SCDCalibratePanels2 : Using input peakworkspace with indexation results to calibrate each individual panels. More...

#include <SCDCalibratePanels2.h>

Inheritance diagram for Mantid::Crystal::SCDCalibratePanels2:

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

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

const std::vector< std::string >	seeAlso () const override
	Extra help info. More...

const std::string	summary () const override
	Summary of algorithm's purpose. More...

int	version () const override
	Algorithm's version, overriding a virtual method. More...

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

	Algorithm (const Algorithm &)=delete

Algorithm &	operator= (const Algorithm &)=delete

	~Algorithm () override
	Virtual destructor. More...

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

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

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. More...

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

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

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

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

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

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

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

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

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

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. More...

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

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

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

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

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

void	cancel () override
	Raises the cancel flag. More...

bool	getCancel () const
	Returns the cancellation state. More...

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

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

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

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

int	getLoggingOffset () const override
	returns the logging priority offset More...

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

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

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

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

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

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

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. More...

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

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. More...

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) More...

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

virtual bool	processGroups ()
	Process WorkspaceGroup inputs. More...

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

const Parallel::Communicator &	communicator () const
	Returns a const reference to the (MPI) communicator of the algorithm. More...

void	setCommunicator (const Parallel::Communicator &communicator)
	Sets the (MPI) communicator of the algorithm. More...

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

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

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

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. More...

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. More...

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. More...

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

void	clear () override
	Clears all properties under management. More...

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

void	filterByTime (const Types::Core::DateAndTime &, const Types::Core::DateAndTime &) override

void	splitByTime (std::vector< Kernel::SplittingInterval > &, std::vector< Kernel::PropertyManager * >) const override

void	filterByProperty (const Kernel::TimeSeriesProperty< bool > &, const std::vector< std::string > &) override

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

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

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

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. More...

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. More...

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. More...

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). More...

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). More...

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. More...

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

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

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

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

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

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

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)

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)

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. More...

virtual void	addObserver (const Poco::AbstractObserver &observer) const =0
	Add an observer for a notification. More...

virtual const std::string	alias () const =0
	function to return any aliases of the algorithm. More...

virtual const std::string	aliasDeprecated () const =0
	Expiration date (in ISO8601 format) for the algorithm aliases. Empty if no expiration date. More...

virtual void	cancel ()=0
	Raises the cancel flag. More...

virtual const std::vector< std::string >	categories () const =0
	Function to return all of the categories that contain this algorithm. More...

virtual const std::string	category () const =0
	function to return a category of the algorithm. More...

virtual const std::string	categorySeparator () const =0
	Function to return the separator token for the category string. More...

virtual void	enableHistoryRecordingForChild (const bool on)=0
	If true history will be recorded for a child. More...

virtual bool	execute ()=0
	System execution. More...

virtual void	executeAsChildAlg ()=0
	Execute as a Child Algorithm, with try/catch. More...

virtual Poco::ActiveResult< bool >	executeAsync ()=0
	Asynchronous execution of the algorithm. More...

virtual ExecutionState	executionState () const =0
	Gets the current execution state. More...

virtual AlgorithmID	getAlgorithmID () const =0
	Algorithm ID. More...

virtual bool	getAlgStartupLogging () const =0
	get the state of Logging of start and end messages More...

virtual bool	getAlwaysStoreInADS () const =0
	To query whether the output is stored in the analysis data service. More...

virtual int	getLoggingOffset () const =0
	returns the logging priority offset More...

virtual const std::string	helpURL () const =0
	function to return an optional URL for documentation. More...

virtual void	initialize ()=0
	Initialization method invoked by the framework. More...

virtual bool	isChild () const =0
	To query whether algorithm is a child. Default to false. More...

virtual bool	isExecuted () const =0
	Check whether the algorithm has been executed sucessfully. More...

virtual bool	isInitialized () const =0
	Check whether the algorithm is initialized properly. More...

virtual bool	isLogging () const =0
	returns the status of logging, True = enabled More...

virtual bool	isReadyForGarbageCollection () const =0
	True if the algorithm is ready for garbage collection. More...

virtual bool	isRunning () const =0
	True if the algorithm is running. More...

virtual const std::string	name () const =0
	function to return a name of the algorithm, must be overridden in all algorithms More...

virtual void	removeObserver (const Poco::AbstractObserver &observer) const =0
	Remove an observer. More...

virtual ResultState	resultState () const =0
	Gets the currnet result State. More...

virtual const std::vector< std::string >	seeAlso () const =0
	Function to return all of the seeAlso algorithms related to this algorithm. More...

virtual void	setAlgStartupLogging (const bool enabled)=0
	disable Logging of start and end messages More...

virtual void	setAlwaysStoreInADS (const bool doStore)=0
	Set whether we always store the output in the analysis data service. More...

virtual void	setChild (const bool isChild)=0
	To set whether algorithm is a child. More...

virtual void	setChildEndProgress (const double endProgress) const =0
	setting the child end progress More...

virtual void	setChildStartProgress (const double startProgress) const =0
	setting the child start progress More...

virtual void	setLogging (const bool value)=0
	Logging can be disabled by passing a value of false. More...

virtual void	setLoggingOffset (const int value)=0
	gets the logging priority offset More...

virtual void	setRethrows (const bool rethrow)=0
	To query whether an algorithm should rethrow exceptions when executing. More...

virtual const std::string	summary () const =0
	function returns a summary message that will be displayed in the default GUI, and in the help. More...

virtual ::Json::Value	toJson () const =0
	Serialize an algorithm as Json. More...

virtual std::string	toString () const =0
	Serialize an algorithm. More...

virtual std::map< std::string, std::string >	validateInputs ()=0
	Method checking errors on ALL the inputs, before execution. More...

virtual int	version () const =0
	function to return a version of the algorithm, must be overridden in all algorithms More...

