QENSFitSequential - Performs a sequential QENS fit. More...

#include <QENSFitSequential.h>

Inheritance diagram for Mantid::CurveFitting::Algorithms::QENSFitSequential:

Public Member Functions
const std::string	category () const override
	Algorithm's category for identification. More...

const std::string	name () const override
	Algorithms name for identification. More...

const std::vector< std::string >	seeAlso () const override
	Algorithm's see also for related algorithms. More...

const std::string	summary () const override
	Algorithm's summary for use in the GUI and help. More...

int	version () const override
	Algorithm's version for identification. More...

Public Member Functions inherited from Mantid::API::GenericDataProcessorAlgorithm< Base >
	GenericDataProcessorAlgorithm ()
	Constructor. More...

Kernel::IPropertyManager::TypedValue	getProperty (const std::string &name) const override
	Get the property held by this object. More...

std::string	getPropertyValue (const std::string &name) const override
	Get the property held by this object. More...

Protected Member Functions
virtual std::map< std::string, std::string >	getAdditionalLogNumbers () const

virtual std::map< std::string, std::string >	getAdditionalLogStrings () const

virtual std::vector< std::string >	getFitParameterNames () const

virtual std::vector< API::MatrixWorkspace_sptr >	getWorkspaces () const

virtual API::ITableWorkspace_sptr	processParameterTable (API::ITableWorkspace_sptr parameterTable)

std::map< std::string, std::string >	validateInputs () override

Protected Member Functions inherited from Mantid::API::GenericDataProcessorAlgorithm< Base >
Workspace_sptr	assemble (const std::string &partialWSName, const std::string &outputWSName)
	Assemble the partial workspaces from all MPI processes. More...

Workspace_sptr	assemble (Workspace_sptr partialWS)
	Assemble the partial workspaces from all MPI processes. More...

void	copyProperty (const API::Algorithm_sptr &alg, const std::string &name)
	Copy a property from an existing algorithm. More...

std::shared_ptr< Algorithm >	createChildAlgorithm (const std::string &name, const double startProgress=-1., const double endProgress=-1., const bool enableLogging=true, const int &version=-1) override
	Create a Child Algorithm. More...

virtual ITableWorkspace_sptr	determineChunk (const std::string &filename)

MatrixWorkspace_sptr	divide (const MatrixWorkspace_sptr lhs, const double &rhsValue)
	Divide a matrix workspace by a single value. More...

MatrixWorkspace_sptr	divide (const MatrixWorkspace_sptr lhs, const MatrixWorkspace_sptr rhs)
	Divide a matrix workspace by another matrix workspace. More...

void	forwardProperties ()

int	getNThreads ()
	Return the number of MPI processes running. More...

std::shared_ptr< Kernel::PropertyManager >	getProcessProperties (const std::string &propertyManager=std::string()) const
	Get the property manager object of a given name from the property manager data service, or create a new one. More...

bool	isMainThread ()
	Return true if we are running on the main thread. More...

Workspace_sptr	load (const std::string &inputData, const bool loadQuiet=false)
	Determine what kind of input data we have and load it. More...

virtual MatrixWorkspace_sptr	loadChunk (const size_t rowIndex)

void	mapPropertyName (const std::string &nameInProp, const std::string &nameInPropManager)
	Declare mapping of property name to name in the PropertyManager. More...

MatrixWorkspace_sptr	minus (const MatrixWorkspace_sptr lhs, const double &rhsValue)
	Subract a single value from a matrix workspace. More...

MatrixWorkspace_sptr	minus (const MatrixWorkspace_sptr lhs, const MatrixWorkspace_sptr rhs)
	Subract a matrix workspace by another matrix workspace. More...

MatrixWorkspace_sptr	multiply (const MatrixWorkspace_sptr lhs, const double &rhsValue)
	Multiply a matrix workspace by a single value. More...

MatrixWorkspace_sptr	multiply (const MatrixWorkspace_sptr lhs, const MatrixWorkspace_sptr rhs)
	Multiply a matrix workspace by another matrix workspace. More...

MatrixWorkspace_sptr	plus (const MatrixWorkspace_sptr lhs, const double &rhsValue)
	Add a single value to a matrix workspace. More...

