CreateMD : This workflow algorithm creates MDWorkspaces in the Q3D, HKL frame using ConvertToMD. More...

#include <CreateMD.h>

Inheritance diagram for Mantid::MDAlgorithms::CreateMD:

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

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...

Private Member Functions
void	addSampleLog (const Mantid::API::MatrixWorkspace_sptr &workspace, const std::string &log_name, double log_number)
	Add a sample log to a workspace. More...

Mantid::API::IMDEventWorkspace_sptr	convertToMD (const Mantid::API::Workspace_sptr &workspace, const std::string &analysis_mode, bool in_place, const std::string &filebackend_filename, const bool filebackend, const Mantid::API::IMDEventWorkspace_sptr &out_mdws)
	Convert a workspace to MDWorkspace. More...

void	exec () override
	Execute the algorithm. More...

void	init () override
	Initialize the algorithm's properties. More...

Mantid::API::Workspace_sptr	loadWs (const std::string &filename, const std::string &wsname)
	Load data from file into a workspace. More...

Mantid::API::IMDEventWorkspace_sptr	merge_runs (const std::vector< std::string > &to_merge)
	Merge input workspaces. More...

void	setGoniometer (const Mantid::API::MatrixWorkspace_sptr &workspace)
	Set the goniometer values in a workspace. More...

void	setUB (const Mantid::API::MatrixWorkspace_sptr &workspace, double a, double b, double c, double alpha, double beta, double gamma, const std::vector< double > &u, const std::vector< double > &v)
	Set the UB matrix in a workspace. More...

Mantid::API::IMDEventWorkspace_sptr	single_run (const Mantid::API::MatrixWorkspace_sptr &input_workspace, const std::string &emode, double efix, double psi, double gl, double gs, bool in_place, const std::vector< double > &alatt, const std::vector< double > &angdeg, const std::vector< double > &u, const std::vector< double > &v, const std::string &filebackend_filename, const bool filebackend, const Mantid::API::IMDEventWorkspace_sptr &out_mdws)
	Add logs and convert to MDWorkspace for a single run. More...

std::map< std::string, std::string >	validateInputs () override
	Validate the algorithm's input properties. More...

Additional Inherited Members
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)

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

CreateMD : This workflow algorithm creates MDWorkspaces in the Q3D, HKL frame using ConvertToMD.

Definition at line 26 of file CreateMD.h.

Member Function Documentation

◆ addSampleLog()

void Mantid::MDAlgorithms::CreateMD::addSampleLog	(	const Mantid::API::MatrixWorkspace_sptr &	workspace,
		const std::string &	log_name,
		double	log_number
	)

private

Add a sample log to a workspace.

Definition at line 278 of file CreateMD.cpp.

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

Referenced by single_run().

◆ category()

const std::string Mantid::MDAlgorithms::CreateMD::category ( ) const

override

Algorithm's category for identification.

See also: Algorithm::category

Definition at line 96 of file CreateMD.cpp.

◆ convertToMD()

Mantid::API::IMDEventWorkspace_sptr Mantid::MDAlgorithms::CreateMD::convertToMD	(	const Mantid::API::Workspace_sptr &	workspace,
		const std::string &	analysis_mode,
		bool	in_place,
		const std::string &	filebackend_filename,
		const bool	filebackend,
		const Mantid::API::IMDEventWorkspace_sptr &	out_mdws
	)

private

Convert a workspace to MDWorkspace.

Definition at line 350 of file CreateMD.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::createChildAlgorithm(), Mantid::MDAlgorithms::MAXRECURSIONDEPTH(), Mantid::MDAlgorithms::SPLITINTO(), Mantid::MDAlgorithms::SPLITTHRESHOLD(), and workspace.

Referenced by single_run().

◆ exec()

void Mantid::MDAlgorithms::CreateMD::exec ( )

overrideprivate

Execute the algorithm.

Definition at line 165 of file CreateMD.cpp.

References Mantid::API::Progress::doReport(), Mantid::API::GenericDataProcessorAlgorithm< Base >::getProperty(), Mantid::Kernel::SingletonHolder< T >::Instance(), loadWs(), merge_runs(), name(), Mantid::MDAlgorithms::padParameterVector(), Mantid::Kernel::ProgressBase::report(), single_run(), and workspace.

◆ init()

void Mantid::MDAlgorithms::CreateMD::init ( )

overrideprivate

Initialize the algorithm's properties.

Definition at line 104 of file CreateMD.cpp.