Algorithms As Methods
Public Member Functions inherited from Mantid::Kernel::IPropertyManager
virtual ::Json::Value	asJson (bool withDefaultValues=false) const =0
	Return the property manager serialized as a json object. More...

virtual std::string	asString (bool withDefaultValues=false) const =0
	Return the property manager serialized as a string. More...

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

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). More...

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. More...

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). More...

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. More...

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. More...

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. More...

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

virtual bool	existsProperty (const std::string &name) const =0
	Checks whether the named property is already in the list of managed property. More...

virtual void	filterByProperty (const TimeSeriesProperty< bool > &, const std::vector< std::string > &)=0

virtual void	filterByTime (const Types::Core::DateAndTime &, const Types::Core::DateAndTime &)=0

virtual std::vector< std::string >	getDeclaredPropertyNames () const noexcept=0
	Get the list of managed property names. More...

virtual Property *	getPointerToProperty (const std::string &name) const =0
	Get a pointer to property by name. More...

virtual const std::vector< Property * > &	getProperties () const =0
	Get the list of managed properties. More...

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

virtual TypedValue	getProperty (const std::string &name) const =0
	Get the value of a property. More...

virtual std::string	getPropertyValue (const std::string &name) const =0
	Get the value of a property as a string. More...

virtual size_t	propertyCount () const =0
	Returns the number of properties under management. More...

virtual void	removeProperty (const std::string &name, const bool delproperty=true)=0
	Removes the property from management. More...

virtual void	resetProperties ()=0

virtual void	setProperties (const ::Json::Value &jsonValue, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >(), bool createMissing=false)=0
	Sets all the properties from a json object. More...

virtual void	setProperties (const std::string &propertiesJson, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >(), bool createMissing=false)=0
	Sets all properties from a string. More...

virtual void	setPropertiesWithString (const std::string &propertiesString, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >())=0
	Sets all the declared properties from a string. More...

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

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

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

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. More...

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

virtual void	setPropertyOrdinal (const int &index, const std::string &value)=0
	Set the value of a property by an index. More...

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

virtual void	setPropertyValue (const std::string &name, const std::string &value)=0
	Sets property value from a string. More...

virtual void	setPropertyValueFromJson (const std::string &name, const Json::Value &value)=0
	Sets property value from a Json::Value. More...

virtual void	splitByTime (std::vector< SplittingInterval > &, std::vector< PropertyManager * >) const =0

virtual std::unique_ptr< Property >	takeProperty (const size_t index)=0
	Removes the property from management and returns a pointer to it. More...

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

virtual bool	validateProperties () const =0
	Validates all the properties in the collection. More...

virtual	~IPropertyManager ()=default

Private Member Functions
void	adjustComponent (double dx, double dy, double dz, double drx, double dry, double drz, double scalex, double scaley, const std::string &cmptName, Mantid::API::IPeaksWorkspace_sptr &pws)
	Helper functions for adjusting components. More...

std::vector< double >	captureTOF (const Mantid::API::IPeaksWorkspace_sptr &pws)
	Cache TOF equivalent to those measured from experiment. More...

void	exec () override
	Overwrites Algorithm method. More...

Mantid::API::ITableWorkspace_sptr	generateCalibrationTable (std::shared_ptr< Geometry::Instrument > &instrument, const Geometry::ParameterMap &pmap)
	Generate a Table workspace to store the calibration results. More...

void	getBankNames (const Mantid::API::IPeaksWorkspace_sptr &pws)
	Private function for getting names of banks to be calibrated. More...

Mantid::API::MatrixWorkspace_sptr	getIdealQSampleAsHistogram1D (const Mantid::API::IPeaksWorkspace_sptr &pws)
	Helper function that calculates the ideal qSample based on integer HKL. More...

std::pair< double, double >	getRectangularDetectorScaleFactors (std::shared_ptr< Geometry::Instrument > &instrument, const std::string &bankname, const Geometry::ParameterMap &pmap)
	Retrieve "scalex" and "scaley" from a workspace's parameter map if the component is rectangular detector. More...

void	init () override
	Overwrites Algorithm method. Does nothing at present. More...

void	optimizeBanks (Mantid::API::IPeaksWorkspace_sptr pws, const Mantid::API::IPeaksWorkspace_sptr &pws_original, const bool &docalibsize, const double &sizesearchradius, const bool &fixdetxyratio)
	Private function for calibrating banks. More...

void	optimizeL1 (Mantid::API::IPeaksWorkspace_sptr pws, Mantid::API::IPeaksWorkspace_sptr pws_original)
	Private function for calibrating L1. More...

void	optimizeSamplePos (Mantid::API::IPeaksWorkspace_sptr pws, Mantid::API::IPeaksWorkspace_sptr pws_original)
	Private function for fine tunning sample position. More...