MatrixWorkspace_sptr	plus (const MatrixWorkspace_sptr lhs, const MatrixWorkspace_sptr rhs)
	Add a matrix workspace to another matrix workspace. More...

void	saveNexus (const std::string &outputWSName, const std::string &outputFile)
	Save a workspace as a nexus file, with check for which thread we are executing in. More...

void	setAccumAlg (const std::string &alg)

void	setLoadAlg (const std::string &alg)

void	setLoadAlgFileProp (const std::string &filePropName)

void	setPropManagerPropName (const std::string &propName)

std::vector< std::string >	splitInput (const std::string &input)

Private Member Functions
void	addAdditionalLogs (const API::Workspace_sptr &result)

void	addAdditionalLogs (const API::WorkspaceGroup_sptr &resultWorkspace)

void	addFitRangeLogs (const API::Workspace_sptr &resultWorkspace, size_t itter)

std::vector< API::MatrixWorkspace_sptr >	convertInputToElasticQ (const std::vector< API::MatrixWorkspace_sptr > &workspaces) const

void	copyLogs (const API::MatrixWorkspace_sptr &resultWorkspace, const API::Workspace_sptr &resultGroup)

void	copyLogs (const API::MatrixWorkspace_sptr &resultWorkspace, const API::WorkspaceGroup_sptr &resultGroup)

void	copyLogs (const API::Workspace_sptr &resultWorkspace, std::vector< API::MatrixWorkspace_sptr > const &workspaces)

void	copyLogs (const API::WorkspaceGroup_sptr &resultWorkspaces, std::vector< API::MatrixWorkspace_sptr > const &workspaces)

void	deleteTemporaryWorkspaces (const std::string &outputBaseName)

void	exec () override

void	extractMembers (const API::WorkspaceGroup_sptr &resultGroupWs, const std::vector< API::MatrixWorkspace_sptr > &workspaces, const std::string &outputWsName)

API::IAlgorithm_sptr	extractMembersAlgorithm (const API::WorkspaceGroup_sptr &resultGroupWs, const std::string &outputWsName) const

std::vector< std::size_t >	getDatasetGrouping (const std::vector< API::MatrixWorkspace_sptr > &workspaces) const

std::string	getInputString (const std::vector< API::MatrixWorkspace_sptr > &workspaces) const

std::string	getOutputBaseName () const

std::string	getTemporaryName () const

std::set< std::string >	getUniqueParameterNames () const

void	init () override

virtual bool	isFitParameter (const std::string &parameterName) const

API::ITableWorkspace_sptr	performFit (const std::string &input, const std::string &output)

API::WorkspaceGroup_sptr	processIndirectFitParameters (const API::ITableWorkspace_sptr &parameterWorkspace, const std::vector< std::size_t > &grouping)

void	renameGroupWorkspace (std::string const &currentName, std::vector< std::string > const &spectra, std::string const &outputBaseName, std::string const &endOfSuffix)

void	renameWorkspaces (API::WorkspaceGroup_sptr outputGroup, std::vector< std::string > const &spectra, std::string const &outputBaseName, std::string const &endOfSuffix)

void	renameWorkspaces (API::WorkspaceGroup_sptr outputGroup, std::vector< std::string > const &spectra, std::string const &outputBaseName, std::string const &endOfSuffix, std::vector< std::string > const &names)

virtual bool	throwIfElasticQConversionFails () const

Additional Inherited Members
Protected Attributes inherited from Mantid::API::GenericDataProcessorAlgorithm< Base >
bool	m_useMPI
	MPI option. If false, we will use one job event if MPI is available. More...

Detailed Description

QENSFitSequential - Performs a sequential QENS fit.

Definition at line 25 of file QENSFitSequential.h.

Member Function Documentation

◆ addAdditionalLogs() [1/2]

void Mantid::CurveFitting::Algorithms::QENSFitSequential::addAdditionalLogs ( const API::Workspace_sptr & result )

private

Definition at line 573 of file QENSFitSequential.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::createChildAlgorithm(), getAdditionalLogNumbers(), getAdditionalLogStrings(), and Mantid::Kernel::ProgressBase::report().

◆ addAdditionalLogs() [2/2]

void Mantid::CurveFitting::Algorithms::QENSFitSequential::addAdditionalLogs ( const API::WorkspaceGroup_sptr & resultWorkspace )

private

Definition at line 568 of file QENSFitSequential.cpp.

References addAdditionalLogs(), and workspace.

Referenced by addAdditionalLogs(), and exec().

◆ addFitRangeLogs()

void Mantid::CurveFitting::Algorithms::QENSFitSequential::addFitRangeLogs	(	const API::Workspace_sptr &	resultWorkspace,
		size_t	itter
	)

private

Definition at line 593 of file QENSFitSequential.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::createChildAlgorithm(), Mantid::API::GenericDataProcessorAlgorithm< Base >::getProperty(), and std::to_string().

