Saves a focused data set into a three column GSAS format containing X_i, Y_i*step, and E_i*step. More...

#include <SaveGSS.h>

Inheritance diagram for Mantid::DataHandling::SaveGSS:

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

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

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. More...

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

int	version () const override
	Algorithm's version. 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
bool	areAllDetectorsValid () const
	Determines if all spectra have detectors. More...

void	exec () override
	Execution code. More...

void	generateBankData (std::stringstream &outBuf, size_t specIndex, const std::string &outputFormat, const std::vector< int > &slog_xye_precisions) const
	Turns the data associated with this spectra into a string stream. More...

void	generateBankHeader (std::stringstream &out, const API::SpectrumInfo &spectrumInfo, size_t specIndex) const
	Generates the bank header and returns this as a string stream. More...

void	generateGSASBuffer (size_t numOutFiles, size_t numOutSpectra)
	Generates the output which will be written to the GSAS file. More...

void	generateInstrumentHeader (std::stringstream &out, double l1) const
	Generates the instrument header and returns this as a string stream. More...

void	generateOutFileNames (size_t numberOfOutFiles)
	Generates the filename(s) and paths to write to and stores in member var. More...

void	getLogValue (std::stringstream &out, const API::Run &runInfo, const std::string &name, const std::string &failsafeValue="UNKNOWN") const
	Returns the log value in a GSAS format as a string stream. More...

void	init () override
	Initialisation code. More...

bool	isInstrumentValid () const
	Returns if the input workspace instrument is valid. More...

void	openFileStream (const std::string &outFilePath, std::ofstream &outStream)
	Opens a new file stream at the path specified. More...

void	processUserSpecifiedHeaders ()
	Process input user-specified headers. More...

void	setOtherProperties (IAlgorithm *alg, const std::string &propertyName, const std::string &propertyValue, int periodNum) override
	sets non workspace properties for the algorithm More...

std::map< std::string, std::string >	validateInputs () override
	Validates the user input and warns / throws on bad conditions. More...

void	writeBufferToFile (size_t numOutFiles, size_t numSpectra)
	Writes the current buffer to the user specified file path. More...

void	writeRALF_ALTdata (std::stringstream &out, const int bank, const HistogramData::Histogram &histo) const
	Write out the data in RALF - ALT format. More...

void	writeRALF_XYEdata (const int bank, const bool MultiplyByBinWidth, std::stringstream &out, const HistogramData::Histogram &histo) const
	Write out the data in RALF - FXYE format. More...

void	writeRALFHeader (std::stringstream &out, int bank, const HistogramData::Histogram &histo) const

void	writeSLOGdata (const size_t ws_index, const int bank, const bool MultiplyByBinWidth, std::stringstream &out, const HistogramData::Histogram &histo, const std::vector< int > &xye_precision) const
	Write out the data in SLOG format. More...

Private Attributes
bool	m_allDetectorsValid {false}
	Indicates whether all spectra have valid detectors. More...

API::MatrixWorkspace_const_sptr	m_inputWS
	Workspace. More...

std::vector< std::string >	m_outFileNames {}
	The output filename(s) More...

std::vector< std::unique_ptr< std::stringstream > >	m_outputBuffer {}
	The output buffer. More...

bool	m_overwrite_std_bank_header
	flag to overwrite standard GSAS bank header More...

bool	m_overwrite_std_gsas_header
	flag to overwrite standard GSAS header More...

std::unique_ptr< API::Progress >	m_progress {nullptr}
	Holds pointer to progress bar. More...

std::vector< std::string >	m_user_specified_bank_headers
	User specified bank header. More...

std::vector< std::string >	m_user_specified_gsas_header
	User specified header string. More...

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

	~SerialAlgorithm ()=default

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 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...

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

Saves a focused data set into a three column GSAS format containing X_i, Y_i*step, and E_i*step.

Exclusively for the crystallography package GSAS and data needs to be in time-of-flight For data where the focusing routine has generated several spectra (for example, multi-bank instruments), the option is provided for saving all spectra into a single file, separated by headers, or into several files that will be named "workspaceName_"+spectra_number.

Required properties:

InputWorkspace - The workspace name to save.
Filename - The filename for output

Optional properties:

SplitFiles - Option for splitting into N files for workspace with N-spectra
Append - Append to Filename, if it already exists (default: true).
Bank - The bank number of the first spectrum (default: 1)

Author: Laurent Chapon, ISIS Facility, Rutherford Appleton Laboratory

Date: 04/03/2009

Definition at line 56 of file SaveGSS.h.

