A base class for domain creators taking 1D data from a spectrum of a matrix workspace. More...

#include <IMWDomainCreator.h>

Inheritance diagram for Mantid::CurveFitting::IMWDomainCreator:

Public Member Functions
std::shared_ptr< API::Workspace >	createOutputWorkspace (const std::string &baseName, API::IFunction_sptr function, std::shared_ptr< API::FunctionDomain > domain, std::shared_ptr< API::FunctionValues > values, const std::string &outputWorkspacePropertyName) override
	Create an output workspace. More...

void	declareDatasetProperties (const std::string &suffix="", bool addProp=true) override
	Declare properties that specify the dataset within the workspace to fit to. More...

size_t	getDomainSize () const override
	Return the size of the domain to be created. More...

	IMWDomainCreator (Kernel::IPropertyManager *fit, const std::string &workspacePropertyName, DomainType domainType=Simple)
	Constructor. More...

void	initFunction (API::IFunction_sptr function) override
	Initialize the function. More...

void	setRange (double startX, double endX)
	Set the startX and endX. More...

void	setWorkspace (std::shared_ptr< API::MatrixWorkspace > ws)
	Set the workspace. More...

void	setWorkspaceIndex (size_t wi)
	Set the workspace index. More...

Public Member Functions inherited from Mantid::API::IDomainCreator
virtual void	createDomain (std::shared_ptr< API::FunctionDomain > &domain, std::shared_ptr< API::FunctionValues > &values, size_t i0=0)=0
	Create a domain and values from the input workspace. More...

virtual std::shared_ptr< API::Workspace >	createOutputWorkspace (const std::string &baseName, API::IFunction_sptr function, std::shared_ptr< API::FunctionDomain > domain, std::shared_ptr< API::FunctionValues > values, const std::string &outputWorkspacePropertyName="OutputWorkspace")
	Create an output workspace filled with data simulated with the fitting function. More...

virtual void	declareDatasetProperties (const std::string &suffix="", bool addProp=true)
	Declare properties that specify the dataset within the workspace to fit to. More...

virtual size_t	getDomainSize () const =0
	Return the size of the domain to be created. More...

	IDomainCreator (Kernel::IPropertyManager *manager, std::vector< std::string > workspacePropertyNames, DomainType domainType=Simple)
	Constrcutor. More...

void	ignoreInvalidData (bool yes)
	Set to ignore invalid data. More...

virtual void	initFunction (API::IFunction_sptr function)
	Initialize the function. More...

virtual void	initialize (Kernel::IPropertyManager *, const std::string &, DomainType)
	Initialize. More...

void	separateCompositeMembersInOutput (const bool value, const bool conv=false)
	Toggle output of either just composite or composite + members. More...

virtual	~IDomainCreator ()=default
	Virtual destructor. More...

Protected Member Functions
void	addFunctionValuesToWS (const API::IFunction_sptr &function, std::shared_ptr< API::MatrixWorkspace > &ws, const size_t wsIndex, const std::shared_ptr< API::FunctionDomain > &domain, const std::shared_ptr< API::FunctionValues > &resultValues) const
	Add the calculated function values to the workspace. More...

void	appendCompositeFunctionMembers (std::list< API::IFunction_sptr > &functionList, const API::IFunction_sptr &function) const

void	appendConvolvedCompositeFunctionMembers (std::list< API::IFunction_sptr > &functionList, const API::IFunction_sptr &function) const
	If the fit function is Convolution and flag m_convolutionCompositeMembers is set and Convolution's second function (the model) is composite then use members of the model for the output. More...

std::shared_ptr< API::MatrixWorkspace >	createEmptyResultWS (const size_t nhistograms, const size_t nyvalues)
	Creates the blank output workspace of the correct size. More...

std::pair< size_t, size_t >	getXInterval () const
	Calculate size and starting iterator in the X array. More...

void	setInitialValues (API::IFunction &function)
	Set initial values for parameters with default values. More...

virtual void	setParameters () const
	Set all parameters. More...

Protected Member Functions inherited from Mantid::API::IDomainCreator
void	declareProperty (Kernel::Property *prop, const std::string &doc)
	Declare a property to the algorithm. More...