void	optimizeT0 (Mantid::API::IPeaksWorkspace_sptr pws, Mantid::API::IPeaksWorkspace_sptr pws_original)
	Private function for calibrating T0. More...

void	parseLatticeConstant (const Mantid::API::IPeaksWorkspace_sptr &pws)
	Private function dedicated for parsing lattice constant. More...

void	profileBanks (Mantid::API::IPeaksWorkspace_sptr &pws, const Mantid::API::IPeaksWorkspace_sptr &pws_original)
	Profiling obj func along six degree of freedom, which can be very slow. More...

void	profileL1 (Mantid::API::IPeaksWorkspace_sptr &pws, Mantid::API::IPeaksWorkspace_sptr pws_original)
	Profile related functions. More...

void	profileL1T0 (Mantid::API::IPeaksWorkspace_sptr &pws, Mantid::API::IPeaksWorkspace_sptr pws_original)
	Profile obj func along L1 and T0 axis. More...

void	profileT0 (Mantid::API::IPeaksWorkspace_sptr &pws, Mantid::API::IPeaksWorkspace_sptr pws_original)
	Profile obj func along T0 axis. More...

Mantid::API::IPeaksWorkspace_sptr	removeUnindexedPeaks (const Mantid::API::IPeaksWorkspace_sptr &pws)
	Remove unindexed peaks from workspace. More...

void	saveCalibrationTable (const std::string &FileName, Mantid::API::ITableWorkspace_sptr &tws)
	Save the calibration table to a CSV file. More...

void	saveIsawDetCal (const std::string &filename, boost::container::flat_set< std::string > &AllBankName, std::shared_ptr< Geometry::Instrument > &instrument, double T0)
	Save to ISAW type det calibration output for backward compatiblity. More...

void	saveXmlFile (const std::string &FileName, const boost::container::flat_set< std::string > &AllBankNames, std::shared_ptr< Geometry::Instrument > &instrument, const Geometry::ParameterMap &pmap)
	Save to xml file for Mantid to load by manual crafting. More...

Mantid::API::IPeaksWorkspace_sptr	selectPeaksByBankName (const Mantid::API::IPeaksWorkspace_sptr &pws, const std::string &bankname, const std::string &outputwsn)
	Helper function for selecting peaks based on given bank name. More...

void	updateUBMatrix (const Mantid::API::IPeaksWorkspace_sptr &pws)
	Update the UB matrix. More...

std::map< std::string, std::string >	validateInputs () override
	Private validator for inputs. More...

Private Attributes
const std::vector< std::string >	calibrationTableColumnNames

const std::vector< std::string >	calibrationTableColumnTypes

bool	LOGCHILDALG {true}

double	m_a
	unique vars for a given instance of calibration More...

double	m_alpha

double	m_b

boost::container::flat_set< std::string >	m_BankNames

double	m_beta

double	m_c

double	m_gamma

double	m_T0 = 0.0

int	maxFitIterations {500}

std::string	mCalibBankName {""}

Mantid::API::ITableWorkspace_sptr	mCaliTable

const int	MINIMUM_PEAKS_PER_BANK {6}

const double	PI {3.1415926535897932384626433832795028841971693993751058209}

Static Private Attributes
static constexpr double	Tolerance = std::numeric_limits<double>::epsilon()

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. More...

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

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

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

Protected Member Functions inherited from Mantid::API::Algorithm
void	exec (Parallel::ExecutionMode executionMode)
	Runs the algorithm with the specified execution mode. More...

virtual void	execDistributed ()
	Runs the algorithm in `distributed` execution mode. More...

virtual void	execMasterOnly ()
	Runs the algorithm in `master-only` execution mode. More...

virtual Parallel::ExecutionMode	getParallelExecutionMode (const std::map< std::string, Parallel::StorageMode > &storageModes) const
	Get correct execution mode based on input storage modes for an MPI run. More...

virtual const std::string	workspaceMethodOnTypes () const
	Returns a semi-colon separated list of workspace types to attach this algorithm. More...

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

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

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

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

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

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

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

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

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

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

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

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

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

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. More...

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)

Protected Member Functions inherited from Mantid::Kernel::IPropertyManager
virtual void	afterPropertySet (const std::string &)
	Override this method to perform a custom action right after a property was set. More...

virtual void	clear ()=0
	Clears all properties under management. More...

virtual Property *	getPointerToPropertyOrdinal (const int &index) const =0
	Get a property by an index. More...

template<typename T >
T	getValue (const std::string &name) const
	Templated method to get the value of a property. More...

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. More...

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

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

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

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

Kernel::Logger	m_log
	Logger for this algorithm. More...

Kernel::Logger &	g_log

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

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

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

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

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

Detailed Description

SCDCalibratePanels2 : Using input peakworkspace with indexation results to calibrate each individual panels.

The target calibration properties include:

T0: micro seconds time for proton to travel from reactor to target to generate neutron
L1: meters distance between target and sample
L2: meters (also known as z_shift) distance between sample and the center of each panel
Rot: degrees Euler angles (xyz )

Spirit successor of ISAW and its reincarnation: SCDCalibratePanels

Definition at line 36 of file SCDCalibratePanels2.h.

