MDNormSCD : Generate MD normalization for single crystal diffraction. More...

#include <MDNormSCD.h>

Inheritance diagram for Mantid::MDAlgorithms::MDNormSCD:

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

	MDNormSCD ()
	Constructor.

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

const std::vector< std::string >	seeAlso () const override
	Function to return all of the seeAlso (these are not validated) algorithms related to this algorithm.A default implementation is provided.

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

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

Public Member Functions inherited from Mantid::MDAlgorithms::SlicingAlgorithm
	SlicingAlgorithm ()
	Constructor.

Public Member Functions inherited from Mantid::API::Algorithm
	Algorithm ()
	Constructor.

	Algorithm (const Algorithm &)=delete

Algorithm &	operator= (const Algorithm &)=delete

	~Algorithm () override
	Virtual destructor.

void	initialize () override
	Initialization method invoked by the framework.

bool	execute () override final
	The actions to be performed by the algorithm on a dataset.

void	addTimer (const std::string &name, const Kernel::time_point_ns &begin, const Kernel::time_point_ns &end)

void	executeAsChildAlg () override
	Execute as a Child Algorithm.

std::map< std::string, std::string >	validateInputs () override
	Perform validation of ALL the input properties of the algorithm.

ExecutionState	executionState () const override
	Gets the current execution state.

ResultState	resultState () const override
	Gets the current result State.

bool	isInitialized () const override
	Has the Algorithm already been initialized.

bool	isExecuted () const override
	Has the Algorithm already been executed successfully.

bool	isRunning () const override
	True if the algorithm is running.

bool	isReadyForGarbageCollection () const override
	True if the algorithm is ready for garbage collection.

bool	isChild () const override
	To query whether algorithm is a child.

void	setChild (const bool isChild) override
	To set whether algorithm is a child.

void	enableHistoryRecordingForChild (const bool on) override
	Change the state of the history recording flag.

bool	isRecordingHistoryForChild ()

void	setAlwaysStoreInADS (const bool doStore) override
	Do we ALWAYS store in the AnalysisDataService? This is set to true for python algorithms' child algorithms.

bool	getAlwaysStoreInADS () const override
	Returns true if we always store in the AnalysisDataService.

void	setRethrows (const bool rethrow) override
	Set whether the algorithm will rethrow exceptions.

Poco::ActiveResult< bool >	executeAsync () override
	Asynchronous execution.

void	addObserver (const Poco::AbstractObserver &observer) const override
	Add an observer for a notification.

void	removeObserver (const Poco::AbstractObserver &observer) const override
	Remove an observer.

void	cancel () override
	Raises the cancel flag.

bool	getCancel () const
	Returns the cancellation state.

Kernel::Logger &	getLogger () const
	Returns a reference to the logger.

void	setLogging (const bool value) override
	Logging can be disabled by passing a value of false.

bool	isLogging () const override
	returns the status of logging, True = enabled

void	setLoggingOffset (const int value) override
	gets the logging priority offset

int	getLoggingOffset () const override
	returns the logging priority offset

void	setAlgStartupLogging (const bool enabled) override
	disable Logging of start and end messages

bool	getAlgStartupLogging () const override
	get the state of Logging of start and end messages

void	setChildStartProgress (const double startProgress) const override
	setting the child start progress

void	setChildEndProgress (const double endProgress) const override
	setting the child end progress

std::string	toString () const override
	Serialize an object to a string.

::Json::Value	toJson () const override
	Serialize an object to a json object.

virtual 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)
	Create a Child Algorithm.

void	setupAsChildAlgorithm (const Algorithm_sptr &algorithm, const double startProgress=-1., const double endProgress=-1., const bool enableLogging=true)
	Setup algorithm as child algorithm.

void	trackAlgorithmHistory (std::shared_ptr< AlgorithmHistory > parentHist)
	set whether we wish to track the child algorithm's history and pass it the parent object to fill.

void	findWorkspaces (WorkspaceVector &workspaces, unsigned int direction, bool checkADS=false) const
	Populate lists of the workspace properties for a given direction (InOut workspaces are included in both input/output)

virtual bool	checkGroups ()
	Check the input workspace properties for groups.

virtual bool	processGroups ()
	Process WorkspaceGroup inputs.

void	copyNonWorkspaceProperties (IAlgorithm *alg, int periodNum)
	Copy all the non-workspace properties from this to alg.

void	declareProperty (std::unique_ptr< Kernel::Property > p, const std::string &doc="") override
	Add a property to the list of managed properties.

void	declareOrReplaceProperty (std::unique_ptr< Kernel::Property > p, const std::string &doc="") override
	Add or replace property in the list of managed properties.

void	resetProperties () override
	Reset property values back to initial values (blank or default values)

void	setProperties (const std::string &propertiesJson, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >(), bool createMissing=false) override
	Set the ordered list of properties by one string of values, separated by semicolons.

void	setProperties (const ::Json::Value &jsonValue, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >(), bool createMissing=false) override
	Sets all the declared properties from a json object.

void	setPropertiesWithString (const std::string &propertiesString, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >()) override
	Sets all the declared properties from a string.

void	setPropertyValue (const std::string &name, const std::string &value) override
	Set the value of a property by string N.B.

