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Public Member Functions | Private Member Functions | Private Attributes | List of all members
Mantid::CurveFitting::Algorithms::SplineSmoothing Class Referencefinal

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

#include <SplineSmoothing.h>

Inheritance diagram for Mantid::CurveFitting::Algorithms::SplineSmoothing:
Mantid::API::Algorithm Mantid::API::IAlgorithm Mantid::Kernel::IPropertyManager

Public Member Functions

const std::string category () const override
 Algorithm's category for identification. More...
 
const std::string name () const override
 Algorithm's name for identification. 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...
 
 SplineSmoothing ()
 Constructor. More...
 
const std::string summary () const override
 Summary of algorithms purpose. More...
 
int version () const override
 Algorithm's version for identification. More...
 
- Public Member Functions inherited from Mantid::API::Algorithm
 Algorithm ()
 Constructor. More...
 
 Algorithm (const Algorithm &)=delete
 
Algorithmoperator= (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...
 
std::map< std::string, std::string > validateInputs () override
 Perform validation of ALL the input properties of the 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::LoggergetLogger () 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< AlgorithmcreateChildAlgorithm (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::PropertytakeProperty (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::PropertygetPointerToProperty (const std::string &name) const override
 Get a property by name. More...
 
Kernel::PropertygetPointerToPropertyOrdinal (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 PropertygetPointerToProperty (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...
 
IPropertyManagersetProperty (const std::string &name, const char *value)
 Specialised version of setProperty template method to handle const char *. More...
 
IPropertyManagersetProperty (const std::string &name, const std::string &value)
 Specialised version of setProperty template method to handle std::string. More...
 
template<typename T >
IPropertyManagersetProperty (const std::string &name, const T &value)
 Templated method to set the value of a PropertyWithValue. More...
 
template<typename T >
IPropertyManagersetProperty (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< PropertytakeProperty (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 addSmoothingPoints (const std::set< int > &points, const double *xs, const double *ys) const
 add a set of smoothing points to the spline More...
 
void calculateDerivatives (const API::MatrixWorkspace &inputWorkspace, API::MatrixWorkspace &outputWorkspace, const int order, const size_t row) const
 calculate the derivatives for a set of points on the spline More...
 
void calculateSmoothing (const API::MatrixWorkspace &inputWorkspace, API::MatrixWorkspace &outputWorkspace, const size_t row) const
 calculate the spline based on the smoothing points chosen More...
 
void calculateSpectrumDerivatives (const int index, const int order)
 calculate derivatives for a single spectrum More...
 
bool checkSmoothingAccuracy (const int start, const int end, const double *ys, const double *ysmooth) const
 check if the difference between smoothing points and data points is within a certain error bound More...
 
API::MatrixWorkspace_sptr convertBinnedData (API::MatrixWorkspace_sptr workspace)
 Converts histogram data to point data later processing convert a binned workspace to point data. More...
 
void convertToHistogram ()
 Handle converting point data back to histograms. More...
 
void exec () override
 Execute the algorithm. More...
 
void init () override
 Initialize the algorithm's properties. More...
 
void performAdditionalFitting (const API::MatrixWorkspace_sptr &ws, const int row)
 Use an existing fit function to tidy smoothing. More...
 
void selectSmoothingPoints (const API::MatrixWorkspace &inputWorkspace, const size_t row)
 choose points to define a spline and smooth the data More...
 
API::MatrixWorkspace_sptr setupOutputWorkspace (const API::MatrixWorkspace_sptr &inws, const int size) const
 setup an output workspace using meta data from inws and taking a number of spectra More...
 
void smoothSpectrum (const int index)
 smooth a single spectrum of the workspace More...
 

Private Attributes

std::shared_ptr< Functions::BSplinem_cspline
 CubicSpline member used to perform smoothing. More...
 
API::WorkspaceGroup_sptr m_derivativeWorkspaceGroup
 pointer to the output workspace group of derivatives More...
 
API::MatrixWorkspace_sptr m_inputWorkspace
 pointer to the input workspace More...
 
API::MatrixWorkspace_sptr m_inputWorkspacePointData
 pointer to the input workspace converted to point data More...
 
API::MatrixWorkspace_sptr m_outputWorkspace
 pointer to the smoothed output workspace More...
 
const int M_START_SMOOTH_POINTS
 number of smoothing points to start with 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::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 PropertygetPointerToPropertyOrdinal (const int &index) const =0
 Get a property by an index. More...
 
template<typename 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< AlgorithmHistorym_history
 Pointer to the history for the algorithm being executed. More...
 
Kernel::Logger m_log
 Logger for this algorithm. More...
 
Kernel::Loggerg_log
 
std::shared_ptr< AlgorithmHistorym_parentHistory
 Pointer to the parent history object (if set) More...
 
std::vector< WorkspaceVectorm_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

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

Author
Samuel Jackson, STFC
Date
24/07/2013

Definition at line 26 of file SplineSmoothing.h.