Referenced by exec().

◆ category()

const std::string Mantid::CurveFitting::Algorithms::QENSFitSequential::category ( ) const

override

Algorithm's category for identification.

See also: Algorithm::category

Definition at line 309 of file QENSFitSequential.cpp.

◆ convertInputToElasticQ()

std::vector< MatrixWorkspace_sptr > Mantid::CurveFitting::Algorithms::QENSFitSequential::convertInputToElasticQ ( const std::vector< API::MatrixWorkspace_sptr > & workspaces ) const

private

Definition at line 782 of file QENSFitSequential.cpp.

References getTemporaryName(), and throwIfElasticQConversionFails().

Referenced by exec(), and validateInputs().

◆ copyLogs() [1/4]

void Mantid::CurveFitting::Algorithms::QENSFitSequential::copyLogs	(	const API::MatrixWorkspace_sptr &	resultWorkspace,
		const API::Workspace_sptr &	resultGroup
	)

private

Definition at line 819 of file QENSFitSequential.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::createChildAlgorithm().

◆ copyLogs() [2/4]

void Mantid::CurveFitting::Algorithms::QENSFitSequential::copyLogs	(	const API::MatrixWorkspace_sptr &	resultWorkspace,
		const API::WorkspaceGroup_sptr &	resultGroup
	)

private

Definition at line 814 of file QENSFitSequential.cpp.

References copyLogs(), and workspace.

◆ copyLogs() [3/4]

void Mantid::CurveFitting::Algorithms::QENSFitSequential::copyLogs	(	const API::Workspace_sptr &	resultWorkspace,
		std::vector< API::MatrixWorkspace_sptr > const &	workspaces
	)

private

Definition at line 804 of file QENSFitSequential.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::createChildAlgorithm(), and workspace.

◆ copyLogs() [4/4]

void Mantid::CurveFitting::Algorithms::QENSFitSequential::copyLogs	(	const API::WorkspaceGroup_sptr &	resultWorkspaces,
		std::vector< API::MatrixWorkspace_sptr > const &	workspaces
	)

private

Definition at line 798 of file QENSFitSequential.cpp.

References copyLogs().

Referenced by copyLogs(), and exec().

◆ deleteTemporaryWorkspaces()

void Mantid::CurveFitting::Algorithms::QENSFitSequential::deleteTemporaryWorkspaces ( const std::string & outputBaseName )

private

Definition at line 647 of file QENSFitSequential.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::createChildAlgorithm(), and getTemporaryName().

Referenced by exec().

◆ exec()

void Mantid::CurveFitting::Algorithms::QENSFitSequential::exec ( )

overrideprivate

◆ extractMembers()

void Mantid::CurveFitting::Algorithms::QENSFitSequential::extractMembers	(	const API::WorkspaceGroup_sptr &	resultGroupWs,
		const std::vector< API::MatrixWorkspace_sptr > &	workspaces,
		const std::string &	outputWsName
	)

private

Definition at line 786 of file QENSFitSequential.cpp.

References extractMembersAlgorithm(), and workspace.

Referenced by exec().

◆ extractMembersAlgorithm()

IAlgorithm_sptr Mantid::CurveFitting::Algorithms::QENSFitSequential::extractMembersAlgorithm	(	const API::WorkspaceGroup_sptr &	resultGroupWs,
		const std::string &	outputWsName
	)		const

private

Definition at line 826 of file QENSFitSequential.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::getProperty(), and Mantid::Kernel::SingletonHolder< T >::Instance().

Referenced by extractMembers().

◆ getAdditionalLogNumbers()

std::map< std::string, std::string > Mantid::CurveFitting::Algorithms::QENSFitSequential::getAdditionalLogNumbers ( ) const

protectedvirtual

Definition at line 564 of file QENSFitSequential.cpp.

Referenced by addAdditionalLogs().

◆ getAdditionalLogStrings()

std::map< std::string, std::string > Mantid::CurveFitting::Algorithms::QENSFitSequential::getAdditionalLogStrings ( ) const

protectedvirtual

Definition at line 551 of file QENSFitSequential.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::getProperty(), Mantid::API::GenericDataProcessorAlgorithm< Base >::getPropertyValue(), and name().

Referenced by addAdditionalLogs().

