameter(), and height().

Referenced by height().

◆ init()

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

overrideprotectedvirtual

Declare peak parameters in this order: mixing (eta), intensity (I), peak center (x0) and FWHM (H or gamma)

PseudoVoigt::init declare peak parameters

Reimplemented from Mantid::API::IFunction.

Definition at line 72 of file PseudoVoigt.cpp.

◆ intensity()

double Mantid::CurveFitting::Functions::PseudoVoigt::intensity ( ) const

inlineoverridevirtual

Returns the integral intensity of the peak.

Returns the integrated intensity of the peak function, using the peak radius to determine integration borders.

Reimplemented from Mantid::API::IPeakFunction.

Definition at line 39 of file PseudoVoigt.h.

Referenced by estimate_parameter_value().

◆ intensityError()

double Mantid::CurveFitting::Functions::PseudoVoigt::intensityError ( ) const

inlineoverridevirtual

Error in the integrated intensity of the peak due to uncertainties in the values of the fit parameters.

if the peak function contains no fit-parameter uncertainties, then the integration error is set to NaN. Also, this function assumes no correlation between the fit parameters, so that their corresponding errors are summed up in quadrature.

Reimplemented from Mantid::API::IPeakFunction.

Definition at line 40 of file PseudoVoigt.h.

◆ name()

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

inlineoverridevirtual

Returns the function's name.

Implements Mantid::API::IFunction.

Definition at line 49 of file PseudoVoigt.h.

Referenced by setParameter().

◆ setCentre()

void Mantid::CurveFitting::Functions::PseudoVoigt::setCentre ( const double c )

inlineoverridevirtual

Sets the parameters such that centre == c.

Implements Mantid::API::IFunctionWithLocation.

Definition at line 44 of file PseudoVoigt.h.

◆ setFwhm()

void Mantid::CurveFitting::Functions::PseudoVoigt::setFwhm ( const double w )

overridevirtual

set FWHM

Parameters

w

Implements Mantid::API::IPeakFunction.

Definition at line 373 of file PseudoVoigt.cpp.

References setParameter().

◆ setHeight()

void Mantid::CurveFitting::Functions::PseudoVoigt::setHeight ( const double h )

overridevirtual

set non-native parameter peak height

PseudoVoigt::setHeight

Parameters

h

Implements Mantid::API::IFunctionWithLocation.

Definition at line 345 of file PseudoVoigt.cpp.

References Mantid::Kernel::Logger::debug(), estimate_parameter_value(), Mantid::API::g_log, Mantid::API::ParamFunction::getParameter(), m_height, setParameter(), and update_set_history().

◆ setIntensity()

void Mantid::CurveFitting::Functions::PseudoVoigt::setIntensity ( const double newIntensity )

inlineoverridevirtual

Sets the integral intensity of the peak.

Sets the integral intensity of the peak by adjusting the height.

Reimplemented from Mantid::API::IPeakFunction.

Definition at line 47 of file PseudoVoigt.h.

◆ setParameter() [1/2]

void Mantid::CurveFitting::Functions::PseudoVoigt::setParameter	(	const std::string &	name,
		const double &	value,
		bool	explicitlySet = `true`
	)

overridevirtual

set by name

override because setParameter(size_t i ...) is overriden

Reimplemented from Mantid::API::IPeakFunction.

Definition at line 177 of file PseudoVoigt.cpp.

References Mantid::Kernel::Logger::debug(), Mantid::API::g_log, name(), Mantid::API::IPeakFunction::setParameter(), and value.

◆ setParameter() [2/2]

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

overridevirtual

Set i-th parameter.

set parameter by parameter index Parameter set up scenaio:

as both intensity and height are set explicity: calculate mixing and set non-explicitly
as both intensity and height are set but intensity is not set explicitly: do nothing else
if both height and mixing are specified explicitly, then calculate peak intensity Note: both intensity and height Equation among eta, I, H and height: peak_intensity = m_height / 2. / (1 + (sqrt(M_PI * M_LN2) - 1) * eta) * (M_PI * gamma);
Parameters

i :: index (mixing (0), intensity (1), centre (2), fwhm (3)

value :: value

explicitlySet :: whether it is an explicit set. if true, then consider to calculate other parameters

Reimplemented from Mantid::API::IPeakFunction.

Definition at line 199 of file PseudoVoigt.cpp.

References Mantid::Kernel::Logger::debug(), estimate_parameter_value(), Mantid::API::g_log, Mantid::API::IPeakFunction::setParameter(), update_set_history(), and value.

Referenced by estimate_parameter_value(), setFwhm(), and setHeight().

◆ update_set_history()

void Mantid::CurveFitting::Functions::PseudoVoigt::update_set_history ( size_t set_index )

private

The purpose of this is to track which user-specified parameter is outdated and to be calculated.

PseudoVoigt::update_set_history

Parameters

set_index,: 0 mixing, 1 intensity, 2 height, 3 fwhm

Definition at line 274 of file PseudoVoigt.cpp.

References m_set_history_distances.

Referenced by setHeight(), and setParameter().

Member Data Documentation

◆ m_height

double Mantid::CurveFitting::Functions::PseudoVoigt::m_height

private

Definition at line 73 of file PseudoVoigt.h.

Referenced by estimate_parameter_value(), and setHeight().

◆ m_set_history_distances

std::vector<size_t> Mantid::CurveFitting::Functions::PseudoVoigt::m_set_history_distances

private

historty of the order to be set

Definition at line 66 of file PseudoVoigt.h.

Referenced by get_parameter_to_calculate_from_set(), and update_set_history().

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

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

i	:: index (mixing (0), intensity (1), centre (2), fwhm (3)
value	:: value
explicitlySet	:: whether it is an explicit set. if true, then consider to calculate other parameters

Public Member Functions

Protected Member Functions

Private Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Member Function Documentation

◆ category()

◆ centre()

◆ estimate_parameter_value()

◆ functionDerivLocal()

◆ functionLocal()

◆ fwhm()

◆ get_parameter_to_calculate_from_set()

◆ height()

◆ init()

◆ intensity()

◆ intensityError()

◆ name()

◆ setCentre()

◆ setFwhm()

◆ setHeight()

◆ setIntensity()

◆ setParameter() [1/2]

◆ setParameter() [2/2]

◆ update_set_history()

Member Data Documentation

◆ m_height

◆ m_set_history_distances