void	setPropertyValueFromJson (const std::string &name, const Json::Value &value) override
	Set the value of a property by Json::Value object.

void	setPropertyOrdinal (const int &index, const std::string &value) override
	Set the value of a property by an index N.B.

virtual void	copyPropertiesFrom (const Algorithm &alg)
	Make m_properties point to the same PropertyManager as alg.m_properties.

bool	existsProperty (const std::string &name) const override
	Checks whether the named property is already in the list of managed property.

bool	validateProperties () const override
	Validates all the properties in the collection.

size_t	propertyCount () const override
	Count the number of properties under management.

std::string	getPropertyValue (const std::string &name) const override
	Get the value of a property as a string.

const std::vector< Kernel::Property * > &	getProperties () const override
	Get the list of managed properties.

std::vector< std::string >	getDeclaredPropertyNames () const noexcept override
	Return the list of declared property names.

TypedValue	getProperty (const std::string &name) const override
	Get the value of a property.

std::string	asString (bool withDefaultValues=false) const override
	Return the property manager serialized as a string.

::Json::Value	asJson (bool withDefaultValues=false) const override
	Return the property manager serialized as a json object.

bool	isDefault (const std::string &name) const

void	removeProperty (const std::string &name, const bool delproperty=true) override
	Removes the property from management.

std::unique_ptr< Kernel::Property >	takeProperty (const size_t index) override
	Removes the property from management and returns a pointer to it.

void	clear () override
	Clears all properties under management.

void	afterPropertySet (const std::string &) override
	Override this method to perform a custom action right after a property was set.

Kernel::Property *	getPointerToProperty (const std::string &name) const override
	Get a property by name.

Kernel::Property *	getPointerToPropertyOrdinal (const int &index) const override
	Get a property by an index.

virtual void	declareProperty (std::unique_ptr< Property > p, const std::string &doc="")=0
	Function to declare properties (i.e. store them)

template<typename T >
void	declareProperty (const std::string &name, T value, IValidator_sptr validator=std::make_shared< NullValidator >(), const std::string &doc="", const unsigned int direction=Direction::Input)
	Add a property of the template type to the list of managed properties.

template<typename T >
void	declareProperty (const std::string &name, T value, const std::string &doc, const unsigned int direction=Direction::Input)
	Add a property to the list of managed properties with no validator.

template<typename T >
void	declareProperty (const std::string &name, T value, const unsigned int direction)
	Add a property of the template type to the list of managed properties.

void	declareProperty (const std::string &name, const char *value, IValidator_sptr validator=std::make_shared< NullValidator >(), const std::string &doc=std::string(), const unsigned int direction=Direction::Input)
	Specialised version of declareProperty template method to prevent the creation of a PropertyWithValue of type const char* if an argument in quotes is passed (it will be converted to a string).

void	declareProperty (const std::string &name, const char *value, const std::string &doc, IValidator_sptr validator=std::make_shared< NullValidator >(), const unsigned int direction=Direction::Input)
	Specialised version of declareProperty template method to prevent the creation of a PropertyWithValue of type const char* if an argument in quotes is passed (it will be converted to a string).

void	declareProperty (const std::string &name, const char *value, const unsigned int direction)
	Add a property of string type to the list of managed properties.

const std::vector< std::string >	categories () const override
	Function to return all of the categories that contain this algorithm.

const std::string	categorySeparator () const override
	Function to return the separator token for the category string.

const std::string	alias () const override
	function to return any aliases to the algorithm; A default implementation is provided

const std::string	aliasDeprecated () const override
	Expiration date (in ISO8601 format) for the algorithm aliases; default implementation for no expiration date.

const std::string	helpURL () const override
	function to return URL for algorithm documentation; A default implementation is provided.

template<typename T , typename = typename std::enable_if<std::is_convertible<T , MatrixWorkspace >::value>::type>
std::tuple< std::shared_ptr< T >, Indexing::SpectrumIndexSet >	getWorkspaceAndIndices (const std::string &name) const
	Mechanism for retriving the index property.

template<typename T1 , typename T2 , typename = typename std::enable_if<std::is_convertible<T1 , MatrixWorkspace >::value>::type, typename = typename std::enable_if<std::is_convertible<T2 , std::string >::value \|\| std::is_convertible<T2 , std::vector<int64_t> >::value>::type>
void	setWorkspaceInputProperties (const std::string &name, const std::shared_ptr< T1 > &wksp, IndexType type, const T2 &list)
	Mechanism for setting the index property with a workspace shared pointer.

template<typename T1 , typename T2 , typename = typename std::enable_if<std::is_convertible<T1 , MatrixWorkspace >::value>::type, typename = typename std::enable_if<std::is_convertible<T2 , std::string >::value \|\| std::is_convertible<T2 , std::vector<int64_t> >::value>::type>
void	setWorkspaceInputProperties (const std::string &name, const std::string &wsName, IndexType type, const T2 &list)
	Mechanism for setting the index property with a workspace shared pointer.

const std::string	workspaceMethodName () const override

const std::vector< std::string >	workspaceMethodOn () const override

const std::string	workspaceMethodInputProperty () const override

AlgorithmID	getAlgorithmID () const override
	Algorithm ID.

