Takes a 2D workspace and produces an output workspace containing a smoothed version of the data by selecting a number of points to define a spline for each histogram in the workspace. More...

#include <SplineSmoothing.h>

Inheritance diagram for Mantid::CurveFitting::Algorithms::SplineSmoothing:

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

const std::string	name () const override
	Algorithm's name for identification.

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.

	SplineSmoothing ()
	Constructor.

const std::string	summary () const override
	Summary of algorithms purpose.

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

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
void	addSmoothingPoints (const std::set< int > &points, const double xs, const double ys) const
	add a set of smoothing points to the spline

void	calculateDerivatives (const API::MatrixWorkspace &inputWorkspace, API::MatrixWorkspace &outputWorkspace, const int order, const size_t row) const
	calculate the derivatives for a set of points on the spline

void	calculateSmoothing (const API::MatrixWorkspace &inputWorkspace, API::MatrixWorkspace &outputWorkspace, const size_t row) const
	calculate the spline based on the smoothing points chosen

void	calculateSpectrumDerivatives (const int index, const int order)
	calculate derivatives for a single spectrum

bool	checkSmoothingAccuracy (const int start, const int end, const double ys, const double ysmooth) const
	check if the difference between smoothing points and data points is within a certain error bound

API::MatrixWorkspace_sptr	convertBinnedData (API::MatrixWorkspace_sptr workspace)
	Converts histogram data to point data later processing convert a binned workspace to point data.

void	convertToHistogram ()
	Handle converting point data back to histograms.

void	exec () override
	Execute the algorithm.

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

void	performAdditionalFitting (const API::MatrixWorkspace_sptr &ws, const int row)
	Use an existing fit function to tidy smoothing.

void	selectSmoothingPoints (const API::MatrixWorkspace &inputWorkspace, const size_t row)
	choose points to define a spline and smooth the data

API::MatrixWorkspace_sptr	setupOutputWorkspace (const API::MatrixWorkspace_sptr &inws, const int size) const
	setup an output workspace using meta data from inws and taking a number of spectra

void	smoothSpectrum (const int index)
	smooth a single spectrum of the workspace

Private Attributes
std::shared_ptr< Functions::BSpline >	m_cspline
	CubicSpline member used to perform smoothing.

API::WorkspaceGroup_sptr	m_derivativeWorkspaceGroup
	pointer to the output workspace group of derivatives

API::MatrixWorkspace_sptr	m_inputWorkspace
	pointer to the input workspace

API::MatrixWorkspace_sptr	m_inputWorkspacePointData
	pointer to the input workspace converted to point data

API::MatrixWorkspace_sptr	m_outputWorkspace
	pointer to the smoothed output workspace

const int	M_START_SMOOTH_POINTS
	number of smoothing points to start with

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::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::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::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

Takes a 2D workspace and produces an output workspace containing a smoothed version of the data by selecting a number of points to define a spline for each histogram in the workspace.

Author: Samuel Jackson, STFC

Date: 24/07/2013

Definition at line 26 of file SplineSmoothing.h.

Constructor & Destructor Documentation

◆ SplineSmoothing()

Mantid::CurveFitting::Algorithms::SplineSmoothing::SplineSmoothing ( )

Constructor.

Definition at line 30 of file SplineSmoothing.cpp.

Member Function Documentation

◆ addSmoothingPoints()

void Mantid::CurveFitting::Algorithms::SplineSmoothing::addSmoothingPoints	(	const std::set< int > &	points,
		const double *	xs,
		const double *	ys
	)		const

private

add a set of smoothing points to the spline

Redefines the spline with a new set of points.

Parameters

points	:: The indices of the x/y points used to define the spline
xs	:: The x data points from the noisy data
ys	:: The y data points for the noisy data

Definition at line 281 of file SplineSmoothing.cpp.

References m_cspline.

Referenced by selectSmoothingPoints().

◆ calculateDerivatives()

void Mantid::CurveFitting::Algorithms::SplineSmoothing::calculateDerivatives	(	const API::MatrixWorkspace &	inputWorkspace,
		API::MatrixWorkspace &	outputWorkspace,
		const int	order,
		const size_t	row
	)		const

private

calculate the derivatives for a set of points on the spline

Calculate the derivatives of the newly smoothed data using the spline Wraps CubicSpline derivative1D.

Parameters

inputWorkspace	:: The input workspace
outputWorkspace	:: The output workspace
order	:: The order of derivatives to calculate
row	:: The row of spectra to use

Definition at line 239 of file SplineSmoothing.cpp.

References m_cspline, Mantid::API::MatrixWorkspace::mutableY(), and Mantid::API::MatrixWorkspace::x().

Referenced by calculateSpectrumDerivatives().

◆ calculateSmoothing()

void Mantid::CurveFitting::Algorithms::SplineSmoothing::calculateSmoothing	(	const API::MatrixWorkspace &	inputWorkspace,
		API::MatrixWorkspace &	outputWorkspace,
		const size_t	row
	)		const

private

calculate the spline based on the smoothing points chosen

Calculate smoothing of the data using the spline Wraps CubicSpline function1D.