Member Function Documentation

◆ areAllDetectorsValid()

bool Mantid::DataHandling::SaveGSS::areAllDetectorsValid ( ) const

private

Determines if all spectra have detectors.

Returns if each spectra contains a valid detector and implicitly if the instrument is valid.

Returns: :: True if every spectra has a detector. Else false

Definition at line 243 of file SaveGSS.cpp.

References Mantid::API::Algorithm::g_log, isInstrumentValid(), m_inputWS, PARALLEL_FOR_NO_WSP_CHECK, and Mantid::Kernel::Logger::warning().

Referenced by exec().

◆ category()

const std::string Mantid::DataHandling::SaveGSS::category ( ) const

inlineoverridevirtual

Algorithm's category for identification.

Reimplemented from Mantid::API::Algorithm.

Definition at line 69 of file SaveGSS.h.

◆ exec()

void Mantid::DataHandling::SaveGSS::exec ( )

overrideprivatevirtual

Execution code.

Implements Mantid::API::Algorithm.

Definition at line 185 of file SaveGSS.cpp.

References areAllDetectorsValid(), generateGSASBuffer(), generateOutFileNames(), Mantid::API::Algorithm::getProperty(), isInstrumentValid(), m_allDetectorsValid, m_inputWS, m_outputBuffer, m_progress, processUserSpecifiedHeaders(), Mantid::Geometry::split(), and writeBufferToFile().

◆ generateBankData()

void Mantid::DataHandling::SaveGSS::generateBankData	(	std::stringstream &	outBuf,
		size_t	specIndex,
		const std::string &	outputFormat,
		const std::vector< int > &	slog_xye_precisions
	)		const

private

Turns the data associated with this spectra into a string stream.

Generates a string stream in GSAS format containing the data for the specified bank from the workspace.

This can either be in RALF or SLOG format.

Parameters

outBuf	:: The string stream to write to
specIndex	:: The index of the bank to convert into
outputFormat	:: output format
slog_xye_precisions	:: the precision of output XYE for SLOG data only a string stream

Definition at line 283 of file SaveGSS.cpp.

References Mantid::API::Algorithm::getProperty(), Mantid::API::Algorithm::getPropertyValue(), m_inputWS, writeRALF_ALTdata(), writeRALF_XYEdata(), and writeSLOGdata().

Referenced by generateGSASBuffer().

◆ generateBankHeader()

void Mantid::DataHandling::SaveGSS::generateBankHeader	(	std::stringstream &	out,
		const API::SpectrumInfo &	spectrumInfo,
		size_t	specIndex
	)		const

private

Generates the bank header and returns this as a string stream.

Generates the bank header (which precedes bank data) for the spectra index specified.

Parameters

out	:: The stream to write to
spectrumInfo	:: The input workspace spectrum info object
specIndex	:: The bank index to generate a header for

Definition at line 323 of file SaveGSS.cpp.

References Mantid::Kernel::difc, Mantid::API::SpectrumInfo::diffractometerConstants(), Mantid::API::SpectrumInfo::l1(), Mantid::API::SpectrumInfo::l2(), Mantid::Kernel::l2, m_allDetectorsValid, Mantid::API::SpectrumInfo::twoTheta(), and Mantid::Kernel::twoTheta.

Referenced by generateGSASBuffer().

◆ generateGSASBuffer()

void Mantid::DataHandling::SaveGSS::generateGSASBuffer	(	size_t	numOutFiles,
		size_t	numOutSpectra
	)

private

Generates the output which will be written to the GSAS file.

Generates the GSAS file and populates the output buffer with the data to be written to the file(s) in subsequent methods.

Parameters

numOutFiles	:: The number of file to be written
numOutSpectra	:: The number of spectra per file to be written

Definition at line 344 of file SaveGSS.cpp.

References generateBankData(), generateBankHeader(), generateInstrumentHeader(), Mantid::API::Algorithm::getProperty(), Mantid::API::Algorithm::getPropertyValue(), index, m_allDetectorsValid, m_inputWS, m_outFileNames, m_outputBuffer, m_progress, and PARALLEL_FOR_NO_WSP_CHECK.

Referenced by exec().

◆ generateInstrumentHeader()

void Mantid::DataHandling::SaveGSS::generateInstrumentHeader	(	std::stringstream &	out,
		double	l1
	)		const

private

Generates the instrument header and returns this as a string stream.

Creates the file header information, which should be at the top of each GSAS output file from the given workspace.

Parameters

out	:: The stringstream to write the header to
l1	:: Value for the moderator to sample distance

Returns: :: A string stream containing the bank header details to be written to the start of the file

Definition at line 403 of file SaveGSS.cpp.