Algorithms As Methods
Public Member Functions inherited from Mantid::Kernel::IPropertyManager
void	declareProperty (const std::string &name, const char *value, const std::string &doc, IValidator_sptr validator=std::make_shared< NullValidator >(), const unsigned int direction=Direction::Input)
	Specialised version of declareProperty template method to prevent the creation of a PropertyWithValue of type const char* if an argument in quotes is passed (it will be converted to a string).

void	declareProperty (const std::string &name, const char *value, const unsigned int direction)
	Add a property of string type to the list of managed properties.

void	declareProperty (const std::string &name, const char *value, IValidator_sptr validator=std::make_shared< NullValidator >(), const std::string &doc=std::string(), const unsigned int direction=Direction::Input)
	Specialised version of declareProperty template method to prevent the creation of a PropertyWithValue of type const char* if an argument in quotes is passed (it will be converted to a string).

template<typename T >
void	declareProperty (const std::string &name, T value, const std::string &doc, const unsigned int direction=Direction::Input)
	Add a property to the list of managed properties with no validator.

template<typename T >
void	declareProperty (const std::string &name, T value, const unsigned int direction)
	Add a property of the template type to the list of managed properties.

template<typename T >
void	declareProperty (const std::string &name, T value, IValidator_sptr validator=std::make_shared< NullValidator >(), const std::string &doc="", const unsigned int direction=Direction::Input)
	Add a property of the template type to the list of managed properties.

virtual void	filterByProperty (Mantid::Kernel::LogFilter *, const std::vector< std::string > &)

std::vector< Property * >	getPropertiesInGroup (const std::string &group) const
	Get the list of managed properties in a given group.

IPropertyManager *	setProperty (const std::string &name, const char *value)
	Specialised version of setProperty template method to handle const char *.

IPropertyManager *	setProperty (const std::string &name, const std::string &value)
	Specialised version of setProperty template method to handle std::string.

template<typename T >
IPropertyManager *	setProperty (const std::string &name, const T &value)
	Templated method to set the value of a PropertyWithValue.

template<typename T >
IPropertyManager *	setProperty (const std::string &name, std::unique_ptr< T > value)
	Templated method to set the value of a PropertyWithValue from a std::unique_ptr.

void	setPropertyGroup (const std::string &name, const std::string &group)
	Set the group for a given property.

void	setPropertySettings (const std::string &name, std::unique_ptr< IPropertySettings > settings)

void	updatePropertyValues (const IPropertyManager &other)
	Update values of the existing properties.

virtual	~IPropertyManager ()=default

Private Member Functions
DataObjects::MDHistoWorkspace_sptr	binInputWS ()
	Runs the BinMD algorithm on the input to provide the output workspace All slicing algorithm properties are passed along.

void	cacheDimensionXValues ()
	Stores the X values from each H,K,L dimension as member variables.

void	cacheInputs ()
	Set up starting values for cached variables.

void	calcIntegralsForIntersections (const std::vector< double > &xValues, const API::MatrixWorkspace &integrFlux, size_t sp, std::vector< double > &yValues) const
	Linearly interpolate between the points in integrFlux at xValues and save the results in yValues.

void	calculateIntersections (std::vector< std::array< double, 4 > > &intersections, const double theta, const double phi)
	Calculate the points of intersection for the given detector with cuboid surrounding the detector position in HKL.

void	calculateNormalization (const std::vector< coord_t > &otherValues, const Kernel::Matrix< coord_t > &affineTrans, uint16_t expInfoIndex)
	Computed the normalization for the input workspace.

void	createNormalizationWS (const DataObjects::MDHistoWorkspace &dataWS)
	Create & cached the normalization workspace.

void	exec () override
	Execute the algorithm.

Kernel::Matrix< coord_t >	findIntergratedDimensions (const std::vector< coord_t > &otherDimValues, bool &skipNormalization)
	Checks the normalization workspace against the indices of the original dimensions.

std::vector< coord_t >	getValuesFromOtherDimensions (bool &skipNormalization, uint16_t expInfoIndex=0) const
	Retrieve logged values from non-HKL dimensions.

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

std::string	inputEnergyMode () const
	Currently looks for the ConvertToMD algorithm in the history.

Private Attributes
std::string	convention
	ki-kf for Inelastic convention; kf-ki for Crystallography convention

bool	m_accumulate {false}
	internal flag to accumulate to an existing workspace

Kernel::V3D	m_beamDir
	Beam direction.

size_t	m_hIdx
	index of h,k,l dimensions in the output workspaces

bool	m_hIntegrated
	flag for integrated h,k,l dimensions

coord_t	m_hmax

coord_t	m_hmin
	limits for h,k,l dimensions

std::vector< double >	m_hX
	cached X values along dimensions h,k,l

API::IMDEventWorkspace_sptr	m_inputWS
	Input workspace.

size_t	m_kIdx

double	m_kiMax

double	m_kiMin
	limits for momentum

bool	m_kIntegrated

coord_t	m_kmax

coord_t	m_kmin

std::vector< double >	m_kX

size_t	m_lIdx

bool	m_lIntegrated

coord_t	m_lmax

coord_t	m_lmin

std::vector< double >	m_lX

DataObjects::MDHistoWorkspace_sptr	m_normWS
	Normalization workspace.

uint16_t	m_numExptInfos
	number of experiment infos

Mantid::Kernel::DblMatrix	m_rubw
	(2*PiRUBW)^-1

Kernel::V3D	m_samplePos
	Sample position.