Protected Attributes
std::weak_ptr< API::FunctionDomain1D >	m_domain
	Store the created domain and values. More...

double	m_endX
	endX More...

std::string	m_endXPropertyName
	Store endX property name. More...

std::shared_ptr< API::MatrixWorkspace >	m_matrixWorkspace
	The input MareixWorkspace. More...

size_t	m_startIndex

double	m_startX
	startX More...

std::string	m_startXPropertyName
	Store startX property name. More...

std::weak_ptr< API::FunctionValues >	m_values

size_t	m_workspaceIndex
	The workspace index. More...

std::string	m_workspaceIndexPropertyName
	Store workspace index property name. More...

std::string	m_workspacePropertyName
	Store workspace property name. More...

Protected Attributes inherited from Mantid::API::IDomainCreator
bool	m_convolutionCompositeMembers
	Perform convolution of output composite components. More...

DomainType	m_domainType
	Domain type. More...

bool	m_ignoreInvalidData
	Flag to ignore nans, infinities and zero errors. More...

Kernel::IPropertyManager *	m_manager
	Pointer to a property manager. More...

bool	m_outputCompositeMembers
	Output separate composite function values. More...

std::vector< std::string >	m_workspacePropertyNames
	Property names for workspaces to get the data from. More...

Additional Inherited Members
Public Types inherited from Mantid::API::IDomainCreator
enum	DomainType { Simple = 0 , Sequential , Parallel }
	Type of domain to create. More...

Detailed Description

A base class for domain creators taking 1D data from a spectrum of a matrix workspace.

Definition at line 34 of file IMWDomainCreator.h.

Constructor & Destructor Documentation

◆ IMWDomainCreator()

Mantid::CurveFitting::IMWDomainCreator::IMWDomainCreator	(	Kernel::IPropertyManager *	fit,
		const std::string &	workspacePropertyName,
		IMWDomainCreator::DomainType	domainType = `Simple`
	)

Constructor.

Parameters

fit	:: Property manager with properties defining the domain to be created
workspacePropertyName	:: Name of the workspace property.
domainType	:: Type of the domain: Simple, Sequential, or Parallel.

Definition at line 50 of file IMWDomainCreator.cpp.

References m_workspacePropertyName, and Mantid::API::IDomainCreator::m_workspacePropertyNames.

Member Function Documentation

◆ addFunctionValuesToWS()

void Mantid::CurveFitting::IMWDomainCreator::addFunctionValuesToWS	(	const API::IFunction_sptr &	function,
		std::shared_ptr< API::MatrixWorkspace > &	ws,
		const size_t	wsIndex,
		const std::shared_ptr< API::FunctionDomain > &	domain,
		const std::shared_ptr< API::FunctionValues > &	resultValues
	)		const

protected

Add the calculated function values to the workspace.

Estimate an error for each calculated value.

Parameters

function	The function to evaluate
ws	A workspace to fill
wsIndex	The index to store the values
domain	The domain to calculate the values over
resultValues	A presized values holder for the results

Definition at line 379 of file IMWDomainCreator.cpp.

References Mantid::Geometry::d, Mantid::API::Jacobian::get(), sigma, and tmp.

Referenced by createOutputWorkspace().

◆ appendCompositeFunctionMembers()

void Mantid::CurveFitting::IMWDomainCreator::appendCompositeFunctionMembers	(	std::list< API::IFunction_sptr > &	functionList,
		const API::IFunction_sptr &	function
	)		const

protected

Parameters

functionList	The current list of functions to append to
function	A function that may or not be composite

Definition at line 314 of file IMWDomainCreator.cpp.

References appendCompositeFunctionMembers(), appendConvolvedCompositeFunctionMembers(), and Mantid::API::IDomainCreator::m_convolutionCompositeMembers.

Referenced by appendCompositeFunctionMembers(), and createOutputWorkspace().