Member Function Documentation

◆ adjustComponent()

void Mantid::Crystal::SCDCalibratePanels2::adjustComponent	(	double	dx,
		double	dy,
		double	dz,
		double	drx,
		double	dry,
		double	drz,
		double	scalex,
		double	scaley,
		const std::string &	cmptName,
		Mantid::API::IPeaksWorkspace_sptr &	pws
	)

private

Helper functions for adjusting components.

Definition at line 1050 of file SCDCalibratePanels2.cpp.

References Mantid::API::Algorithm::createChildAlgorithm(), Mantid::EMPTY_DBL(), Mantid::API::Algorithm::g_log, LOGCHILDALG, and Mantid::Kernel::Logger::notice().

Referenced by optimizeBanks(), optimizeL1(), and optimizeSamplePos().

◆ captureTOF()

std::vector< double > Mantid::Crystal::SCDCalibratePanels2::captureTOF ( const Mantid::API::IPeaksWorkspace_sptr & pws )

private

Cache TOF equivalent to those measured from experiment.

Capture TOFs that are equivalent to thoes measured from experiment.

This step should be carried out after the indexation (if required)

Parameters

pws

Definition at line 925 of file SCDCalibratePanels2.cpp.

Referenced by optimizeBanks(), optimizeL1(), optimizeSamplePos(), optimizeT0(), profileBanks(), profileL1(), profileL1T0(), and profileT0().

◆ category()

const std::string Mantid::Crystal::SCDCalibratePanels2::category ( ) const

inlineoverridevirtual

Algorithm's category, overriding a virtual method.

Reimplemented from Mantid::API::Algorithm.

Definition at line 52 of file SCDCalibratePanels2.h.

◆ exec()

void Mantid::Crystal::SCDCalibratePanels2::exec ( )

overrideprivatevirtual

Overwrites Algorithm method.

execute calibration

Implements Mantid::API::Algorithm.

Definition at line 275 of file SCDCalibratePanels2.cpp.

References Mantid::API::Algorithm::g_log, generateCalibrationTable(), getBankNames(), Mantid::API::Algorithm::getProperty(), Mantid::API::Algorithm::getPropertyValue(), LOGCHILDALG, m_BankNames, m_T0, maxFitIterations, mCalibBankName, Mantid::Kernel::Logger::notice(), optimizeBanks(), optimizeL1(), optimizeSamplePos(), optimizeT0(), parseLatticeConstant(), profileBanks(), profileL1(), profileL1T0(), profileT0(), removeUnindexedPeaks(), saveCalibrationTable(), saveIsawDetCal(), saveXmlFile(), Mantid::Kernel::IPropertyManager::setProperty(), updateUBMatrix(), and Mantid::Kernel::Logger::warning().

◆ generateCalibrationTable()

ITableWorkspace_sptr Mantid::Crystal::SCDCalibratePanels2::generateCalibrationTable	(	std::shared_ptr< Geometry::Instrument > &	instrument,
		const Geometry::ParameterMap &	pmap
	)

private

Generate a Table workspace to store the calibration results.

Definition at line 1116 of file SCDCalibratePanels2.cpp.

References calibrationTableColumnNames, calibrationTableColumnTypes, Mantid::API::Algorithm::g_log, Mantid::Kernel::Quat::getAngleAxis(), getRectangularDetectorScaleFactors(), Mantid::Kernel::SingletonHolder< T >::Instance(), m_BankNames, Mantid::Kernel::Logger::notice(), Mantid::Kernel::IPropertyManager::setProperty(), Mantid::Kernel::V3D::X(), Mantid::Kernel::V3D::Y(), and Mantid::Kernel::V3D::Z().

Referenced by exec().

◆ getBankNames()

void Mantid::Crystal::SCDCalibratePanels2::getBankNames ( const Mantid::API::IPeaksWorkspace_sptr & pws )

private

Private function for getting names of banks to be calibrated.

Gather names for bank for calibration.

Parameters

pws

Definition at line 940 of file SCDCalibratePanels2.cpp.

References m_BankNames.

Referenced by exec().

◆ getIdealQSampleAsHistogram1D()

MatrixWorkspace_sptr Mantid::Crystal::SCDCalibratePanels2::getIdealQSampleAsHistogram1D ( const Mantid::API::IPeaksWorkspace_sptr & pws )

private

Helper function that calculates the ideal qSample based on integer HKL.

Return a 1D histogram consists of ideal qSample calculated from integer HKL directly.

Parameters

pws

Returns: MatrixWorkspace_sptr

Definition at line 982 of file SCDCalibratePanels2.cpp.

References Mantid::DataObjects::create(), Mantid::Kernel::SingletonHolder< T >::Instance(), and PI.

Referenced by optimizeBanks(), optimizeL1(), optimizeSamplePos(), optimizeT0(), and profileBanks().

◆ getRectangularDetectorScaleFactors()

std::pair< double, double > Mantid::Crystal::SCDCalibratePanels2::getRectangularDetectorScaleFactors	(	std::shared_ptr< Geometry::Instrument > &	instrument,
		const std::string &	bankname,
		const Geometry::ParameterMap &	pmap
	)

private

Retrieve "scalex" and "scaley" from a workspace's parameter map if the component is rectangular detector.