Additional Inherited Members
Public Types inherited from Mantid::API::Algorithm
using	WorkspaceVector = std::vector< std::shared_ptr< Workspace > >

Static Public Member Functions inherited from Mantid::MDAlgorithms::SlicingAlgorithm
static std::string	getDimensionChars ()

Static Public Member Functions inherited from Mantid::API::Algorithm
static IAlgorithm_sptr	fromString (const std::string &input)
	De-serialize an object from a string.

static IAlgorithm_sptr	fromJson (const Json::Value &input)
	De-serialize an object from a Json.

static IAlgorithm_sptr	fromHistory (const AlgorithmHistory &history)
	Construct an object from a history entry.

Public Attributes inherited from Mantid::API::Algorithm
bool	calledByAlias = false
	Flag to indicate if the algorithm is called by its alias.

Protected Member Functions inherited from Mantid::MDAlgorithms::SlicingAlgorithm
void	createAlignedTransform ()
	Using the parameters, create a coordinate transformation for aligned cuts.

void	createGeneralTransform ()
	Loads the dimensions and create the coordinate transform, using the inputs.

void	createTransform ()
	Read the algorithm properties and creates the appropriate transforms for slicing the MDEventWorkspace.

std::unique_ptr< Mantid::Geometry::MDImplicitFunction >	getGeneralImplicitFunction (const size_t const chunkMin, const size_t const chunkMax)
	Create an implicit function for picking boxes, based on the indexes in the output MDHistoWorkspace.

std::unique_ptr< Mantid::Geometry::MDImplicitFunction >	getImplicitFunctionForChunk (const size_t const chunkMin, const size_t const chunkMax)
	Create an implicit function for picking boxes, based on the indexes in the output MDHistoWorkspace.

void	initSlicingProps ()
	Initialise the properties.

void	makeAlignedDimensionFromString (const std::string &str)
	Generate a MDHistoDimension_sptr from a comma-sep string (for AlignedDim0, etc.) Must be called in order X,Y,Z,T.

void	makeBasisVectorFromString (const std::string &str)
	Generate the MDHistoDimension and basis vector for a given string from BasisVector0 etc.

void	processGeneralTransformProperties ()
	Reads the various Properties for the general (non-aligned) case and fills in members on the Algorithm for later use.

	~SlicingAlgorithm ()=default

Protected Member Functions inherited from Mantid::API::Algorithm
virtual const std::string	workspaceMethodOnTypes () const
	Returns a semi-colon separated list of workspace types to attach this algorithm.

void	cacheWorkspaceProperties ()
	Go through the properties and cache the input/output workspace properties for later use.

void	cacheInputWorkspaceHistories ()
	Cache the histories of any input workspaces so they can be copied over after algorithm completion.

void	setExecutionState (const ExecutionState state)
	Sets the current execution state.

void	setResultState (const ResultState state)
	Sets the result execution state.

void	store ()
	Stores any output workspaces into the AnalysisDataService.

void	progress (double p, const std::string &msg="", double estimatedTime=0.0, int progressPrecision=0)
	Sends ProgressNotification.

void	interruption_point ()
	This is called during long-running operations, and check if the algorithm has requested that it be cancelled.

Poco::NotificationCenter &	notificationCenter () const
	Return a reference to the algorithm's notification dispatcher.

void	handleChildProgressNotification (const Poco::AutoPtr< ProgressNotification > &pNf)
	Observation slot for child algorithm progress notification messages, these are scaled and then signalled for this algorithm.

const Poco::AbstractObserver &	progressObserver () const
	Return a reference to the algorithm's object that is reporting progress.

bool	isWorkspaceProperty (const Kernel::Property *const prop) const
	checks the property is a workspace property

bool	trackingHistory ()
	get whether we are tracking the history for this algorithm,

virtual void	fillHistory ()
	Copy workspace history from input workspaces to output workspaces and record the history for ths algorithm.

void	fillHistory (const std::vector< Workspace_sptr > &outputWorkspaces)
	Copy workspace history from input workspaces to provided vector of output workspaces.

virtual void	setOtherProperties (IAlgorithm *alg, const std::string &propertyName, const std::string &propertyValue, int periodNum)
	Virtual method to set the non workspace properties for this algorithm.

template<typename T , const int AllowedIndexTypes = static_cast<int>(IndexType::WorkspaceIndex), typename... WSPropArgs, typename = typename std::enable_if<std::is_convertible<T , MatrixWorkspace >::value>::type>
void	declareWorkspaceInputProperties (const std::string &propertyName, const std::string &doc, WSPropArgs &&...wsPropArgs)
	Declare a property which defines the workspace and allowed index types, as well as a property for capturing the indices all at once.

Protected Member Functions inherited from Mantid::Kernel::IPropertyManager
template<typename T >
T	getValue (const std::string &name) const
	Templated method to get the value of a property.

template<>
MANTID_KERNEL_DLL PropertyManager_sptr	getValue (const std::string &name) const

template<>
MANTID_KERNEL_DLL PropertyManager_const_sptr	getValue (const std::string &name) const

Static Protected Member Functions inherited from Mantid::API::Algorithm
template<typename NumT >
static bool	isEmpty (const NumT toCheck)
	checks that the value was not set by users, uses the value in empty double/int.