◆ appendConvolvedCompositeFunctionMembers()

void Mantid::CurveFitting::IMWDomainCreator::appendConvolvedCompositeFunctionMembers	(	std::list< API::IFunction_sptr > &	functionList,
		const API::IFunction_sptr &	function
	)		const

protected

If the fit function is Convolution and flag m_convolutionCompositeMembers is set and Convolution's second function (the model) is composite then use members of the model for the output.

Parameters

functionList	:: A list of Convolutions constructed from the resolution of the fitting function (index 0) and members of the model.
function	A Convolution function which model may or may not be a composite function.

Returns: True if all conditions are fulfilled and it is possible to produce the output.

Definition at line 350 of file IMWDomainCreator.cpp.

Referenced by appendCompositeFunctionMembers().

◆ createEmptyResultWS()

API::MatrixWorkspace_sptr Mantid::CurveFitting::IMWDomainCreator::createEmptyResultWS	(	const size_t	nhistograms,
		const size_t	nyvalues
	)

protected

Creates the blank output workspace of the correct size.

Creates a workspace to hold the results.

If the input workspace contains histogram data then so will this It assigns the X and input data values but no Y,E data for any functions

Parameters

nhistograms	The number of histograms
nyvalues	The number of y values to hold

Definition at line 197 of file IMWDomainCreator.cpp.

References Mantid::Kernel::SingletonHolder< T >::Instance(), m_matrixWorkspace, m_startIndex, and m_workspaceIndex.

Referenced by createOutputWorkspace().

◆ createOutputWorkspace()

std::shared_ptr< API::Workspace > Mantid::CurveFitting::IMWDomainCreator::createOutputWorkspace	(	const std::string &	baseName,
		API::IFunction_sptr	function,
		std::shared_ptr< API::FunctionDomain >	domain,
		std::shared_ptr< API::FunctionValues >	values,
		const std::string &	outputWorkspacePropertyName
	)

overridevirtual

Create an output workspace.

Create an output workspace with the calculated values.

Parameters

baseName	:: Specifies the name of the output workspace
function	:: A Pointer to the fitting function
domain	:: The domain containing x-values for the function
values	:: A API::FunctionValues instance containing the fitting data
outputWorkspacePropertyName	:: The property name

Reimplemented from Mantid::API::IDomainCreator.

Definition at line 244 of file IMWDomainCreator.cpp.

References addFunctionValuesToWS(), appendCompositeFunctionMembers(), createEmptyResultWS(), Mantid::API::IDomainCreator::declareProperty(), Mantid::API::IDomainCreator::m_manager, m_matrixWorkspace, Mantid::API::IDomainCreator::m_outputCompositeMembers, Mantid::Kernel::Direction::Output, Mantid::API::TextAxis::setLabel(), Mantid::Kernel::IPropertyManager::setProperty(), and Mantid::Kernel::IPropertyManager::setPropertyValue().

Referenced by Mantid::CurveFitting::FitMW::createOutputWorkspace(), and Mantid::CurveFitting::HistogramDomainCreator::createOutputWorkspace().

◆ declareDatasetProperties()

void Mantid::CurveFitting::IMWDomainCreator::declareDatasetProperties	(	const std::string &	suffix = `""`,
		bool	addProp = `true`
	)

overridevirtual

Declare properties that specify the dataset within the workspace to fit to.

Parameters

suffix	:: names the dataset
addProp	:: allows for the declaration of certain properties of the dataset

Reimplemented from Mantid::API::IDomainCreator.

Definition at line 87 of file IMWDomainCreator.cpp.

References Mantid::API::IDomainCreator::declareProperty(), Mantid::EMPTY_DBL(), Mantid::Kernel::IPropertyManager::existsProperty(), m_endXPropertyName, Mantid::API::IDomainCreator::m_manager, m_startXPropertyName, and m_workspaceIndexPropertyName.

Referenced by Mantid::CurveFitting::FitMW::declareDatasetProperties().

◆ getDomainSize()

size_t Mantid::CurveFitting::IMWDomainCreator::getDomainSize ( ) const

overridevirtual

Return the size of the domain to be created.

Implements Mantid::API::IDomainCreator.

Definition at line 169 of file IMWDomainCreator.cpp.