References getLogValue(), Mantid::API::LogManager::getProperty(), Mantid::API::Algorithm::getProperty(), Mantid::API::Algorithm::getPropertyValue(), Mantid::API::LogManager::hasProperty(), m_inputWS, m_overwrite_std_gsas_header, m_user_specified_gsas_header, and Mantid::Kernel::Property::value().

Referenced by generateGSASBuffer().

◆ generateOutFileNames()

void Mantid::DataHandling::SaveGSS::generateOutFileNames ( size_t numberOfOutFiles )

private

Generates the filename(s) and paths to write to and stores in member var.

Generates the out filename(s).

If only one file is specified this is the user specified filename. However when >1 file is required (in split mode) generates the new file name as 'name-n.ext' (where n is the current bank). This is stored as a member variable

Parameters

numberOfOutFiles :: The number of output files required

Definition at line 500 of file SaveGSS.cpp.

References Mantid::API::Algorithm::g_log, Mantid::API::Algorithm::getProperty(), m_outFileNames, std::to_string(), and Mantid::Kernel::Logger::warning().

Referenced by exec().

◆ getLogValue()

void Mantid::DataHandling::SaveGSS::getLogValue	(	std::stringstream &	out,
		const API::Run &	runInfo,
		const std::string &	name,
		const std::string &	failsafeValue = `"UNKNOWN"`
	)		const

private

Returns the log value in a GSAS format as a string stream.

Gets the value from a RunInfo property (i.e., log) and turns it into a string stream.

If the property is unknown by default UNKNOWN is written. However an alternative value can be specified to be written out.

Parameters

out	:: The stream to write to
runInfo	:: Reference to the associated runInfo
name	:: Name of the property to use
failsafeValue	:: The value to use if the property cannot be found. Defaults to 'UNKNOWN'

Definition at line 552 of file SaveGSS.cpp.

References Mantid::API::LogManager::getProperty(), Mantid::Kernel::TimeSeriesProperty< TYPE >::getStatistics(), Mantid::API::LogManager::hasProperty(), Mantid::Kernel::TimeSeriesPropertyStatistics::mean, and name().

Referenced by generateInstrumentHeader().

◆ init()

void Mantid::DataHandling::SaveGSS::init ( )

overrideprivatevirtual

Initialisation code.

Implements Mantid::API::Algorithm.

Definition at line 117 of file SaveGSS.cpp.

References Mantid::API::Algorithm::declareProperty(), Mantid::Kernel::Direction::Input, Mantid::Kernel::IS_EQUAL_TO, Mantid::API::FileProperty::Save, and Mantid::Kernel::IPropertyManager::setPropertySettings().

◆ isInstrumentValid()

bool Mantid::DataHandling::SaveGSS::isInstrumentValid ( ) const

private

Returns if the input workspace instrument is valid.

Returns: :: True if the instrument is valid, else false

Definition at line 590 of file SaveGSS.cpp.

References m_inputWS.

Referenced by areAllDetectorsValid(), and exec().

◆ name()

const std::string Mantid::DataHandling::SaveGSS::name ( ) const

inlineoverridevirtual

Algorithm's name.

Implements Mantid::API::Algorithm.

Definition at line 59 of file SaveGSS.h.

Referenced by getLogValue().

◆ openFileStream()

void Mantid::DataHandling::SaveGSS::openFileStream	(	const std::string &	outFilePath,
		std::ofstream &	outStream
	)

private

Opens a new file stream at the path specified.

Attempts to open an output stream at the user specified path.

This uses the append property to determine whether to append or overwrite the file at the given path. The caller is responsible for closing to stream when finished.

Parameters

outFilePath	:: The full path of the file to open a stream out
outStream	:: The stream to open at the specified file

Exceptions

:	If the fail bit is set on the out stream. Additionally logs the system reported error as a Mantid error.

Definition at line 614 of file SaveGSS.cpp.

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

Referenced by writeBufferToFile().

◆ processUserSpecifiedHeaders()

void Mantid::DataHandling::SaveGSS::processUserSpecifiedHeaders ( )

private

Process input user-specified headers.

process user specified headers

SaveGSS::processUserSpecifiedHeaders

Definition at line 218 of file SaveGSS.cpp.

References Mantid::API::Algorithm::getProperty(), m_overwrite_std_bank_header, m_overwrite_std_gsas_header, m_user_specified_bank_headers, and m_user_specified_gsas_header.

Referenced by exec().

◆ seeAlso()

const std::vector< std::string > Mantid::DataHandling::SaveGSS::seeAlso ( ) const

inlineoverridevirtual

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

Reimplemented from Mantid::API::Algorithm.