Constructor & Destructor Documentation

◆ SplineSmoothing()

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

Constructor.

Definition at line 30 of file SplineSmoothing.cpp.

Member Function Documentation

◆ addSmoothingPoints()

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

add a set of smoothing points to the spline

Redefines the spline with a new set of points.

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

Definition at line 281 of file SplineSmoothing.cpp.

References m_cspline.

Referenced by selectSmoothingPoints().

◆ calculateDerivatives()

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

calculate the derivatives for a set of points on the spline

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

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

Definition at line 239 of file SplineSmoothing.cpp.

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

Referenced by calculateSpectrumDerivatives().

◆ calculateSmoothing()

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

calculate the spline based on the smoothing points chosen

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

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

Definition at line 219 of file SplineSmoothing.cpp.

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

Referenced by smoothSpectrum().

◆ calculateSpectrumDerivatives()

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

calculate derivatives for a single spectrum

Calculate the derivatives for each spectrum in the input workspace.

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

Definition at line 132 of file SplineSmoothing.cpp.

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

Referenced by exec().

◆ category()

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

Algorithm's category for identification.

See also
Algorithm::category

Reimplemented from Mantid::API::Algorithm.

Definition at line 42 of file SplineSmoothing.cpp.

◆ checkSmoothingAccuracy()

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

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

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

Parameters
start:: The index of start checking accuracy at
end:: The index to stop checking accuracy at
ys:: The y data points from the noisy data
ysmooth:: The corresponding y data points defined by the spline
Returns
Boolean meaning if the values were accurate enough

Definition at line 258 of file SplineSmoothing.cpp.

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

Referenced by selectSmoothingPoints().

◆ convertBinnedData()

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

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

Convert a binned workspace to point data.

Uses mean of the bins as point

Parameters
workspace:: The input workspace
Returns
the converted workspace containing point data

Definition at line 190 of file SplineSmoothing.cpp.

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

Referenced by exec().

◆ convertToHistogram()

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

Handle converting point data back to histograms.

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

Definition at line 205 of file SplineSmoothing.cpp.

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

Referenced by exec().

◆ exec()

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

◆ init()

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

◆ name()

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

Algorithm's name for identification.

See also
Algorithm::name

Implements Mantid::API::Algorithm.

Definition at line 36 of file SplineSmoothing.cpp.

◆ performAdditionalFitting()

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

Use an existing fit function to tidy smoothing.

Use a child fitting algorithm to tidy the smoothing.

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

Definition at line 150 of file SplineSmoothing.cpp.

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

Referenced by smoothSpectrum().

◆ seeAlso()

const std::vector< std::string > Mantid::CurveFitting::Algorithms::SplineSmoothing::seeAlso ( ) const
inlineoverridevirtual

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

Reimplemented from Mantid::API::Algorithm.

Definition at line 32 of file SplineSmoothing.h.

◆ selectSmoothingPoints()

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

choose points to define a spline and smooth the data

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

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

Definition at line 309 of file SplineSmoothing.cpp.

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

Referenced by smoothSpectrum().

◆ setupOutputWorkspace()

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

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

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

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

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

Definition at line 168 of file SplineSmoothing.cpp.

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

Referenced by calculateSpectrumDerivatives(), and exec().

◆ smoothSpectrum()

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

smooth a single spectrum of the workspace

Smooth a single spectrum of the input workspace.

Parameters
index:: index of the spectrum to smooth

Definition at line 114 of file SplineSmoothing.cpp.

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

Referenced by exec().

◆ summary()

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

Summary of algorithms purpose.

Implements Mantid::API::Algorithm.

Definition at line 35 of file SplineSmoothing.h.

◆ version()

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

Algorithm's version for identification.

See also
Algorithm::version

Implements Mantid::API::Algorithm.

Definition at line 39 of file SplineSmoothing.cpp.

Member Data Documentation

◆ m_cspline

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

CubicSpline member used to perform smoothing.

Definition at line 88 of file SplineSmoothing.h.

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

◆ m_derivativeWorkspaceGroup

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

pointer to the output workspace group of derivatives

Definition at line 94 of file SplineSmoothing.h.

Referenced by calculateSpectrumDerivatives(), and exec().

◆ m_inputWorkspace

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

pointer to the input workspace

Definition at line 90 of file SplineSmoothing.h.

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

◆ m_inputWorkspacePointData

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

pointer to the input workspace converted to point data

Definition at line 92 of file SplineSmoothing.h.

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

◆ m_outputWorkspace

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

pointer to the smoothed output workspace

Definition at line 96 of file SplineSmoothing.h.

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

◆ M_START_SMOOTH_POINTS

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

number of smoothing points to start with

Definition at line 43 of file SplineSmoothing.h.

Referenced by selectSmoothingPoints().


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