Requires an estimate for the initial neutron energy which it uses to search for monitor peaks and from these calculate an accurate energy. More...

#include <GetEi2.h>

Inheritance diagram for Mantid::Algorithms::GetEi2:

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

void	exec () override
	Execute the algorithm.

	GetEi2 ()
	Default constructor.

void	init () override
	Initialize the algorithm.

const std::string	name () const override
	Algorithm's name for identification overriding a virtual method.

const std::vector< std::string >	seeAlso () const override
	Function to return all of the seeAlso algorithms related to this algorithm.

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

int	version () const override
	Algorithm's version for identification overriding a virtual method.

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::string	category () const override
	function to return a category of the algorithm.

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::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	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
double	calculateEi (const double initial_guess)
	Calculate Ei from the initial guess given.

double	calculateFirstMoment (const API::MatrixWorkspace_sptr &monitor_ws, const double prominence)
	Calculate the value of the first moment of the given spectrum.

double	calculatePeakPosition (const size_t ws_index, const double t_min, const double t_max)
	Calculate the peak position within the given window.

double	calculatePeakWidthAtHalfHeight (const API::MatrixWorkspace_sptr &data_ws, const double prominence, std::vector< double > &peak_x, std::vector< double > &peak_y, std::vector< double > &peak_e) const
	Calculate peak width.

API::MatrixWorkspace_sptr	extractSpectrum (const size_t ws_index, const double start, const double end)
	Extract the required spectrum from the input workspace.

double	getDistanceFromSource (const size_t ws_index, const API::SpectrumInfo &spectrumInfo) const
	Get the distance from the source of the detector at the workspace index given.

void	integrate (double &integral_val, double &integral_err, const HistogramData::HistogramX &x, const HistogramData::HistogramY &s, const HistogramData::HistogramE &e, const double xmin, const double xmax) const
	Integrate the point data.

API::MatrixWorkspace_sptr	rebin (const API::MatrixWorkspace_sptr &monitor_ws, const double first, const double width, const double end)
	Rebin the given workspace using the given parameters.

void	storeEi (const double ei) const
	Store the incident energy within the sample object.

Private Attributes
const double	m_binwidth_frac
	The fraction of the peak width for the new bins.

const double	m_bkgd_frac
	The fraction of the peakwidth to use in calculating background points.

bool	m_fixedei
	True if the Ei should be fixed at the guess energy.

API::MatrixWorkspace_sptr	m_input_ws
	The input workspace.

std::pair< int, double >	m_peak1_pos
	The calculated position of the first peak.

const double	m_peak_deriv
	Number of std deviations to consider a peak for the derivative.

const double	m_peak_signif
	Number of std deviations to consider a peak.

double	m_t_to_mev
	Conversion factor between time and energy.

double	m_tof_window
	The percentage deviation from the estimated peak time that defines the peak region.

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

Requires an estimate for the initial neutron energy which it uses to search for monitor peaks and from these calculate an accurate energy.

Required Properties:

InputWorkspace - The X units of this workspace must be time of flight with times in micro-seconds
Monitor1ID - The detector ID of the first monitor
Monitor2ID - The detector ID of the second monitor
EnergyEstimate - An approximate value for the typical incident energy, energy of neutrons leaving the source (meV)
IncidentEnergy - The calculated energy

Author: Martyn Gigg ISIS Rutherford Appleton Laboratory & NScD Oak Ridge National Laboratory

Date: 31/03/2010

Definition at line 48 of file GetEi2.h.

Constructor & Destructor Documentation

◆ GetEi2()

Mantid::Algorithms::GetEi2::GetEi2 ( )

Default constructor.

Default contructor.

Definition at line 41 of file GetEi2.cpp.

References Mantid::PhysicalConstants::meV, and Mantid::PhysicalConstants::NeutronMass.

Member Function Documentation

◆ calculateEi()

double Mantid::Algorithms::GetEi2::calculateEi ( const double initial_guess )

private

Calculate Ei from the initial guess given.

Calculate the incident energy of the neutrons for the input workspace on this algorithm.

Parameters

initial_guess :: A guess for value of the incident energy

Returns: The calculated incident energy

Definition at line 148 of file GetEi2.cpp.