Definition at line 65 of file SaveGSS.h.

◆ setOtherProperties()

void Mantid::DataHandling::SaveGSS::setOtherProperties	(	IAlgorithm *	alg,
		const std::string &	propertyName,
		const std::string &	propertyValue,
		int	periodNum
	)

overrideprivatevirtual

sets non workspace properties for the algorithm

Ensures that when a workspace group is passed as output to this workspace everything is saved to one file and the bank number increments for each group member.

Parameters

alg	:: Pointer to the algorithm
propertyName	:: Name of the property
propertyValue	:: Value of the property
periodNum	:: Effectively a counter through the group members

Reimplemented from Mantid::API::Algorithm.

Definition at line 645 of file SaveGSS.cpp.

References Mantid::API::Algorithm::setOtherProperties(), Mantid::Kernel::IPropertyManager::setProperty(), and Mantid::Kernel::IPropertyManager::setPropertyValue().

◆ summary()

const std::string Mantid::DataHandling::SaveGSS::summary ( ) const

inlineoverridevirtual

Summary of algorithms purpose.

Implements Mantid::API::Algorithm.

Definition at line 61 of file SaveGSS.h.

◆ validateInputs()

std::map< std::string, std::string > Mantid::DataHandling::SaveGSS::validateInputs ( void )

overrideprivatevirtual

Validates the user input and warns / throws on bad conditions.

Validates the user input is matches certain constraints in length and type and logs a warning or throws depending on whether we can continue.

Exceptions

:	If for any reason we cannot run the algorithm

Reimplemented from Mantid::API::Algorithm.

Definition at line 668 of file SaveGSS.cpp.

References Mantid::API::Algorithm::getProperty(), Mantid::Geometry::split(), and std::to_string().

◆ version()

int Mantid::DataHandling::SaveGSS::version ( ) const

inlineoverridevirtual

Algorithm's version.

Implements Mantid::API::Algorithm.

Definition at line 64 of file SaveGSS.h.

◆ writeBufferToFile()

void Mantid::DataHandling::SaveGSS::writeBufferToFile	(	size_t	numOutFiles,
		size_t	numSpectra
	)

private

Writes the current buffer to the user specified file path.

Writes all the spectra to the file(s) from the buffer to the list of output file paths.

Parameters

numOutFiles	:: The number of files to be written
numSpectra	:: The number of spectra per file to write

Exceptions

:	If the file writing fails at all

Definition at line 712 of file SaveGSS.cpp.

References error, Mantid::Kernel::Logger::error(), Mantid::API::Algorithm::g_log, index, m_outFileNames, m_outputBuffer, openFileStream(), PARALLEL_CHECK_INTERRUPT_REGION, PARALLEL_END_INTERRUPT_REGION, PARALLEL_FOR_NO_WSP_CHECK, and PARALLEL_START_INTERRUPT_REGION.

Referenced by exec().

◆ writeRALF_ALTdata()

void Mantid::DataHandling::SaveGSS::writeRALF_ALTdata	(	std::stringstream &	out,
		const int	bank,
		const HistogramData::Histogram &	histo
	)		const

private

Write out the data in RALF - ALT format.

Definition at line 764 of file SaveGSS.cpp.

References writeRALFHeader().

Referenced by generateBankData().

◆ writeRALF_XYEdata()

void Mantid::DataHandling::SaveGSS::writeRALF_XYEdata	(	const int	bank,
		const bool	MultiplyByBinWidth,
		std::stringstream &	out,
		const HistogramData::Histogram &	histo
	)		const

private

Write out the data in RALF - FXYE format.

Definition at line 810 of file SaveGSS.cpp.

References PARALLEL_FOR_NO_WSP_CHECK, and writeRALFHeader().

Referenced by generateBankData().

◆ writeRALFHeader()

void Mantid::DataHandling::SaveGSS::writeRALFHeader	(	std::stringstream &	out,
		int	bank,
		const HistogramData::Histogram &	histo
	)		const

private

Definition at line 746 of file SaveGSS.cpp.

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

Referenced by writeRALF_ALTdata(), and writeRALF_XYEdata().

◆ writeSLOGdata()

void Mantid::DataHandling::SaveGSS::writeSLOGdata	(	const size_t	ws_index,
		const int	bank,
		const bool	MultiplyByBinWidth,
		std::stringstream &	out,
		const HistogramData::Histogram &	histo,
		const std::vector< int > &	xye_precision
	)		const

private

Write out the data in SLOG format.

write slog data

SaveGSS::writeSLOGdata

Parameters

ws_index	:: workspace index for the spectrum to be written. It is essential for using user-specified bank header
bank
MultiplyByBinWidth
out
histo
xye_precision

Definition at line 854 of file SaveGSS.cpp.