Protected Attributes inherited from Mantid::MDAlgorithms::SlicingAlgorithm
bool	m_axisAligned
	Set to true if the cut is aligned with the axes.

std::vector< Mantid::Kernel::VMD >	m_bases
	Basis vectors of the output dimensions, normalized to unity length.

std::vector< Mantid::Geometry::MDHistoDimension_sptr >	m_binDimensions
	Bin dimensions to actually use.

std::vector< double >	m_binningScaling
	Scaling factor to apply for each basis vector (to map to the bins).

std::vector< size_t >	m_dimensionToBinFrom
	Index of the dimension in the MDEW for the dimension in the output.

Mantid::Kernel::VMD	m_inputMinPoint
	Coordinates in the INPUT workspace corresponding to the minimum edge in all dimensions.

Mantid::API::IMDWorkspace_sptr	m_intermediateWS
	Intermediate original workspace.

Mantid::API::IMDWorkspace_sptr	m_inWS
	Input workspace.

std::vector< double >	m_maxExtents
	For non-aligned, the maximum coordinate extents in each OUTPUT dimension.

std::vector< double >	m_minExtents
	For non-aligned, the minimum coordinate extents in each OUTPUT dimension.

bool	m_NormalizeBasisVectors
	The NormalizeBasisVectors option.

std::vector< int >	m_numBins
	For non-aligned, the number of bins in each OUTPUT dimension.

Mantid::API::IMDWorkspace_sptr	m_originalWS
	Original (MDEventWorkspace) that inWS was based on.

size_t	m_outD
	Number of dimensions in the output (binned) workspace.

std::unique_ptr< API::CoordTransform >	m_transform
	Coordinate transformation to apply.

std::unique_ptr< DataObjects::CoordTransformAffine >	m_transformFromIntermediate
	Coordinate transformation to save in the output WS, from the intermediate WS.

std::unique_ptr< API::CoordTransform >	m_transformFromOriginal
	Coordinate transformation to save in the output workspace (original->binned)

std::vector< double >	m_transformScaling
	Scaling factor to apply for each basis vector to transfor to the output dimensions.

std::unique_ptr< DataObjects::CoordTransformAffine >	m_transformToIntermediate
	Coordinate transformation to save in the intermediate WS.

std::unique_ptr< API::CoordTransform >	m_transformToOriginal
	Coordinate transformation to save in the output workspace (binned->original)

Mantid::Kernel::VMD	m_translation
	Translation from the OUTPUT to the INPUT workspace i.e.

Protected Attributes inherited from Mantid::API::Algorithm
std::atomic< bool >	m_cancel
	Set to true to stop execution.

std::atomic< bool >	m_parallelException
	Set if an exception is thrown, and not caught, within a parallel region.

std::vector< IWorkspaceProperty * >	m_inputWorkspaceProps
	All the WorkspaceProperties that are Input or InOut. Set in execute()

std::shared_ptr< AlgorithmHistory >	m_history
	Pointer to the history for the algorithm being executed.

Kernel::Logger	m_log
	Logger for this algorithm.

Kernel::Logger &	g_log

std::shared_ptr< AlgorithmHistory >	m_parentHistory
	Pointer to the parent history object (if set)

std::vector< WorkspaceVector >	m_unrolledInputWorkspaces
	One vector of workspaces for each input workspace property.

size_t	m_groupSize
	Size of the group(s) being processed.

bool	m_usingBaseProcessGroups = false
	distinguish between base processGroups() and overriden/algorithm specific versions

Static Protected Attributes inherited from Mantid::API::Algorithm
static size_t	g_execCount = 0
	Counter to keep track of algorithm execution order.

Detailed Description

MDNormSCD : Generate MD normalization for single crystal diffraction.

Definition at line 20 of file MDNormSCD.h.

Constructor & Destructor Documentation

◆ MDNormSCD()

Mantid::MDAlgorithms::MDNormSCD::MDNormSCD ( )

Constructor.

Definition at line 44 of file MDNormSCD.cpp.

Member Function Documentation

◆ binInputWS()

MDHistoWorkspace_sptr Mantid::MDAlgorithms::MDNormSCD::binInputWS ( )

private

Runs the BinMD algorithm on the input to provide the output workspace All slicing algorithm properties are passed along.

Returns: MDHistoWorkspace as a result of the binning

Definition at line 220 of file MDNormSCD.cpp.

References Mantid::API::Algorithm::createChildAlgorithm(), and Mantid::API::Algorithm::getProperties().

Referenced by exec().

◆ cacheDimensionXValues()

void Mantid::MDAlgorithms::MDNormSCD::cacheDimensionXValues ( )

private

Stores the X values from each H,K,L dimension as member variables.

Definition at line 349 of file MDNormSCD.cpp.

References m_hIdx, m_hIntegrated, m_hX, m_kIdx, m_kIntegrated, m_kX, m_lIdx, m_lIntegrated, m_lX, and m_normWS.

Referenced by exec().

◆ cacheInputs()

void Mantid::MDAlgorithms::MDNormSCD::cacheInputs ( )

private

Set up starting values for cached variables.

Definition at line 158 of file MDNormSCD.cpp.