Parameters

inputWorkspace	:: The input workspace
outputWorkspace	:: The output workspace
row	:: The row of spectra to use

Definition at line 219 of file SplineSmoothing.cpp.

References m_cspline, Mantid::API::MatrixWorkspace::mutableY(), and Mantid::API::MatrixWorkspace::x().

Referenced by smoothSpectrum().

◆ calculateSpectrumDerivatives()

void Mantid::CurveFitting::Algorithms::SplineSmoothing::calculateSpectrumDerivatives	(	const int	index,
		const int	order
	)

private

calculate derivatives for a single spectrum

Calculate the derivatives for each spectrum in the input workspace.

Parameters

index	:: index of the spectrum
order	:: order of derivatives to calculate

Definition at line 132 of file SplineSmoothing.cpp.

References calculateDerivatives(), index, m_derivativeWorkspaceGroup, m_inputWorkspace, m_inputWorkspacePointData, and setupOutputWorkspace().

Referenced by exec().

◆ category()

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

overridevirtual

Algorithm's category for identification.

See also: Algorithm::category

Reimplemented from Mantid::API::Algorithm.

Definition at line 42 of file SplineSmoothing.cpp.

◆ checkSmoothingAccuracy()

bool Mantid::CurveFitting::Algorithms::SplineSmoothing::checkSmoothingAccuracy	(	const int	start,
		const int	end,
		const double *	ys,
		const double *	ysmooth
	)		const

private

check if the difference between smoothing points and data points is within a certain error bound

Checks if the difference of each data point between the smoothing points falls within the error tolerance.

Parameters

start	:: The index of start checking accuracy at
end	:: The index to stop checking accuracy at
ys	:: The y data points from the noisy data
ysmooth	:: The corresponding y data points defined by the spline

Returns: Boolean meaning if the values were accurate enough

Definition at line 258 of file SplineSmoothing.cpp.

References error, fabs, and Mantid::API::Algorithm::getProperty().

Referenced by selectSmoothingPoints().

◆ convertBinnedData()

MatrixWorkspace_sptr Mantid::CurveFitting::Algorithms::SplineSmoothing::convertBinnedData ( API::MatrixWorkspace_sptr workspace )

private

Converts histogram data to point data later processing convert a binned workspace to point data.

Convert a binned workspace to point data.

Uses mean of the bins as point

Parameters

workspace :: The input workspace

Returns: the converted workspace containing point data

Definition at line 190 of file SplineSmoothing.cpp.

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

Referenced by exec().

◆ convertToHistogram()

void Mantid::CurveFitting::Algorithms::SplineSmoothing::convertToHistogram ( )

private

Handle converting point data back to histograms.

Converts the output workspace back to histogram data if it was converted to point data previously.

Definition at line 205 of file SplineSmoothing.cpp.

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

Referenced by exec().

◆ exec()

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

overrideprivatevirtual

Execute the algorithm.

Implements Mantid::API::Algorithm.

Definition at line 79 of file SplineSmoothing.cpp.

References calculateSpectrumDerivatives(), convertBinnedData(), convertToHistogram(), Mantid::API::Algorithm::getProperty(), Mantid::API::Algorithm::getPropertyValue(), m_derivativeWorkspaceGroup, m_inputWorkspace, m_inputWorkspacePointData, m_outputWorkspace, Mantid::Kernel::ProgressBase::report(), Mantid::Kernel::IPropertyManager::setProperty(), setupOutputWorkspace(), and smoothSpectrum().

◆ init()

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

overrideprivatevirtual

Initialize the algorithm's properties.

Implements Mantid::API::Algorithm.

Definition at line 49 of file SplineSmoothing.cpp.

References Mantid::API::Algorithm::declareProperty(), Mantid::Kernel::Direction::Input, Mantid::API::PropertyMode::Optional, and Mantid::Kernel::Direction::Output.

◆ name()

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

overridevirtual

Algorithm's name for identification.

See also: Algorithm::name

Implements Mantid::API::Algorithm.

Definition at line 36 of file SplineSmoothing.cpp.

◆ performAdditionalFitting()

void Mantid::CurveFitting::Algorithms::SplineSmoothing::performAdditionalFitting	(	const API::MatrixWorkspace_sptr &	ws,
		const int	row
	)

private

Use an existing fit function to tidy smoothing.

Use a child fitting algorithm to tidy the smoothing.

Parameters

ws	:: The input workspace
row	:: The row of spectra to use

Definition at line 150 of file SplineSmoothing.cpp.

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

Referenced by smoothSpectrum().

◆ seeAlso()

const std::vector< std::string > Mantid::CurveFitting::Algorithms::SplineSmoothing::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 32 of file SplineSmoothing.h.

◆ selectSmoothingPoints()

void Mantid::CurveFitting::Algorithms::SplineSmoothing::selectSmoothingPoints	(	const API::MatrixWorkspace &	inputWorkspace,
		const size_t	row
	)

private

choose points to define a spline and smooth the data

Defines the points used to make the spline by iteratively creating more smoothing points until all smoothing points fall within a certain error tolerance.

Parameters

inputWorkspace	:: The input workspace containing noisy data
row	:: The row of spectra to use

Definition at line 309 of file SplineSmoothing.cpp.