References getXInterval(), and setParameters().

◆ getXInterval()

std::pair< size_t, size_t > Mantid::CurveFitting::IMWDomainCreator::getXInterval ( ) const

protected

Calculate size and starting iterator in the X array.

Returns: :: A pair of start iterator and size of the data.

Definition at line 112 of file IMWDomainCreator.cpp.

References Mantid::EMPTY_DBL(), m_endX, m_matrixWorkspace, m_startX, m_workspaceIndex, setParameters(), and Mantid::Geometry::X.

Referenced by Mantid::CurveFitting::FitMW::createDomain(), Mantid::CurveFitting::HistogramDomainCreator::createDomain(), and getDomainSize().

◆ initFunction()

void Mantid::CurveFitting::IMWDomainCreator::initFunction ( API::IFunction_sptr function )

overridevirtual

Initialize the function.

Initialize the function with the workspace.

Parameters

function :: Function to initialize.

Reimplemented from Mantid::API::IDomainCreator.

Definition at line 180 of file IMWDomainCreator.cpp.

References m_endX, m_matrixWorkspace, m_startX, m_workspaceIndex, setInitialValues(), and setParameters().

◆ setInitialValues()

void Mantid::CurveFitting::IMWDomainCreator::setInitialValues ( API::IFunction & function )

protected

Set initial values for parameters with default values.

Parameters

function : A function to set parameters for.

Definition at line 228 of file IMWDomainCreator.cpp.

References Mantid::CurveFitting::ParameterEstimator::estimate(), m_domain, and m_values.

Referenced by initFunction().

◆ setParameters()

void Mantid::CurveFitting::IMWDomainCreator::setParameters ( ) const

protectedvirtual

Set all parameters.

Reimplemented in Mantid::CurveFitting::FitMW.

Definition at line 63 of file IMWDomainCreator.cpp.

References Mantid::Kernel::IPropertyManager::getProperty(), index, m_endX, m_endXPropertyName, Mantid::API::IDomainCreator::m_manager, m_matrixWorkspace, m_startX, m_startXPropertyName, m_workspaceIndex, m_workspaceIndexPropertyName, and m_workspacePropertyName.

Referenced by Mantid::CurveFitting::HistogramDomainCreator::createDomain(), getDomainSize(), getXInterval(), initFunction(), and Mantid::CurveFitting::FitMW::setParameters().

◆ setRange()

void Mantid::CurveFitting::IMWDomainCreator::setRange	(	double	startX,
		double	endX
	)

inline

Set the startX and endX.

Parameters

startX	:: Start of the domain
endX	:: End of the domain

Definition at line 60 of file IMWDomainCreator.h.

◆ setWorkspace()

void Mantid::CurveFitting::IMWDomainCreator::setWorkspace ( std::shared_ptr< API::MatrixWorkspace > ws )

inline

Set the workspace.

Parameters

ws	:: workspace to set.

Definition at line 53 of file IMWDomainCreator.h.

Referenced by Mantid::CurveFitting::FitMW::createDomain().

◆ setWorkspaceIndex()

void Mantid::CurveFitting::IMWDomainCreator::setWorkspaceIndex ( size_t wi )

inline

Set the workspace index.

Parameters

wi	:: workspace index to set.

Definition at line 56 of file IMWDomainCreator.h.

Member Data Documentation

◆ m_domain

std::weak_ptr<API::FunctionDomain1D> Mantid::CurveFitting::IMWDomainCreator::m_domain

mutableprotected

Store the created domain and values.

Definition at line 106 of file IMWDomainCreator.h.

Referenced by Mantid::CurveFitting::FitMW::createDomain(), Mantid::CurveFitting::HistogramDomainCreator::createDomain(), and setInitialValues().

◆ m_endX

double Mantid::CurveFitting::IMWDomainCreator::m_endX

mutableprotected

endX

Definition at line 104 of file IMWDomainCreator.h.

Referenced by getXInterval(), initFunction(), and setParameters().

◆ m_endXPropertyName

std::string Mantid::CurveFitting::IMWDomainCreator::m_endXPropertyName

protected

Store endX property name.