References Mantid::API::Algorithm::getProperty(), inputEnergyMode(), m_beamDir, m_hmax, m_hmin, m_inputWS, m_kmax, m_kmin, m_lmax, m_lmin, m_samplePos, and Mantid::Kernel::normalize().

Referenced by exec().

◆ calcIntegralsForIntersections()

void Mantid::MDAlgorithms::MDNormSCD::calcIntegralsForIntersections	(	const std::vector< double > &	xValues,
		const API::MatrixWorkspace &	integrFlux,
		size_t	sp,
		std::vector< double > &	yValues
	)		const

private

Linearly interpolate between the points in integrFlux at xValues and save the results in yValues.

Parameters

xValues	:: X-values at which to interpolate
integrFlux	:: A workspace with the spectra to interpolate
sp	:: A workspace index for a spectrum in integrFlux to interpolate.
yValues	:: A vector to save the results.

Definition at line 502 of file MDNormSCD.cpp.

References Mantid::API::MatrixWorkspace::x(), and Mantid::API::MatrixWorkspace::y().

Referenced by calculateNormalization().

◆ calculateIntersections()

void Mantid::MDAlgorithms::MDNormSCD::calculateIntersections	(	std::vector< std::array< double, 4 > > &	intersections,
		const double	theta,
		const double	phi
	)

private

Calculate the points of intersection for the given detector with cuboid surrounding the detector position in HKL.

Parameters

intersections	A list of intersections in HKL space
theta	Polar angle withd detector
phi	Azimuthal angle with detector

Definition at line 578 of file MDNormSCD.cpp.

References convention, fabs, m_hIntegrated, m_hmax, m_hmin, m_hX, m_kiMax, m_kiMin, m_kIntegrated, m_kmax, m_kmin, m_kX, m_lIntegrated, m_lmax, m_lmin, m_lX, m_rubw, Mantid::Kernel::V3D::X(), Mantid::Kernel::V3D::Y(), and Mantid::Kernel::V3D::Z().

Referenced by calculateNormalization().

◆ calculateNormalization()

void Mantid::MDAlgorithms::MDNormSCD::calculateNormalization	(	const std::vector< coord_t > &	otherValues,
		const Kernel::Matrix< coord_t > &	affineTrans,
		uint16_t	expInfoIndex
	)

private

Computed the normalization for the input workspace.

Results are stored in m_normWS

Parameters

otherValues
affineTrans
expInfoIndex	current experiment info index

Definition at line 380 of file MDNormSCD.cpp.

References Mantid::Kernel::AtomicOp(), calcIntegralsForIntersections(), calculateIntersections(), Mantid::Kernel::delta, Mantid::API::Algorithm::getProperty(), Mantid::Kernel::Matrix< T >::Invert(), m_accumulate, m_beamDir, m_inputWS, m_kiMax, m_kiMin, m_normWS, m_numExptInfos, m_rubw, m_samplePos, Mantid::Kernel::Matrix< T >::multiplyPoint(), PARALLEL_CHECK_INTERRUPT_REGION, PARALLEL_END_INTERRUPT_REGION, PARALLEL_START_INTERRUPT_REGION, PRAGMA_OMP, rhs, Mantid::Kernel::threadSafe(), and Mantid::Geometry::x.

Referenced by exec().

◆ category()

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

overridevirtual

Algorithm's category for identification.

See also: Algorithm::category

Reimplemented from Mantid::API::Algorithm.

Definition at line 53 of file MDNormSCD.cpp.

◆ createNormalizationWS()

void Mantid::MDAlgorithms::MDNormSCD::createNormalizationWS ( const DataObjects::MDHistoWorkspace & dataWS )

private

Create & cached the normalization workspace.

Parameters

dataWS The binned workspace that will be used for the data

Definition at line 241 of file MDNormSCD.cpp.

References Mantid::DataObjects::MDHistoWorkspace::clone(), Mantid::API::Algorithm::getProperty(), m_accumulate, m_normWS, and tmp.

Referenced by exec().

◆ exec()

void Mantid::MDAlgorithms::MDNormSCD::exec ( )

overrideprivatevirtual

Execute the algorithm.

Implements Mantid::API::Algorithm.

Definition at line 125 of file MDNormSCD.cpp.

References binInputWS(), cacheDimensionXValues(), cacheInputs(), calculateNormalization(), convention, createNormalizationWS(), findIntergratedDimensions(), Mantid::API::Algorithm::g_log, getValuesFromOtherDimensions(), m_accumulate, m_normWS, m_numExptInfos, Mantid::API::NoNormalization, Mantid::Kernel::IPropertyManager::setProperty(), and Mantid::Kernel::Logger::warning().

◆ findIntergratedDimensions()

Kernel::Matrix< coord_t > Mantid::MDAlgorithms::MDNormSCD::findIntergratedDimensions	(	const std::vector< coord_t > &	otherDimValues,
		bool &	skipNormalization
	)

private

Checks the normalization workspace against the indices of the original dimensions.

If not found, the corresponding dimension is integrated

Parameters

otherDimValues	Values from non-HKL dimensions
skipNormalization	[InOut] Sets the flag true if normalization values are outside of original inputs

Returns: Affine trasform matrix

Definition at line 292 of file MDNormSCD.cpp.