References Mantid::Kernel::Direction::Input, Mantid::Kernel::IS_EQUAL_TO, Mantid::API::FileProperty::OptionalSave, and Mantid::Kernel::Direction::Output.

◆ loadWs()

Mantid::API::Workspace_sptr Mantid::MDAlgorithms::CreateMD::loadWs	(	const std::string &	filename,
		const std::string &	wsname
	)

private

Load data from file into a workspace.

Definition at line 261 of file CreateMD.cpp.

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

Referenced by exec().

◆ merge_runs()

Mantid::API::IMDEventWorkspace_sptr Mantid::MDAlgorithms::CreateMD::merge_runs ( const std::vector< std::string > & to_merge )

private

Merge input workspaces.

Definition at line 396 of file CreateMD.cpp.

References Mantid::API::GenericDataProcessorAlgorithm< Base >::createChildAlgorithm(), Mantid::MDAlgorithms::MAXRECURSIONDEPTH(), Mantid::MDAlgorithms::SPLITINTO(), and Mantid::MDAlgorithms::SPLITTHRESHOLD().

Referenced by exec().

◆ name()

const std::string Mantid::MDAlgorithms::CreateMD::name ( ) const

override

Algorithms name for identification.

See also: Algorithm::name

Definition at line 90 of file CreateMD.cpp.

Referenced by exec().

◆ seeAlso()

const std::vector< std::string > Mantid::MDAlgorithms::CreateMD::seeAlso ( ) const

inlineoverride

Definition at line 30 of file CreateMD.h.

◆ setGoniometer()

void Mantid::MDAlgorithms::CreateMD::setGoniometer ( const Mantid::API::MatrixWorkspace_sptr & workspace )

private

Set the goniometer values in a workspace.

Definition at line 297 of file CreateMD.cpp.

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

Referenced by single_run().

◆ setUB()

void Mantid::MDAlgorithms::CreateMD::setUB	(	const Mantid::API::MatrixWorkspace_sptr &	workspace,
		double	a,
		double	b,
		double	c,
		double	alpha,
		double	beta,
		double	gamma,
		const std::vector< double > &	u,
		const std::vector< double > &	v
	)

private

Set the UB matrix in a workspace.

Definition at line 325 of file CreateMD.cpp.

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

Referenced by single_run().

◆ single_run()

Mantid::API::IMDEventWorkspace_sptr Mantid::MDAlgorithms::CreateMD::single_run	(	const Mantid::API::MatrixWorkspace_sptr &	input_workspace,
		const std::string &	emode,
		double	efix,
		double	psi,
		double	gl,
		double	gs,
		bool	in_place,
		const std::vector< double > &	alatt,
		const std::vector< double > &	angdeg,
		const std::vector< double > &	u,
		const std::vector< double > &	v,
		const std::string &	filebackend_filename,
		const bool	filebackend,
		const Mantid::API::IMDEventWorkspace_sptr &	out_mdws
	)

private

Add logs and convert to MDWorkspace for a single run.

Definition at line 429 of file CreateMD.cpp.

References addSampleLog(), Mantid::MDAlgorithms::all_given(), Mantid::MDAlgorithms::any_given(), convertToMD(), Mantid::API::g_log, setGoniometer(), setUB(), and Mantid::Kernel::Logger::warning().

Referenced by exec().

◆ summary()

const std::string Mantid::MDAlgorithms::CreateMD::summary ( ) const

override

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

See also: Algorithm::summary

Definition at line 99 of file CreateMD.cpp.

◆ validateInputs()

std::map< std::string, std::string > Mantid::MDAlgorithms::CreateMD::validateInputs ( )

overrideprivate

Validate the algorithm's input properties.

Definition at line 466 of file CreateMD.cpp.

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

◆ version()

int Mantid::MDAlgorithms::CreateMD::version ( ) const

override

Algorithm's version for identification.

See also: Algorithm::version

Definition at line 93 of file CreateMD.cpp.

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

Framework/MDAlgorithms/inc/MantidMDAlgorithms/CreateMD.h
Framework/MDAlgorithms/src/CreateMD.cpp

Public Member Functions

Private Member Functions

Additional Inherited Members

Detailed Description

Member Function Documentation

◆ addSampleLog()

◆ category()

◆ convertToMD()

◆ exec()

◆ init()

◆ loadWs()

◆ merge_runs()

◆ name()

◆ seeAlso()

◆ setGoniometer()

◆ setUB()

◆ single_run()

◆ summary()

◆ validateInputs()

◆ version()