◆ getDatasetGrouping()

std::vector< std::size_t > Mantid::CurveFitting::Algorithms::QENSFitSequential::getDatasetGrouping ( const std::vector< API::MatrixWorkspace_sptr > & workspaces ) const

private

Definition at line 659 of file QENSFitSequential.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::getProperty(), and Mantid::API::GenericDataProcessorAlgorithm< Base >::getPropertyValue().

Referenced by exec().

◆ getFitParameterNames()

std::vector< std::string > Mantid::CurveFitting::Algorithms::QENSFitSequential::getFitParameterNames ( ) const

protectedvirtual

Definition at line 630 of file QENSFitSequential.cpp.

References getUniqueParameterNames().

Referenced by processIndirectFitParameters().

◆ getInputString()

std::string Mantid::CurveFitting::Algorithms::QENSFitSequential::getInputString ( const std::vector< API::MatrixWorkspace_sptr > & workspaces ) const

private

Definition at line 762 of file QENSFitSequential.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::getProperty(), and Mantid::API::GenericDataProcessorAlgorithm< Base >::getPropertyValue().

Referenced by exec(), and validateInputs().

◆ getOutputBaseName()

std::string Mantid::CurveFitting::Algorithms::QENSFitSequential::getOutputBaseName ( ) const

private

Definition at line 618 of file QENSFitSequential.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::getPropertyValue(), and position.

Referenced by exec().

◆ getTemporaryName()

std::string Mantid::CurveFitting::Algorithms::QENSFitSequential::getTemporaryName ( ) const

private

Definition at line 843 of file QENSFitSequential.cpp.

References name().

Referenced by convertInputToElasticQ(), and deleteTemporaryWorkspaces().

◆ getUniqueParameterNames()

std::set< std::string > Mantid::CurveFitting::Algorithms::QENSFitSequential::getUniqueParameterNames ( ) const

private

Definition at line 639 of file QENSFitSequential.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::getProperty().

Referenced by getFitParameterNames().

◆ getWorkspaces()

std::vector< MatrixWorkspace_sptr > Mantid::CurveFitting::Algorithms::QENSFitSequential::getWorkspaces ( ) const

protectedvirtual

Definition at line 769 of file QENSFitSequential.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::getProperty(), and Mantid::API::GenericDataProcessorAlgorithm< Base >::getPropertyValue().

Referenced by exec(), and validateInputs().

◆ init()

void Mantid::CurveFitting::Algorithms::QENSFitSequential::init ( )

overrideprivate

Definition at line 319 of file QENSFitSequential.cpp.

References Mantid::Kernel::Direction::InOut, Mantid::Kernel::Direction::Input, Mantid::Kernel::SingletonHolder< T >::Instance(), Mantid::API::PropertyMode::Optional, and Mantid::Kernel::Direction::Output.

◆ isFitParameter()

bool Mantid::CurveFitting::Algorithms::QENSFitSequential::isFitParameter ( const std::string & parameterName ) const

privatevirtual

Definition at line 628 of file QENSFitSequential.cpp.

◆ name()

const std::string Mantid::CurveFitting::Algorithms::QENSFitSequential::name ( ) const

override

Algorithms name for identification.

See also: Algorithm::name

Definition at line 303 of file QENSFitSequential.cpp.

Referenced by getAdditionalLogStrings(), and getTemporaryName().

◆ performFit()

ITableWorkspace_sptr Mantid::CurveFitting::Algorithms::QENSFitSequential::performFit	(	const std::string &	input,
		const std::string &	output
	)

private

Definition at line 714 of file QENSFitSequential.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::createChildAlgorithm(), Mantid::API::GenericDataProcessorAlgorithm< Base >::getProperty(), Mantid::API::GenericDataProcessorAlgorithm< Base >::getPropertyValue(), and Mantid::Kernel::Direction::Output.

Referenced by exec().

◆ processIndirectFitParameters()

WorkspaceGroup_sptr Mantid::CurveFitting::Algorithms::QENSFitSequential::processIndirectFitParameters	(	const API::ITableWorkspace_sptr &	parameterWorkspace,
		const std::vector< std::size_t > &	grouping
	)

private

Definition at line 667 of file QENSFitSequential.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::createChildAlgorithm(), getFitParameterNames(), and Mantid::API::GenericDataProcessorAlgorithm< Base >::getProperty().

Referenced by exec().

◆ processParameterTable()

ITableWorkspace_sptr Mantid::CurveFitting::Algorithms::QENSFitSequential::processParameterTable ( API::ITableWorkspace_sptr parameterTable )

protectedvirtual

Definition at line 681 of file QENSFitSequential.cpp.