References calculatePeakPosition(), Mantid::Kernel::Logger::debug(), Mantid::EMPTY_INT(), energy, Mantid::Kernel::Logger::error(), Mantid::API::Algorithm::g_log, getDistanceFromSource(), Mantid::API::Algorithm::getProperty(), Mantid::Kernel::Logger::information(), m_fixedei, m_input_ws, m_peak1_pos, m_t_to_mev, m_tof_window, Mantid::Kernel::Logger::notice(), Mantid::Kernel::IPropertyManager::setProperty(), std::to_string(), Mantid::Kernel::tzero, and Mantid::Kernel::Logger::warning().

Referenced by exec().

◆ calculateFirstMoment()

double Mantid::Algorithms::GetEi2::calculateFirstMoment	(	const API::MatrixWorkspace_sptr &	monitor_ws,
		const double	prominence
	)

private

Calculate the value of the first moment of the given spectrum.

Calculate the first moment of the given workspace.

Parameters

monitor_ws	:: The workspace containing a single spectrum to work on
prominence	:: The factor over the background by which a peak is to be considered a "real" peak

Returns: The calculated first moment

Definition at line 590 of file GetEi2.cpp.

References calculatePeakWidthAtHalfHeight(), and integrate().

Referenced by calculatePeakPosition().

◆ calculatePeakPosition()

double Mantid::Algorithms::GetEi2::calculatePeakPosition	(	const size_t	ws_index,
		const double	t_min,
		const double	t_max
	)

private

Calculate the peak position within the given window.

Calculate the peak position of a given TOF range within the chosen spectrum.

Parameters

ws_index	:: the wokspace index
t_min	:: the min time to consider
t_max	:: the max time to consider

Returns: the peak position

Definition at line 299 of file GetEi2.cpp.

References calculateFirstMoment(), calculatePeakWidthAtHalfHeight(), extractSpectrum(), m_binwidth_frac, Mantid::API::WorkspaceHelpers::makeDistribution(), and rebin().

Referenced by calculateEi().

◆ calculatePeakWidthAtHalfHeight()

double Mantid::Algorithms::GetEi2::calculatePeakWidthAtHalfHeight	(	const API::MatrixWorkspace_sptr &	data_ws,
		const double	prominence,
		std::vector< double > &	peak_x,
		std::vector< double > &	peak_y,
		std::vector< double > &	peak_e
	)		const

private

Calculate peak width.

Calculate the width of the peak within the given region.

Parameters

data_ws	:: The workspace containing the window around the peak
prominence	:: The factor that the peak must be above the error to count as a peak
peak_x	:: An output vector containing just the X values of the peak data
peak_y	:: An output vector containing just the Y values of the peak data
peak_e	:: An output vector containing just the E values of the peak data

Returns: The width of the peak at half height

Find data range that satisfies prominence criterion: im < ipk < ip will be

Definition at line 368 of file GetEi2.cpp.

References error, Mantid::API::Algorithm::g_log, integrate(), m_bkgd_frac, m_peak_deriv, m_peak_signif, and Mantid::Kernel::Logger::warning().

Referenced by calculateFirstMoment(), and calculatePeakPosition().

◆ category()

const std::string Mantid::Algorithms::GetEi2::category ( ) const

inlineoverridevirtual

Algorithm's category for identification overriding a virtual method.

Implements Mantid::API::IAlgorithm.

Definition at line 69 of file GetEi2.h.

◆ exec()

void Mantid::Algorithms::GetEi2::exec ( )

overridevirtual

Execute the algorithm.

Executes the algorithm.

Exceptions

out_of_range	if the peak runs off the edge of the histogram
NotFoundError	if one of the requested spectrum numbers was not found in the workspace
IndexError	if there is a problem converting spectra indexes to spectra numbers, which would imply there is a problem with the workspace
invalid_argument	if a good peak fit wasn't made or the input workspace does not have common binning

Implements Mantid::API::Algorithm.

Definition at line 117 of file GetEi2.cpp.

References calculateEi(), Mantid::EMPTY_DBL(), Mantid::API::Algorithm::getProperty(), m_fixedei, m_input_ws, m_peak1_pos, m_tof_window, Mantid::Kernel::IPropertyManager::setProperty(), and storeEi().