References m_hIdx, m_hIntegrated, m_hmax, m_hmin, m_kIdx, m_kIntegrated, m_kmax, m_kmin, m_lIdx, m_lIntegrated, m_lmax, m_lmin, m_normWS, Mantid::Kernel::Matrix< T >::numCols(), and Mantid::Kernel::Matrix< T >::numRows().

Referenced by exec().

◆ getValuesFromOtherDimensions()

std::vector< coord_t > Mantid::MDAlgorithms::MDNormSCD::getValuesFromOtherDimensions	(	bool &	skipNormalization,
		uint16_t	expInfoIndex = `0`
	)		const

private

Retrieve logged values from non-HKL dimensions.

Parameters

skipNormalization	[InOut] Updated to false if any values are outside range measured by input workspace
expInfoIndex	current experiment info index

Returns: A vector of values from other dimensions to be include in normalized MD position calculation

Definition at line 261 of file MDNormSCD.cpp.

References m_inputWS, and value.

Referenced by exec().

◆ init()

void Mantid::MDAlgorithms::MDNormSCD::init ( )

overrideprivatevirtual

Initialize the algorithm's properties.

Implements Mantid::API::Algorithm.

Definition at line 67 of file MDNormSCD.cpp.

References Mantid::API::CommonBinsValidator::clone(), Mantid::API::Algorithm::declareProperty(), Mantid::MDAlgorithms::SlicingAlgorithm::getDimensionChars(), Mantid::Kernel::Direction::Input, Mantid::API::PropertyMode::Optional, Mantid::Kernel::Direction::Output, and Mantid::Kernel::Strings::toString().

◆ inputEnergyMode()

std::string Mantid::MDAlgorithms::MDNormSCD::inputEnergyMode ( ) const

private

Currently looks for the ConvertToMD algorithm in the history.

Returns: A string donating the energy transfer mode of the input workspace

Definition at line 190 of file MDNormSCD.cpp.

References history, and m_inputWS.

Referenced by cacheInputs().

◆ name()

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

overridevirtual

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

See also: Algorithm::name

Implements Mantid::API::Algorithm.

Definition at line 62 of file MDNormSCD.cpp.

◆ seeAlso()

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

inlineoverridevirtual

Function to return all of the seeAlso (these are not validated) algorithms related to this algorithm.A default implementation is provided.

Reimplemented from Mantid::API::Algorithm.

Definition at line 26 of file MDNormSCD.h.

◆ summary()

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

overridevirtual

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

See also: Algorithm::summary

Implements Mantid::API::Algorithm.

Definition at line 56 of file MDNormSCD.cpp.

◆ version()

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

overridevirtual

Algorithm's version for identification.

See also: Algorithm::version

Implements Mantid::API::Algorithm.

Definition at line 50 of file MDNormSCD.cpp.

Member Data Documentation

◆ convention

std::string Mantid::MDAlgorithms::MDNormSCD::convention

private

ki-kf for Inelastic convention; kf-ki for Crystallography convention

Definition at line 72 of file MDNormSCD.h.

Referenced by calculateIntersections(), and exec().

◆ m_accumulate

bool Mantid::MDAlgorithms::MDNormSCD::m_accumulate {false}

private

internal flag to accumulate to an existing workspace

Definition at line 74 of file MDNormSCD.h.

Referenced by calculateNormalization(), createNormalizationWS(), and exec().

◆ m_beamDir

Kernel::V3D Mantid::MDAlgorithms::MDNormSCD::m_beamDir

private

Beam direction.

Definition at line 70 of file MDNormSCD.h.

Referenced by cacheInputs(), and calculateNormalization().

◆ m_hIdx

size_t Mantid::MDAlgorithms::MDNormSCD::m_hIdx

private

index of h,k,l dimensions in the output workspaces

Definition at line 64 of file MDNormSCD.h.

Referenced by cacheDimensionXValues(), and findIntergratedDimensions().

◆ m_hIntegrated

bool Mantid::MDAlgorithms::MDNormSCD::m_hIntegrated

private

flag for integrated h,k,l dimensions

Definition at line 58 of file MDNormSCD.h.

Referenced by cacheDimensionXValues(), calculateIntersections(), and findIntergratedDimensions().

◆ m_hmax

coord_t Mantid::MDAlgorithms::MDNormSCD::m_hmax

private

Definition at line 56 of file MDNormSCD.h.

Referenced by cacheInputs(), calculateIntersections(), and findIntergratedDimensions().

◆ m_hmin

coord_t Mantid::MDAlgorithms::MDNormSCD::m_hmin

private

limits for h,k,l dimensions

Definition at line 56 of file MDNormSCD.h.

Referenced by cacheInputs(), calculateIntersections(), and findIntergratedDimensions().

◆ m_hX

std::vector<double> Mantid::MDAlgorithms::MDNormSCD::m_hX

private

cached X values along dimensions h,k,l

Definition at line 66 of file MDNormSCD.h.

Referenced by cacheDimensionXValues(), and calculateIntersections().

◆ m_inputWS

API::IMDEventWorkspace_sptr Mantid::MDAlgorithms::MDNormSCD::m_inputWS

private

Input workspace.

Definition at line 54 of file MDNormSCD.h.

Referenced by cacheInputs(), calculateNormalization(), getValuesFromOtherDimensions(), and inputEnergyMode().