Referenced by exec().

◆ renameGroupWorkspace()

void Mantid::CurveFitting::Algorithms::QENSFitSequential::renameGroupWorkspace	(	std::string const &	currentName,
		std::vector< std::string > const &	spectra,
		std::string const &	outputBaseName,
		std::string const &	endOfSuffix
	)

private

Definition at line 705 of file QENSFitSequential.cpp.

References Mantid::Kernel::SingletonHolder< T >::Instance(), and renameWorkspaces().

Referenced by exec().

◆ renameWorkspaces() [1/2]

void Mantid::CurveFitting::Algorithms::QENSFitSequential::renameWorkspaces	(	API::WorkspaceGroup_sptr	outputGroup,
		std::vector< std::string > const &	spectra,
		std::string const &	outputBaseName,
		std::string const &	endOfSuffix
	)

private

Definition at line 697 of file QENSFitSequential.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::createChildAlgorithm(), and Mantid::API::renameWorkspacesInQENSFit().

Referenced by exec(), and renameGroupWorkspace().

◆ renameWorkspaces() [2/2]

void Mantid::CurveFitting::Algorithms::QENSFitSequential::renameWorkspaces	(	API::WorkspaceGroup_sptr	outputGroup,
		std::vector< std::string > const &	spectra,
		std::string const &	outputBaseName,
		std::string const &	endOfSuffix,
		std::vector< std::string > const &	names
	)

private

Definition at line 685 of file QENSFitSequential.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::createChildAlgorithm(), and Mantid::API::renameWorkspacesInQENSFit().

◆ seeAlso()

const std::vector< std::string > Mantid::CurveFitting::Algorithms::QENSFitSequential::seeAlso ( ) const

override

Algorithm's see also for related algorithms.

See also: Algorithm::seeAlso

Definition at line 315 of file QENSFitSequential.cpp.

◆ summary()

const std::string Mantid::CurveFitting::Algorithms::QENSFitSequential::summary ( ) const

override

Algorithm's summary for use in the GUI and help.

See also: Algorithm::summary

Definition at line 312 of file QENSFitSequential.cpp.

◆ throwIfElasticQConversionFails()

bool Mantid::CurveFitting::Algorithms::QENSFitSequential::throwIfElasticQConversionFails ( ) const

privatevirtual

Definition at line 626 of file QENSFitSequential.cpp.

Referenced by convertInputToElasticQ().

◆ validateInputs()

std::map< std::string, std::string > Mantid::CurveFitting::Algorithms::QENSFitSequential::validateInputs ( )

overrideprotected

Definition at line 448 of file QENSFitSequential.cpp.

References convertInputToElasticQ(), getInputString(), Mantid::API::GenericDataProcessorAlgorithm< Base >::getProperty(), Mantid::API::GenericDataProcessorAlgorithm< Base >::getPropertyValue(), getWorkspaces(), and workspace.

◆ version()

int Mantid::CurveFitting::Algorithms::QENSFitSequential::version ( ) const

override

Algorithm's version for identification.

See also: Algorithm::version

Definition at line 306 of file QENSFitSequential.cpp.

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

Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/QENSFitSequential.h
Framework/CurveFitting/src/Algorithms/QENSFitSequential.cpp

Public Member Functions

Protected Member Functions

Private Member Functions

Additional Inherited Members

Detailed Description

Member Function Documentation

◆ addAdditionalLogs() [1/2]

◆ addAdditionalLogs() [2/2]

◆ addFitRangeLogs()

◆ category()

◆ convertInputToElasticQ()

◆ copyLogs() [1/4]

◆ copyLogs() [2/4]

◆ copyLogs() [3/4]

◆ copyLogs() [4/4]

◆ deleteTemporaryWorkspaces()

◆ exec()

◆ extractMembers()

◆ extractMembersAlgorithm()

◆ getAdditionalLogNumbers()

◆ getAdditionalLogStrings()

◆ getDatasetGrouping()

◆ getFitParameterNames()

◆ getInputString()

◆ getOutputBaseName()

◆ getTemporaryName()

◆ getUniqueParameterNames()

◆ getWorkspaces()

◆ init()

◆ isFitParameter()

◆ name()

◆ performFit()

◆ processIndirectFitParameters()

◆ processParameterTable()

◆ renameGroupWorkspace()

◆ renameWorkspaces() [1/2]

◆ renameWorkspaces() [2/2]

◆ seeAlso()

◆ summary()

◆ throwIfElasticQConversionFails()

◆ validateInputs()

◆ version()