References Mantid::Kernel::Logger::debug(), Mantid::Kernel::Logger::error(), Mantid::API::Algorithm::g_log, m_overwrite_std_bank_header, m_user_specified_bank_headers, PARALLEL_FOR_NO_WSP_CHECK, and std::to_string().

Referenced by generateBankData().

Member Data Documentation

◆ m_allDetectorsValid

bool Mantid::DataHandling::SaveGSS::m_allDetectorsValid {false}

private

Indicates whether all spectra have valid detectors.

Definition at line 141 of file SaveGSS.h.

Referenced by exec(), generateBankHeader(), and generateGSASBuffer().

◆ m_inputWS

API::MatrixWorkspace_const_sptr Mantid::DataHandling::SaveGSS::m_inputWS

private

Workspace.

Definition at line 134 of file SaveGSS.h.

Referenced by areAllDetectorsValid(), exec(), generateBankData(), generateGSASBuffer(), generateInstrumentHeader(), and isInstrumentValid().

◆ m_outFileNames

std::vector<std::string> Mantid::DataHandling::SaveGSS::m_outFileNames {}

private

The output filename(s)

Definition at line 139 of file SaveGSS.h.

Referenced by generateGSASBuffer(), generateOutFileNames(), and writeBufferToFile().

◆ m_outputBuffer

std::vector<std::unique_ptr<std::stringstream> > Mantid::DataHandling::SaveGSS::m_outputBuffer {}

private

The output buffer.

This is either n spectra in one file, or n files with 1 spectra

Definition at line 137 of file SaveGSS.h.

Referenced by exec(), generateGSASBuffer(), and writeBufferToFile().

◆ m_overwrite_std_bank_header

bool Mantid::DataHandling::SaveGSS::m_overwrite_std_bank_header

private

flag to overwrite standard GSAS bank header

Definition at line 151 of file SaveGSS.h.

Referenced by processUserSpecifiedHeaders(), and writeSLOGdata().

◆ m_overwrite_std_gsas_header

bool Mantid::DataHandling::SaveGSS::m_overwrite_std_gsas_header

private

flag to overwrite standard GSAS header

Definition at line 147 of file SaveGSS.h.

Referenced by generateInstrumentHeader(), and processUserSpecifiedHeaders().

◆ m_progress

std::unique_ptr<API::Progress> Mantid::DataHandling::SaveGSS::m_progress {nullptr}

private

Holds pointer to progress bar.

Definition at line 143 of file SaveGSS.h.

Referenced by exec(), and generateGSASBuffer().

◆ m_user_specified_bank_headers

std::vector<std::string> Mantid::DataHandling::SaveGSS::m_user_specified_bank_headers

private

User specified bank header.

Definition at line 149 of file SaveGSS.h.

Referenced by processUserSpecifiedHeaders(), and writeSLOGdata().

◆ m_user_specified_gsas_header

std::vector<std::string> Mantid::DataHandling::SaveGSS::m_user_specified_gsas_header

private

User specified header string.

Definition at line 145 of file SaveGSS.h.

Referenced by generateInstrumentHeader(), and processUserSpecifiedHeaders().

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

Framework/DataHandling/inc/MantidDataHandling/SaveGSS.h
Framework/DataHandling/src/SaveGSS.cpp

Public Member Functions

Private Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Member Function Documentation

◆ areAllDetectorsValid()

◆ category()

◆ exec()

◆ generateBankData()

◆ generateBankHeader()

◆ generateGSASBuffer()

◆ generateInstrumentHeader()

◆ generateOutFileNames()

◆ getLogValue()

◆ init()

◆ isInstrumentValid()

◆ name()

◆ openFileStream()

◆ processUserSpecifiedHeaders()

◆ seeAlso()

◆ setOtherProperties()

◆ summary()

◆ validateInputs()

◆ version()

◆ writeBufferToFile()

◆ writeRALF_ALTdata()

◆ writeRALF_XYEdata()

◆ writeRALFHeader()

◆ writeSLOGdata()

Member Data Documentation

◆ m_allDetectorsValid

◆ m_inputWS

◆ m_outFileNames

◆ m_outputBuffer

◆ m_overwrite_std_bank_header

◆ m_overwrite_std_gsas_header

◆ m_progress

◆ m_user_specified_bank_headers

◆ m_user_specified_gsas_header