◆ m_kIdx

size_t Mantid::MDAlgorithms::MDNormSCD::m_kIdx

private

Definition at line 64 of file MDNormSCD.h.

Referenced by cacheDimensionXValues(), and findIntergratedDimensions().

◆ m_kiMax

double Mantid::MDAlgorithms::MDNormSCD::m_kiMax

private

Definition at line 62 of file MDNormSCD.h.

Referenced by calculateIntersections(), and calculateNormalization().

◆ m_kiMin

double Mantid::MDAlgorithms::MDNormSCD::m_kiMin

private

limits for momentum

Definition at line 62 of file MDNormSCD.h.

Referenced by calculateIntersections(), and calculateNormalization().

◆ m_kIntegrated

bool Mantid::MDAlgorithms::MDNormSCD::m_kIntegrated

private

Definition at line 58 of file MDNormSCD.h.

Referenced by cacheDimensionXValues(), calculateIntersections(), and findIntergratedDimensions().

◆ m_kmax

coord_t Mantid::MDAlgorithms::MDNormSCD::m_kmax

private

Definition at line 56 of file MDNormSCD.h.

Referenced by cacheInputs(), calculateIntersections(), and findIntergratedDimensions().

◆ m_kmin

coord_t Mantid::MDAlgorithms::MDNormSCD::m_kmin

private

Definition at line 56 of file MDNormSCD.h.

Referenced by cacheInputs(), calculateIntersections(), and findIntergratedDimensions().

◆ m_kX

std::vector<double> Mantid::MDAlgorithms::MDNormSCD::m_kX

private

Definition at line 66 of file MDNormSCD.h.

Referenced by cacheDimensionXValues(), and calculateIntersections().

◆ m_lIdx

size_t Mantid::MDAlgorithms::MDNormSCD::m_lIdx

private

Definition at line 64 of file MDNormSCD.h.

Referenced by cacheDimensionXValues(), and findIntergratedDimensions().

◆ m_lIntegrated

bool Mantid::MDAlgorithms::MDNormSCD::m_lIntegrated

private

Definition at line 58 of file MDNormSCD.h.

Referenced by cacheDimensionXValues(), calculateIntersections(), and findIntergratedDimensions().

◆ m_lmax

coord_t Mantid::MDAlgorithms::MDNormSCD::m_lmax

private

Definition at line 56 of file MDNormSCD.h.

Referenced by cacheInputs(), calculateIntersections(), and findIntergratedDimensions().

◆ m_lmin

coord_t Mantid::MDAlgorithms::MDNormSCD::m_lmin

private

Definition at line 56 of file MDNormSCD.h.

Referenced by cacheInputs(), calculateIntersections(), and findIntergratedDimensions().

◆ m_lX

std::vector<double> Mantid::MDAlgorithms::MDNormSCD::m_lX

private

Definition at line 66 of file MDNormSCD.h.

Referenced by cacheDimensionXValues(), and calculateIntersections().

◆ m_normWS

DataObjects::MDHistoWorkspace_sptr Mantid::MDAlgorithms::MDNormSCD::m_normWS

private

Normalization workspace.

Definition at line 52 of file MDNormSCD.h.

Referenced by cacheDimensionXValues(), calculateNormalization(), createNormalizationWS(), exec(), and findIntergratedDimensions().

◆ m_numExptInfos

uint16_t Mantid::MDAlgorithms::MDNormSCD::m_numExptInfos

private

number of experiment infos

Definition at line 76 of file MDNormSCD.h.

Referenced by calculateNormalization(), and exec().

◆ m_rubw

Mantid::Kernel::DblMatrix Mantid::MDAlgorithms::MDNormSCD::m_rubw

private

(2*PiRUBW)^-1

Definition at line 60 of file MDNormSCD.h.

Referenced by calculateIntersections(), and calculateNormalization().

◆ m_samplePos

Kernel::V3D Mantid::MDAlgorithms::MDNormSCD::m_samplePos

private

Sample position.

Definition at line 68 of file MDNormSCD.h.

Referenced by cacheInputs(), and calculateNormalization().

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

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

Public Member Functions

Private Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ MDNormSCD()

Member Function Documentation

◆ binInputWS()

◆ cacheDimensionXValues()

◆ cacheInputs()

◆ calcIntegralsForIntersections()

◆ calculateIntersections()

◆ calculateNormalization()

◆ category()

◆ createNormalizationWS()

◆ exec()

◆ findIntergratedDimensions()

◆ getValuesFromOtherDimensions()

◆ init()

◆ inputEnergyMode()

◆ name()

◆ seeAlso()

◆ summary()

◆ version()

Member Data Documentation

◆ convention

◆ m_accumulate

◆ m_beamDir

◆ m_hIdx

◆ m_hIntegrated

◆ m_hmax

◆ m_hmin

◆ m_hX

◆ m_inputWS

◆ m_kIdx

◆ m_kiMax

◆ m_kiMin

◆ m_kIntegrated

◆ m_kmax

◆ m_kmin

◆ m_kX

◆ m_lIdx

◆ m_lIntegrated

◆ m_lmax

◆ m_lmin

◆ m_lX

◆ m_normWS

◆ m_numExptInfos

◆ m_rubw

◆ m_samplePos