◆ extractSpectrum()

MatrixWorkspace_sptr Mantid::Algorithms::GetEi2::extractSpectrum	(	const size_t	ws_index,
		const double	start,
		const double	end
	)

private

Extract the required spectrum from the input workspace.

Calls CropWorkspace as a Child Algorithm and passes to it the InputWorkspace property.

Parameters

ws_index	:: the index number of the histogram to extract
start	:: the number of the first bin to include (starts counting bins at 0)
end	:: the number of the last bin to include (starts counting bins at 0)

Returns: The cropped workspace

Exceptions

out_of_range	if start, end or ws_index are set outside of the valid range for the workspace
runtime_error	if the algorithm just falls over
invalid_argument	if the input workspace does not have common binning

Definition at line 334 of file GetEi2.cpp.

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

Referenced by calculatePeakPosition().

◆ getDistanceFromSource()

double Mantid::Algorithms::GetEi2::getDistanceFromSource	(	const size_t	ws_index,
		const API::SpectrumInfo &	spectrumInfo
	)		const

private

Get the distance from the source of the detector at the workspace index given.

Gets the distance between the source and detectors whose workspace index is passed.

Parameters

ws_index	:: The workspace index of the detector
spectrumInfo	:: A spectrum info object for the input workspace

Returns: The distance between the source and the given detector (or DetectorGroup)

Exceptions

runtime_error if there is a problem

Definition at line 273 of file GetEi2.cpp.

References Mantid::Kernel::Logger::debug(), Mantid::API::SpectrumInfo::detector(), Mantid::API::Algorithm::g_log, Mantid::API::SpectrumInfo::hasDetectors(), Mantid::Kernel::Logger::is(), m_input_ws, and Mantid::API::SpectrumInfo::position().

Referenced by calculateEi().

◆ init()

void Mantid::Algorithms::GetEi2::init ( )

overridevirtual

Initialize the algorithm.

Implements Mantid::API::Algorithm.

Definition at line 49 of file GetEi2.cpp.

References Mantid::API::Algorithm::declareProperty(), Mantid::EMPTY_DBL(), Mantid::EMPTY_INT(), Mantid::Kernel::Direction::InOut, Mantid::Kernel::Direction::Input, and Mantid::Kernel::Direction::Output.

◆ integrate()

void Mantid::Algorithms::GetEi2::integrate	(	double &	integral_val,
		double &	integral_err,
		const HistogramData::HistogramX &	x,
		const HistogramData::HistogramY &	s,
		const HistogramData::HistogramE &	e,
		const double	xmin,
		const double	xmax
	)		const

private

Integrate the point data.

Integrate a point data set.

Parameters

integral_val	:: The result of the integral
integral_err	:: The error value
x	:: The X values
s	:: The Y values
e	:: The E values
xmin	:: The minimum value for the integration
xmax	:: The maximum value for the integration

Definition at line 636 of file GetEi2.cpp.

References Mantid::Geometry::x.

Referenced by calculateFirstMoment(), and calculatePeakWidthAtHalfHeight().

◆ name()

const std::string Mantid::Algorithms::GetEi2::name ( ) const

inlineoverridevirtual

Algorithm's name for identification overriding a virtual method.

Implements Mantid::API::Algorithm.

Definition at line 58 of file GetEi2.h.

◆ rebin()

API::MatrixWorkspace_sptr Mantid::Algorithms::GetEi2::rebin	(	const API::MatrixWorkspace_sptr &	monitor_ws,
		const double	first,
		const double	width,
		const double	end
	)

private

Rebin the given workspace using the given parameters.

Rebin the workspace using the given bin widths.

Parameters

monitor_ws	:: *
first	:: The minimum value for the new bin range
width	:: The new bin width
end	:: The maximum value for the new bin range

Returns: The rebinned workspace

Definition at line 614 of file GetEi2.cpp.

References Mantid::API::Algorithm::createChildAlgorithm().

Referenced by calculatePeakPosition().

◆ seeAlso()

const std::vector< std::string > Mantid::Algorithms::GetEi2::seeAlso ( ) const

inlineoverridevirtual

Function to return all of the seeAlso algorithms related to this algorithm.