The default cases for the return value includes

the bank is not a rectagular detector OR
the component does not have "scalex" and "scaley" in parameter map

Parameters

instrument	:: Instrument geometry
bankname	:: bank name (component name)
pmap	:: parameter map from the same workspace where instrument is belonged to

Returns: :: pair as scalex and scaley. Default is (1., 1.)

Definition at line 1773 of file SCDCalibratePanels2.cpp.

Referenced by generateCalibrationTable(), optimizeBanks(), and saveXmlFile().

◆ init()

void Mantid::Crystal::SCDCalibratePanels2::init ( )

overrideprivatevirtual

Overwrites Algorithm method. Does nothing at present.

Initialization.

Implements Mantid::API::Algorithm.

Definition at line 57 of file SCDCalibratePanels2.cpp.

References Mantid::EMPTY_DBL(), Mantid::Kernel::Direction::Input, Mantid::Kernel::IS_DEFAULT, Mantid::Kernel::IS_EQUAL_TO, Mantid::API::FileProperty::OptionalSave, and Mantid::Kernel::Direction::Output.

◆ name()

const std::string Mantid::Crystal::SCDCalibratePanels2::name ( ) const

inlineoverridevirtual

Algorithm's name for identification.

Implements Mantid::API::Algorithm.

Definition at line 39 of file SCDCalibratePanels2.h.

◆ optimizeBanks()

void Mantid::Crystal::SCDCalibratePanels2::optimizeBanks	(	Mantid::API::IPeaksWorkspace_sptr	pws,
		const Mantid::API::IPeaksWorkspace_sptr &	pws_original,
		const bool &	docalibsize,
		const double &	sizesearchradius,
		const bool &	fixdetxyratio
	)

private

Private function for calibrating banks.

Calibrate the position and rotation of each Bank, one at a time.

Parameters

pws
pws_original
docalibsize	:: flag to calibrate rectangular detector size
sizesearchradius	:: searching radius for detector size calibration
fixdetxyratio,:	flag to tie the rectangular detector

Definition at line 525 of file SCDCalibratePanels2.cpp.

References adjustComponent(), captureTOF(), Mantid::API::Algorithm::createChildAlgorithm(), Mantid::EMPTY_DBL(), Mantid::API::Algorithm::g_log, getIdealQSampleAsHistogram1D(), Mantid::API::Algorithm::getProperty(), getRectangularDetectorScaleFactors(), Mantid::Kernel::Logger::information(), m_BankNames, m_T0, maxFitIterations, mCalibBankName, MINIMUM_PEAKS_PER_BANK, Mantid::Kernel::Logger::notice(), PARALLEL_CHECK_INTERRUPT_REGION, PARALLEL_END_INTERRUPT_REGION, PARALLEL_FOR_IF, PARALLEL_START_INTERRUPT_REGION, selectPeaksByBankName(), Mantid::Kernel::threadSafe(), and Tolerance.

Referenced by exec().

◆ optimizeL1()

void Mantid::Crystal::SCDCalibratePanels2::optimizeL1	(	Mantid::API::IPeaksWorkspace_sptr	pws,
		Mantid::API::IPeaksWorkspace_sptr	pws_original
	)

private

Private function for calibrating L1.

----------------------------------------— /// Core functions for Calibration&Optimizatoin /// ----------------------------------------— ///

Parameters

pws
pws_original

Definition at line 429 of file SCDCalibratePanels2.cpp.

References adjustComponent(), captureTOF(), Mantid::API::Algorithm::createChildAlgorithm(), Mantid::EMPTY_DBL(), Mantid::API::Algorithm::g_log, getIdealQSampleAsHistogram1D(), Mantid::API::Algorithm::getProperty(), m_T0, and Mantid::Kernel::Logger::notice().

Referenced by exec().

◆ optimizeSamplePos()

void Mantid::Crystal::SCDCalibratePanels2::optimizeSamplePos	(	Mantid::API::IPeaksWorkspace_sptr	pws,
		Mantid::API::IPeaksWorkspace_sptr	pws_original
	)

private

Private function for fine tunning sample position.

fine tuning sample position to better match QSample

Parameters

pws
pws_original

Definition at line 790 of file SCDCalibratePanels2.cpp.

References adjustComponent(), captureTOF(), Mantid::API::Algorithm::createChildAlgorithm(), Mantid::EMPTY_DBL(), Mantid::API::Algorithm::g_log, getIdealQSampleAsHistogram1D(), Mantid::API::Algorithm::getProperty(), m_T0, and Mantid::Kernel::Logger::notice().

Referenced by exec().

◆ optimizeT0()

void Mantid::Crystal::SCDCalibratePanels2::optimizeT0	(	Mantid::API::IPeaksWorkspace_sptr	pws,
		Mantid::API::IPeaksWorkspace_sptr	pws_original
	)

private

Private function for calibrating T0.

adjusting the deltaT0 to match the qSample_calculated and qSameple_measured

Note: this function currently only returns dT0=0, and the reason is still unkown.

Parameters

pws
pws_original

Definition at line 728 of file SCDCalibratePanels2.cpp.

References captureTOF(), Mantid::API::Algorithm::createChildAlgorithm(), Mantid::API::Algorithm::g_log, getIdealQSampleAsHistogram1D(), Mantid::API::Algorithm::getProperty(), m_T0, and Mantid::Kernel::Logger::notice().

