Creates FunctionDomain1D form a spectrum in a MatrixWorkspace. More...

#include <FitMW.h>

Inheritance diagram for Mantid::CurveFitting::FitMW:

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

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...

	FitMW (DomainType domainType=Simple)
	Constructor. More...

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

void	setMaxSize (size_t maxSize)
	Set max size for Sequantial and Parallel domains. More...

void	setNormalise (bool on)
	Set the normalisation flag. More...

Public Member Functions inherited from Mantid::CurveFitting::IMWDomainCreator
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	setParameters () const override
	Set all parameters. More...

Protected Member Functions inherited from Mantid::CurveFitting::IMWDomainCreator
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...

Private Attributes
std::vector< double >	m_exclude
	Ranges that must be excluded from fit. More...

std::string	m_excludePropertyName
	Store the Exclude property name. More...

size_t	m_maxSize
	Max size for seq domain. More...

std::string	m_maxSizePropertyName
	Store maxSize property name. More...

bool	m_normalise
	Option to normalise the data. More...

std::string	m_normalisePropertyName
	Store Normalise property name. More...

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

Protected Attributes inherited from Mantid::CurveFitting::IMWDomainCreator
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...

Detailed Description

Creates FunctionDomain1D form a spectrum in a MatrixWorkspace.

Declares WorkspaceIndex, StartX, and EndX input properties. Declares OutputWorkspace output property.

Author: Roman Tolchenov, Tessella plc

Date: 06/12/2011

Definition at line 38 of file FitMW.h.

Constructor & Destructor Documentation

◆ FitMW() [1/2]

Mantid::CurveFitting::FitMW::FitMW	(	Kernel::IPropertyManager *	fit,
		const std::string &	workspacePropertyName,
		FitMW::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 123 of file FitMW.cpp.

◆ FitMW() [2/2]

Mantid::CurveFitting::FitMW::FitMW ( FitMW::DomainType domainType = Simple )

Constructor.

Methods setWorkspace, setWorkspaceIndex and setRange must be called set up the creator.

Parameters

domainType :: Type of the domain: Simple, Sequential, or Parallel.

Definition at line 132 of file FitMW.cpp.

Member Function Documentation

◆ createDomain()

void Mantid::CurveFitting::FitMW::createDomain	(	std::shared_ptr< API::FunctionDomain > &	domain,
		std::shared_ptr< API::FunctionValues > &	values,
		size_t	i0 = `0`
	)

overridevirtual

Create a domain from the input workspace.

Implements Mantid::API::IDomainCreator.

Definition at line 194 of file FitMW.cpp.

◆ createOutputWorkspace()

std::shared_ptr< API::Workspace > Mantid::CurveFitting::FitMW::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 315 of file FitMW.cpp.

References Mantid::CurveFitting::IMWDomainCreator::createOutputWorkspace(), Mantid::CurveFitting::IMWDomainCreator::m_matrixWorkspace, m_normalise, Mantid::Geometry::X, and Mantid::Geometry::Y.

◆ declareDatasetProperties()

void Mantid::CurveFitting::FitMW::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 166 of file FitMW.cpp.

References Mantid::CurveFitting::IMWDomainCreator::declareDatasetProperties(), Mantid::API::IDomainCreator::declareProperty(), Mantid::Kernel::IPropertyManager::existsProperty(), Mantid::API::IDomainCreator::m_domainType, m_excludePropertyName, Mantid::API::IDomainCreator::m_manager, m_maxSizePropertyName, m_normalisePropertyName, and Mantid::API::IDomainCreator::Simple.

◆ setMaxSize()

void Mantid::CurveFitting::FitMW::setMaxSize ( size_t maxSize )

inline

Set max size for Sequantial and Parallel domains.

Parameters

maxSize :: Maximum size of each simple domain

Definition at line 57 of file FitMW.h.

◆ setNormalise()

void Mantid::CurveFitting::FitMW::setNormalise ( bool on )

inline

Set the normalisation flag.

Parameters

on	:: If true and the spectrum is a histogram the fitting data will be normalised by the bin width.

Definition at line 62 of file FitMW.h.

◆ setParameters()

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

overrideprotectedvirtual

Set all parameters.

Exceptions

std::runtime_error if the Exclude property has an odd number of entries.

Reimplemented from Mantid::CurveFitting::IMWDomainCreator.

Definition at line 140 of file FitMW.cpp.

References Mantid::Kernel::IPropertyManager::getProperty(), Mantid::API::IDomainCreator::m_domainType, m_exclude, m_excludePropertyName, Mantid::API::IDomainCreator::m_manager, m_maxSize, m_maxSizePropertyName, m_normalise, m_normalisePropertyName, Mantid::CurveFitting::IMWDomainCreator::setParameters(), and Mantid::API::IDomainCreator::Simple.

Referenced by createDomain().

Member Data Documentation

◆ m_exclude

std::vector<double> Mantid::CurveFitting::FitMW::m_exclude

mutableprivate

Ranges that must be excluded from fit.

Definition at line 81 of file FitMW.h.

Referenced by createDomain(), and setParameters().

◆ m_excludePropertyName

std::string Mantid::CurveFitting::FitMW::m_excludePropertyName

private

Store the Exclude property name.

Definition at line 74 of file FitMW.h.

Referenced by declareDatasetProperties(), and setParameters().

◆ m_maxSize

size_t Mantid::CurveFitting::FitMW::m_maxSize

mutableprivate

Max size for seq domain.

Definition at line 77 of file FitMW.h.

Referenced by createDomain(), and setParameters().

◆ m_maxSizePropertyName

std::string Mantid::CurveFitting::FitMW::m_maxSizePropertyName

private

Store maxSize property name.

Definition at line 70 of file FitMW.h.

Referenced by declareDatasetProperties(), and setParameters().

◆ m_normalise

bool Mantid::CurveFitting::FitMW::m_normalise

mutableprivate

Option to normalise the data.

Definition at line 79 of file FitMW.h.

Referenced by createDomain(), createOutputWorkspace(), and setParameters().

◆ m_normalisePropertyName

std::string Mantid::CurveFitting::FitMW::m_normalisePropertyName

private

Store Normalise property name.

Definition at line 72 of file FitMW.h.

Referenced by declareDatasetProperties(), and setParameters().

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

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

Public Member Functions

Protected Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ FitMW() [1/2]

◆ FitMW() [2/2]

Member Function Documentation

◆ createDomain()

◆ createOutputWorkspace()

◆ declareDatasetProperties()

◆ setMaxSize()

◆ setNormalise()

◆ setParameters()

Member Data Documentation

◆ m_exclude

◆ m_excludePropertyName

◆ m_maxSize

◆ m_maxSizePropertyName

◆ m_normalise

◆ m_normalisePropertyName