Implements Mantid::API::IAlgorithm.

Definition at line 67 of file GetEi2.h.

◆ storeEi()

void Mantid::Algorithms::GetEi2::storeEi ( const double ei ) const

private

Store the incident energy within the sample object.

Store the value of Ei wihin the log data on the Sample object.

Parameters

ei	:: The value of the incident energy of the neutron

Definition at line 722 of file GetEi2.cpp.

References Mantid::Kernel::Direction::Input, and m_input_ws.

Referenced by exec().

◆ summary()

const std::string Mantid::Algorithms::GetEi2::summary ( ) const

inlineoverridevirtual

Summary of algorithms purpose.

Implements Mantid::API::Algorithm.

Definition at line 60 of file GetEi2.h.

◆ version()

int Mantid::Algorithms::GetEi2::version ( ) const

inlineoverridevirtual

Algorithm's version for identification overriding a virtual method.

Implements Mantid::API::Algorithm.

Definition at line 66 of file GetEi2.h.

Member Data Documentation

◆ m_binwidth_frac

const double Mantid::Algorithms::GetEi2::m_binwidth_frac

private

The fraction of the peak width for the new bins.

Definition at line 113 of file GetEi2.h.

Referenced by calculatePeakPosition().

◆ m_bkgd_frac

const double Mantid::Algorithms::GetEi2::m_bkgd_frac

private

The fraction of the peakwidth to use in calculating background points.

Definition at line 115 of file GetEi2.h.

Referenced by calculatePeakWidthAtHalfHeight().

◆ m_fixedei

bool Mantid::Algorithms::GetEi2::m_fixedei

private

True if the Ei should be fixed at the guess energy.

Definition at line 102 of file GetEi2.h.

Referenced by calculateEi(), and exec().

◆ m_input_ws

API::MatrixWorkspace_sptr Mantid::Algorithms::GetEi2::m_input_ws

private

The input workspace.

Definition at line 98 of file GetEi2.h.

Referenced by calculateEi(), exec(), extractSpectrum(), getDistanceFromSource(), and storeEi().

◆ m_peak1_pos

std::pair<int, double> Mantid::Algorithms::GetEi2::m_peak1_pos

private

The calculated position of the first peak.

Definition at line 100 of file GetEi2.h.

Referenced by calculateEi(), and exec().

◆ m_peak_deriv

const double Mantid::Algorithms::GetEi2::m_peak_deriv

private

Number of std deviations to consider a peak for the derivative.

Definition at line 111 of file GetEi2.h.

Referenced by calculatePeakWidthAtHalfHeight().

◆ m_peak_signif

const double Mantid::Algorithms::GetEi2::m_peak_signif

private

Number of std deviations to consider a peak.

Definition at line 109 of file GetEi2.h.

Referenced by calculatePeakWidthAtHalfHeight().

◆ m_t_to_mev

double Mantid::Algorithms::GetEi2::m_t_to_mev

private

Conversion factor between time and energy.

Definition at line 104 of file GetEi2.h.

Referenced by calculateEi().

◆ m_tof_window

double Mantid::Algorithms::GetEi2::m_tof_window

private

The percentage deviation from the estimated peak time that defines the peak region.

Definition at line 107 of file GetEi2.h.

Referenced by calculateEi(), and exec().

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

Framework/Algorithms/inc/MantidAlgorithms/GetEi2.h
Framework/Algorithms/src/GetEi2.cpp

Public Member Functions

Private Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ GetEi2()

Member Function Documentation

◆ calculateEi()

◆ calculateFirstMoment()

◆ calculatePeakPosition()

◆ calculatePeakWidthAtHalfHeight()

◆ category()

◆ exec()

◆ extractSpectrum()

◆ getDistanceFromSource()

◆ init()

◆ integrate()

◆ name()

◆ rebin()

◆ seeAlso()

◆ storeEi()

◆ summary()

◆ version()

Member Data Documentation

◆ m_binwidth_frac

◆ m_bkgd_frac

◆ m_fixedei

◆ m_input_ws

◆ m_peak1_pos

◆ m_peak_deriv

◆ m_peak_signif

◆ m_t_to_mev

◆ m_tof_window