Referenced by exec().

◆ parseLatticeConstant()

void Mantid::Crystal::SCDCalibratePanels2::parseLatticeConstant ( const Mantid::API::IPeaksWorkspace_sptr & pws )

private

Private function dedicated for parsing lattice constant.

-------------— /// helper functions /// -------------— ///

get lattice constants from either inputs or the input peak workspace

Definition at line 850 of file SCDCalibratePanels2.cpp.

References Mantid::Geometry::UnitCell::a(), Mantid::Geometry::UnitCell::alpha(), Mantid::Geometry::UnitCell::b(), Mantid::Geometry::UnitCell::beta(), Mantid::Geometry::UnitCell::c(), Mantid::EMPTY_DBL(), Mantid::Geometry::UnitCell::gamma(), Mantid::API::Algorithm::getProperty(), m_a, m_alpha, m_b, m_beta, m_c, and m_gamma.

Referenced by exec().

◆ profileBanks()

void Mantid::Crystal::SCDCalibratePanels2::profileBanks	(	Mantid::API::IPeaksWorkspace_sptr &	pws,
		const Mantid::API::IPeaksWorkspace_sptr &	pws_original
	)

private

Profiling obj func along six degree of freedom, which can be very slow.

Parameters

pws
pws_original

Definition at line 1480 of file SCDCalibratePanels2.cpp.

References captureTOF(), Mantid::API::Algorithm::g_log, getIdealQSampleAsHistogram1D(), Mantid::API::Algorithm::getProperty(), m_BankNames, MINIMUM_PEAKS_PER_BANK, Mantid::Kernel::Logger::notice(), PARALLEL_CHECK_INTERRUPT_REGION, PARALLEL_END_INTERRUPT_REGION, PARALLEL_FOR_IF, PARALLEL_START_INTERRUPT_REGION, PI, selectPeaksByBankName(), and Mantid::Kernel::threadSafe().

Referenced by exec().

◆ profileL1()

void Mantid::Crystal::SCDCalibratePanels2::profileL1	(	Mantid::API::IPeaksWorkspace_sptr &	pws,
		Mantid::API::IPeaksWorkspace_sptr	pws_original
	)

private

Profile related functions.

Profile obj func along L1 axis.

Parameters

pws
pws_original

Definition at line 1398 of file SCDCalibratePanels2.cpp.

References captureTOF(), Mantid::API::Algorithm::g_log, Mantid::API::Algorithm::getProperty(), Mantid::Kernel::Logger::notice(), and PI.

Referenced by exec().

◆ profileL1T0()

void Mantid::Crystal::SCDCalibratePanels2::profileL1T0	(	Mantid::API::IPeaksWorkspace_sptr &	pws,
		Mantid::API::IPeaksWorkspace_sptr	pws_original
	)

private

Profile obj func along L1 and T0 axis.

Parameters

pws
pws_original

Definition at line 1687 of file SCDCalibratePanels2.cpp.

References captureTOF(), Mantid::API::Algorithm::g_log, Mantid::API::Algorithm::getProperty(), Mantid::Kernel::Logger::notice(), and PI.

Referenced by exec().

◆ profileT0()

void Mantid::Crystal::SCDCalibratePanels2::profileT0	(	Mantid::API::IPeaksWorkspace_sptr &	pws,
		Mantid::API::IPeaksWorkspace_sptr	pws_original
	)

private

Profile obj func along T0 axis.

Parameters

pws
pws_original

Definition at line 1609 of file SCDCalibratePanels2.cpp.

References captureTOF(), Mantid::API::Algorithm::g_log, Mantid::API::Algorithm::getProperty(), Mantid::Kernel::Logger::notice(), and PI.

Referenced by exec().

◆ removeUnindexedPeaks()

IPeaksWorkspace_sptr Mantid::Crystal::SCDCalibratePanels2::removeUnindexedPeaks ( const Mantid::API::IPeaksWorkspace_sptr & pws )

private

Remove unindexed peaks from workspace.

Parameters

pws

Returns: IPeaksWorkspace_sptr

Definition at line 905 of file SCDCalibratePanels2.cpp.

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

Referenced by exec().

◆ saveCalibrationTable()

void Mantid::Crystal::SCDCalibratePanels2::saveCalibrationTable	(	const std::string &	FileName,
		Mantid::API::ITableWorkspace_sptr &	tws
	)

private

Save the calibration table to a CSV file.

Save the CORELLI calibration table into a CSV file.

Parameters

FileName
tws

Definition at line 1381 of file SCDCalibratePanels2.cpp.

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

Referenced by exec().

◆ saveIsawDetCal()

void Mantid::Crystal::SCDCalibratePanels2::saveIsawDetCal	(	const std::string &	filename,
		boost::container::flat_set< std::string > &	AllBankName,
		std::shared_ptr< Geometry::Instrument > &	instrument,
		double	T0
	)

private

Save to ISAW type det calibration output for backward compatiblity.

Really this is the operator SaveIsawDetCal but only the results of the given banks are saved.

L1 and T0 are also saved.

Parameters

filename	-The name of the DetCal file to save the results to
AllBankName	-the set of the NewInstrument names of the banks(panels)
instrument	-The instrument with the correct panel geometries and initial path length
T0	-The time offset from the DetCal file

Definition at line 1344 of file SCDCalibratePanels2.cpp.