References addSmoothingPoints(), checkSmoothingAccuracy(), Mantid::Kernel::delta, Mantid::API::Algorithm::getProperty(), m_cspline, M_START_SMOOTH_POINTS, Mantid::API::MatrixWorkspace::x(), and Mantid::API::MatrixWorkspace::y().

Referenced by smoothSpectrum().

◆ setupOutputWorkspace()

API::MatrixWorkspace_sptr Mantid::CurveFitting::Algorithms::SplineSmoothing::setupOutputWorkspace	(	const API::MatrixWorkspace_sptr &	inws,
		const int	size
	)		const

private

setup an output workspace using meta data from inws and taking a number of spectra

Copy the meta data for the input workspace to an output workspace and create it with the desired number of spectra.

Also labels the axis of each spectra with Yi, where i is the index

Parameters

inws	:: The input workspace as a shared pointer
size	:: The number of spectra the workspace should be created with

Returns: The pointer to the newly created workspace

Definition at line 168 of file SplineSmoothing.cpp.

References index, Mantid::Kernel::SingletonHolder< T >::Instance(), and std::to_string().

Referenced by calculateSpectrumDerivatives(), and exec().

◆ smoothSpectrum()

void Mantid::CurveFitting::Algorithms::SplineSmoothing::smoothSpectrum ( const int index )

private

smooth a single spectrum of the workspace

Smooth a single spectrum of the input workspace.

Parameters

index :: index of the spectrum to smooth

Definition at line 114 of file SplineSmoothing.cpp.

References calculateSmoothing(), index, m_cspline, m_inputWorkspace, m_inputWorkspacePointData, m_outputWorkspace, performAdditionalFitting(), and selectSmoothingPoints().

Referenced by exec().

◆ summary()

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

inlineoverridevirtual

Summary of algorithms purpose.

Implements Mantid::API::Algorithm.

Definition at line 35 of file SplineSmoothing.h.

◆ version()

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

overridevirtual

Algorithm's version for identification.

See also: Algorithm::version

Implements Mantid::API::Algorithm.

Definition at line 39 of file SplineSmoothing.cpp.

Member Data Documentation

◆ m_cspline

std::shared_ptr<Functions::BSpline> Mantid::CurveFitting::Algorithms::SplineSmoothing::m_cspline

private

CubicSpline member used to perform smoothing.

Definition at line 88 of file SplineSmoothing.h.

Referenced by addSmoothingPoints(), calculateDerivatives(), calculateSmoothing(), performAdditionalFitting(), selectSmoothingPoints(), and smoothSpectrum().

◆ m_derivativeWorkspaceGroup

API::WorkspaceGroup_sptr Mantid::CurveFitting::Algorithms::SplineSmoothing::m_derivativeWorkspaceGroup

private

pointer to the output workspace group of derivatives

Definition at line 94 of file SplineSmoothing.h.

Referenced by calculateSpectrumDerivatives(), and exec().

◆ m_inputWorkspace

API::MatrixWorkspace_sptr Mantid::CurveFitting::Algorithms::SplineSmoothing::m_inputWorkspace

private

pointer to the input workspace

Definition at line 90 of file SplineSmoothing.h.

Referenced by calculateSpectrumDerivatives(), exec(), and smoothSpectrum().

◆ m_inputWorkspacePointData

API::MatrixWorkspace_sptr Mantid::CurveFitting::Algorithms::SplineSmoothing::m_inputWorkspacePointData

private

pointer to the input workspace converted to point data

Definition at line 92 of file SplineSmoothing.h.

Referenced by calculateSpectrumDerivatives(), exec(), and smoothSpectrum().

◆ m_outputWorkspace

API::MatrixWorkspace_sptr Mantid::CurveFitting::Algorithms::SplineSmoothing::m_outputWorkspace

private

pointer to the smoothed output workspace

Definition at line 96 of file SplineSmoothing.h.

Referenced by convertToHistogram(), exec(), and smoothSpectrum().

◆ M_START_SMOOTH_POINTS

const int Mantid::CurveFitting::Algorithms::SplineSmoothing::M_START_SMOOTH_POINTS

private

number of smoothing points to start with

Definition at line 43 of file SplineSmoothing.h.

Referenced by selectSmoothingPoints().

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

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

Public Member Functions

Private Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ SplineSmoothing()

Member Function Documentation

◆ addSmoothingPoints()

◆ calculateDerivatives()

◆ calculateSmoothing()

◆ calculateSpectrumDerivatives()

◆ category()

◆ checkSmoothingAccuracy()

◆ convertBinnedData()

◆ convertToHistogram()

◆ exec()

◆ init()

◆ name()

◆ performAdditionalFitting()

◆ seeAlso()

◆ selectSmoothingPoints()

◆ setupOutputWorkspace()

◆ smoothSpectrum()

◆ summary()

◆ version()

Member Data Documentation

◆ m_cspline

◆ m_derivativeWorkspaceGroup

◆ m_inputWorkspace

◆ m_inputWorkspacePointData

◆ m_outputWorkspace

◆ M_START_SMOOTH_POINTS