Definition at line 95 of file IMWDomainCreator.h.

Referenced by declareDatasetProperties(), and setParameters().

◆ m_matrixWorkspace

std::shared_ptr<API::MatrixWorkspace> Mantid::CurveFitting::IMWDomainCreator::m_matrixWorkspace

mutableprotected

The input MareixWorkspace.

Definition at line 98 of file IMWDomainCreator.h.

Referenced by Mantid::CurveFitting::FitMW::createDomain(), Mantid::CurveFitting::HistogramDomainCreator::createDomain(), createEmptyResultWS(), Mantid::CurveFitting::FitMW::createOutputWorkspace(), Mantid::CurveFitting::HistogramDomainCreator::createOutputWorkspace(), createOutputWorkspace(), getXInterval(), initFunction(), and setParameters().

◆ m_startIndex

size_t Mantid::CurveFitting::IMWDomainCreator::m_startIndex

protected

Definition at line 108 of file IMWDomainCreator.h.

Referenced by Mantid::CurveFitting::FitMW::createDomain(), Mantid::CurveFitting::HistogramDomainCreator::createDomain(), and createEmptyResultWS().

◆ m_startX

double Mantid::CurveFitting::IMWDomainCreator::m_startX

mutableprotected

startX

Definition at line 102 of file IMWDomainCreator.h.

Referenced by getXInterval(), initFunction(), and setParameters().

◆ m_startXPropertyName

std::string Mantid::CurveFitting::IMWDomainCreator::m_startXPropertyName

protected

Store startX property name.

Definition at line 93 of file IMWDomainCreator.h.

Referenced by declareDatasetProperties(), and setParameters().

◆ m_values

std::weak_ptr<API::FunctionValues> Mantid::CurveFitting::IMWDomainCreator::m_values

mutableprotected

Definition at line 107 of file IMWDomainCreator.h.

Referenced by Mantid::CurveFitting::FitMW::createDomain(), Mantid::CurveFitting::HistogramDomainCreator::createDomain(), and setInitialValues().

◆ m_workspaceIndex

size_t Mantid::CurveFitting::IMWDomainCreator::m_workspaceIndex

mutableprotected

The workspace index.

Definition at line 100 of file IMWDomainCreator.h.

Referenced by Mantid::CurveFitting::FitMW::createDomain(), Mantid::CurveFitting::HistogramDomainCreator::createDomain(), createEmptyResultWS(), getXInterval(), initFunction(), and setParameters().

◆ m_workspaceIndexPropertyName

std::string Mantid::CurveFitting::IMWDomainCreator::m_workspaceIndexPropertyName

protected

Store workspace index property name.

Definition at line 91 of file IMWDomainCreator.h.

Referenced by declareDatasetProperties(), and setParameters().

◆ m_workspacePropertyName

std::string Mantid::CurveFitting::IMWDomainCreator::m_workspacePropertyName

protected

Store workspace property name.

Definition at line 89 of file IMWDomainCreator.h.

Referenced by IMWDomainCreator(), and setParameters().

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

Framework/CurveFitting/inc/MantidCurveFitting/IMWDomainCreator.h
Framework/CurveFitting/src/IMWDomainCreator.cpp

Public Member Functions

Protected Member Functions

Protected Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ IMWDomainCreator()

Member Function Documentation

◆ addFunctionValuesToWS()

◆ appendCompositeFunctionMembers()

◆ appendConvolvedCompositeFunctionMembers()

◆ createEmptyResultWS()

◆ createOutputWorkspace()

◆ declareDatasetProperties()

◆ getDomainSize()

◆ getXInterval()

◆ initFunction()

◆ setInitialValues()

◆ setParameters()

◆ setRange()

◆ setWorkspace()

◆ setWorkspaceIndex()

Member Data Documentation

◆ m_domain

◆ m_endX

◆ m_endXPropertyName

◆ m_matrixWorkspace

◆ m_startIndex

◆ m_startX

◆ m_startXPropertyName

◆ m_values

◆ m_workspaceIndex

◆ m_workspaceIndexPropertyName

◆ m_workspacePropertyName