References Mantid::DataObjects::create(), Mantid::API::Algorithm::createChildAlgorithm(), Mantid::API::Algorithm::g_log, Mantid::API::Algorithm::getProperty(), Mantid::Kernel::SingletonHolder< T >::Instance(), Mantid::Kernel::Logger::notice(), and Mantid::Kernel::Logger::warning().

Referenced by exec().

◆ saveXmlFile()

void Mantid::Crystal::SCDCalibratePanels2::saveXmlFile	(	const std::string &	FileName,
		const boost::container::flat_set< std::string > &	AllBankNames,
		std::shared_ptr< Geometry::Instrument > &	instrument,
		const Geometry::ParameterMap &	pmap
	)

private

Save to xml file for Mantid to load by manual crafting.

Saves the new instrument to an xml file that can be used with the LoadParameterFile Algorithm.

If the filename is empty, nothing gets done.

Parameters

FileName	The filename to save this information to
AllBankNames	The names of the banks in each group whose values are to be saved to the file
instrument	The instrument with the new values for the banks in Groups
pmap	:: parameter map from workspace

Definition at line 1182 of file SCDCalibratePanels2.cpp.

References Mantid::API::Algorithm::g_log, Mantid::Kernel::Quat::getEulerAngles(), getRectangularDetectorScaleFactors(), m_T0, Mantid::Kernel::Logger::notice(), Mantid::Kernel::V3D::X(), Mantid::Kernel::V3D::Y(), and Mantid::Kernel::V3D::Z().

Referenced by exec().

◆ seeAlso()

const std::vector< std::string > Mantid::Crystal::SCDCalibratePanels2::seeAlso ( ) const

inlineoverridevirtual

Extra help info.

Reimplemented from Mantid::API::Algorithm.

Definition at line 55 of file SCDCalibratePanels2.h.

◆ selectPeaksByBankName()

IPeaksWorkspace_sptr Mantid::Crystal::SCDCalibratePanels2::selectPeaksByBankName	(	const Mantid::API::IPeaksWorkspace_sptr &	pws,
		const std::string &	bankname,
		const std::string &	outputwsn
	)

private

Helper function for selecting peaks based on given bank name.

Select peaks with give bankname.

Parameters

pws
bankname
outputwsn

Returns: DataObjects::PeaksWorkspace_sptr

Definition at line 960 of file SCDCalibratePanels2.cpp.

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

Referenced by optimizeBanks(), and profileBanks().

◆ summary()

const std::string Mantid::Crystal::SCDCalibratePanels2::summary ( ) const

inlineoverridevirtual

Summary of algorithm's purpose.

Implements Mantid::API::Algorithm.

Definition at line 42 of file SCDCalibratePanels2.h.

◆ updateUBMatrix()

void Mantid::Crystal::SCDCalibratePanels2::updateUBMatrix ( const Mantid::API::IPeaksWorkspace_sptr & pws )

private

Update the UB matrix.

update UB matrix embeded in the peakworkspace using lattice constants and redo the peak indexation afterwards

Parameters

pws

Definition at line 878 of file SCDCalibratePanels2.cpp.

References Mantid::API::Algorithm::createChildAlgorithm(), LOGCHILDALG, m_a, m_alpha, m_b, m_beta, m_c, and m_gamma.

Referenced by exec().

◆ validateInputs()

std::map< std::string, std::string > Mantid::Crystal::SCDCalibratePanels2::validateInputs ( void )

overrideprivatevirtual

Private validator for inputs.

validate inputs

Returns: std::map<std::string, std::string>

Reimplemented from Mantid::API::Algorithm.

Definition at line 245 of file SCDCalibratePanels2.cpp.

References calibrationTableColumnNames, calibrationTableColumnTypes, Mantid::EMPTY_DBL(), and Mantid::API::Algorithm::getProperty().

◆ version()

int Mantid::Crystal::SCDCalibratePanels2::version ( ) const

inlineoverridevirtual

Algorithm's version, overriding a virtual method.

Implements Mantid::API::Algorithm.

Definition at line 49 of file SCDCalibratePanels2.h.

Member Data Documentation

◆ calibrationTableColumnNames

const std::vector<std::string> Mantid::Crystal::SCDCalibratePanels2::calibrationTableColumnNames

private

Initial value:

{
      "ComponentName",    "Xposition",        "Yposition",     "Zposition", "XdirectionCosine",
      "YdirectionCosine", "ZdirectionCosine", "RotationAngle", "ScaleX",    "ScaleY"}

Definition at line 144 of file SCDCalibratePanels2.h.

Referenced by generateCalibrationTable(), and validateInputs().

◆ calibrationTableColumnTypes

const std::vector<std::string> Mantid::Crystal::SCDCalibratePanels2::calibrationTableColumnTypes

private

Initial value:

{"str", "double", "double", "double", "double",

"double", "double", "double", "double", "double"}

Definition at line 147 of file SCDCalibratePanels2.h.

Referenced by generateCalibrationTable(), and validateInputs().

◆ LOGCHILDALG

bool Mantid::Crystal::SCDCalibratePanels2::LOGCHILDALG {true}

private

Definition at line 136 of file SCDCalibratePanels2.h.

Referenced by adjustComponent(), exec(), removeUnindexedPeaks(), selectPeaksByBankName(), and updateUBMatrix().

◆ m_a

double Mantid::Crystal::SCDCalibratePanels2::m_a

private

unique vars for a given instance of calibration

Definition at line 134 of file SCDCalibratePanels2.h.

Referenced by parseLatticeConstant(), and updateUBMatrix().

◆ m_alpha

double Mantid::Crystal::SCDCalibratePanels2::m_alpha

private

Definition at line 134 of file SCDCalibratePanels2.h.

Referenced by parseLatticeConstant(), and updateUBMatrix().

◆ m_b

double Mantid::Crystal::SCDCalibratePanels2::m_b

private

Definition at line 134 of file SCDCalibratePanels2.h.

Referenced by parseLatticeConstant(), and updateUBMatrix().

◆ m_BankNames

boost::container::flat_set<std::string> Mantid::Crystal::SCDCalibratePanels2::m_BankNames

private

Definition at line 150 of file SCDCalibratePanels2.h.

Referenced by exec(), generateCalibrationTable(), getBankNames(), optimizeBanks(), and profileBanks().

◆ m_beta

double Mantid::Crystal::SCDCalibratePanels2::m_beta

private

Definition at line 134 of file SCDCalibratePanels2.h.

Referenced by parseLatticeConstant(), and updateUBMatrix().

◆ m_c

double Mantid::Crystal::SCDCalibratePanels2::m_c

private

Definition at line 134 of file SCDCalibratePanels2.h.

Referenced by parseLatticeConstant(), and updateUBMatrix().

◆ m_gamma

double Mantid::Crystal::SCDCalibratePanels2::m_gamma

private

Definition at line 134 of file SCDCalibratePanels2.h.

Referenced by parseLatticeConstant(), and updateUBMatrix().

◆ m_T0

double Mantid::Crystal::SCDCalibratePanels2::m_T0 = 0.0

private

Definition at line 135 of file SCDCalibratePanels2.h.

Referenced by exec(), optimizeBanks(), optimizeL1(), optimizeSamplePos(), optimizeT0(), and saveXmlFile().

◆ maxFitIterations

int Mantid::Crystal::SCDCalibratePanels2::maxFitIterations {500}

private

Definition at line 137 of file SCDCalibratePanels2.h.

Referenced by exec(), and optimizeBanks().

◆ mCalibBankName

std::string Mantid::Crystal::SCDCalibratePanels2::mCalibBankName {""}

private

Definition at line 139 of file SCDCalibratePanels2.h.

Referenced by exec(), and optimizeBanks().

◆ mCaliTable

Mantid::API::ITableWorkspace_sptr Mantid::Crystal::SCDCalibratePanels2::mCaliTable

private

Definition at line 151 of file SCDCalibratePanels2.h.

◆ MINIMUM_PEAKS_PER_BANK

const int Mantid::Crystal::SCDCalibratePanels2::MINIMUM_PEAKS_PER_BANK {6}

private

Definition at line 138 of file SCDCalibratePanels2.h.

Referenced by optimizeBanks(), and profileBanks().

◆ PI

const double Mantid::Crystal::SCDCalibratePanels2::PI {3.1415926535897932384626433832795028841971693993751058209}

private

Definition at line 140 of file SCDCalibratePanels2.h.

Referenced by getIdealQSampleAsHistogram1D(), profileBanks(), profileL1(), profileL1T0(), and profileT0().

◆ Tolerance

constexpr double Mantid::Crystal::SCDCalibratePanels2::Tolerance = std::numeric_limits<double>::epsilon()

staticconstexprprivate

Definition at line 141 of file SCDCalibratePanels2.h.

Referenced by optimizeBanks().

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

Framework/Crystal/inc/MantidCrystal/SCDCalibratePanels2.h
Framework/Crystal/src/SCDCalibratePanels2.cpp

Public Member Functions

Private Member Functions

Private Attributes

Static Private Attributes

Additional Inherited Members

Detailed Description

Member Function Documentation

◆ adjustComponent()

◆ captureTOF()

◆ category()

◆ exec()

◆ generateCalibrationTable()

◆ getBankNames()

◆ getIdealQSampleAsHistogram1D()

◆ getRectangularDetectorScaleFactors()

◆ init()

◆ name()

◆ optimizeBanks()

◆ optimizeL1()

◆ optimizeSamplePos()

◆ optimizeT0()

◆ parseLatticeConstant()

◆ profileBanks()

◆ profileL1()

◆ profileL1T0()

◆ profileT0()

◆ removeUnindexedPeaks()

◆ saveCalibrationTable()

◆ saveIsawDetCal()

◆ saveXmlFile()

◆ seeAlso()

◆ selectPeaksByBankName()

◆ summary()

◆ updateUBMatrix()

◆ validateInputs()

◆ version()

Member Data Documentation

◆ calibrationTableColumnNames

◆ calibrationTableColumnTypes

◆ LOGCHILDALG

◆ m_a

◆ m_alpha

◆ m_b

◆ m_BankNames

◆ m_beta

◆ m_c

◆ m_gamma

◆ m_T0

◆ maxFitIterations

◆ mCalibBankName

◆ mCaliTable

◆ MINIMUM_PEAKS_PER_BANK

◆ PI

◆ Tolerance