Mantid
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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>
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 | |
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... | |
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::Logger & | getLogger () const |
Returns a reference to the logger. More... | |
void | setLogging (const bool value) override |
Logging can be disabled by passing a value of false. More... | |
bool | isLogging () const override |
returns the status of logging, True = enabled More... | |
void | setLoggingOffset (const int value) override |
gets the logging priority offset More... | |
int | getLoggingOffset () const override |
returns the logging priority offset More... | |
void | setAlgStartupLogging (const bool enabled) override |
disable Logging of start and end messages More... | |
bool | getAlgStartupLogging () const override |
get the state of Logging of start and end messages More... | |
void | setChildStartProgress (const double startProgress) const override |
setting the child start progress More... | |
void | setChildEndProgress (const double endProgress) const override |
setting the child end progress More... | |
std::string | toString () const override |
Serialize an object to a string. More... | |
::Json::Value | toJson () const override |
Serialize an object to a json object. More... | |
virtual std::shared_ptr< Algorithm > | createChildAlgorithm (const std::string &name, const double startProgress=-1., const double endProgress=-1., const bool enableLogging=true, const int &version=-1) |
Create a Child Algorithm. More... | |
void | setupAsChildAlgorithm (const Algorithm_sptr &algorithm, const double startProgress=-1., const double endProgress=-1., const bool enableLogging=true) |
Setup algorithm as child algorithm. More... | |
void | trackAlgorithmHistory (std::shared_ptr< AlgorithmHistory > parentHist) |
set whether we wish to track the child algorithm's history and pass it the parent object to fill. More... | |
void | findWorkspaces (WorkspaceVector &workspaces, unsigned int direction, bool checkADS=false) const |
Populate lists of the workspace properties for a given direction (InOut workspaces are included in both input/output) More... | |
virtual bool | checkGroups () |
Check the input workspace properties for groups. More... | |
virtual bool | processGroups () |
Process WorkspaceGroup inputs. More... | |
void | copyNonWorkspaceProperties (IAlgorithm *alg, int periodNum) |
Copy all the non-workspace properties from this to alg. More... | |
const Parallel::Communicator & | communicator () const |
Returns a const reference to the (MPI) communicator of the algorithm. More... | |
void | setCommunicator (const Parallel::Communicator &communicator) |
Sets the (MPI) communicator of the algorithm. More... | |
void | declareProperty (std::unique_ptr< Kernel::Property > p, const std::string &doc="") override |
Add a property to the list of managed properties. More... | |
void | declareOrReplaceProperty (std::unique_ptr< Kernel::Property > p, const std::string &doc="") override |
Add or replace property in the list of managed properties. More... | |
void | resetProperties () override |
Reset property values back to initial values (blank or default values) More... | |
void | setProperties (const std::string &propertiesJson, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >(), bool createMissing=false) override |
Set the ordered list of properties by one string of values, separated by semicolons. More... | |
void | setProperties (const ::Json::Value &jsonValue, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >(), bool createMissing=false) override |
Sets all the declared properties from a json object. More... | |
void | setPropertiesWithString (const std::string &propertiesString, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >()) override |
Sets all the declared properties from a string. More... | |
void | setPropertyValue (const std::string &name, const std::string &value) override |
Set the value of a property by string N.B. More... | |
void | setPropertyValueFromJson (const std::string &name, const Json::Value &value) override |
Set the value of a property by Json::Value object. More... | |
void | setPropertyOrdinal (const int &index, const std::string &value) override |
Set the value of a property by an index N.B. More... | |
virtual void | copyPropertiesFrom (const Algorithm &alg) |
Make m_properties point to the same PropertyManager as alg.m_properties. More... | |
bool | existsProperty (const std::string &name) const override |
Checks whether the named property is already in the list of managed property. More... | |
bool | validateProperties () const override |
Validates all the properties in the collection. More... | |
size_t | propertyCount () const override |
Count the number of properties under management. More... | |
std::string | getPropertyValue (const std::string &name) const override |
Get the value of a property as a string. More... | |
const std::vector< Kernel::Property * > & | getProperties () const override |
Get the list of managed properties. More... | |
std::vector< std::string > | getDeclaredPropertyNames () const noexcept override |
Return the list of declared property names. More... | |
TypedValue | getProperty (const std::string &name) const override |
Get the value of a property. More... | |
std::string | asString (bool withDefaultValues=false) const override |
Return the property manager serialized as a string. More... | |
::Json::Value | asJson (bool withDefaultValues=false) const override |
Return the property manager serialized as a json object. More... | |
bool | isDefault (const std::string &name) const |
void | removeProperty (const std::string &name, const bool delproperty=true) override |
Removes the property from management. More... | |
std::unique_ptr< Kernel::Property > | takeProperty (const size_t index) override |
Removes the property from management and returns a pointer to it. More... | |
void | clear () override |
Clears all properties under management. More... | |
void | afterPropertySet (const std::string &) override |
Override this method to perform a custom action right after a property was set. More... | |
void | filterByTime (const Types::Core::DateAndTime &, const Types::Core::DateAndTime &) override |
void | splitByTime (std::vector< Kernel::SplittingInterval > &, std::vector< Kernel::PropertyManager * >) const override |
void | filterByProperty (const Kernel::TimeSeriesProperty< bool > &, const std::vector< std::string > &) override |
Kernel::Property * | getPointerToProperty (const std::string &name) const override |
Get a property by name. More... | |
Kernel::Property * | getPointerToPropertyOrdinal (const int &index) const override |
Get a property by an index. More... | |
virtual void | declareProperty (std::unique_ptr< Property > p, const std::string &doc="")=0 |
Function to declare properties (i.e. store them) More... | |
template<typename T > | |
void | declareProperty (const std::string &name, T value, IValidator_sptr validator=std::make_shared< NullValidator >(), const std::string &doc="", const unsigned int direction=Direction::Input) |
Add a property of the template type to the list of managed properties. More... | |
template<typename T > | |
void | declareProperty (const std::string &name, T value, const std::string &doc, const unsigned int direction=Direction::Input) |
Add a property to the list of managed properties with no validator. More... | |
template<typename T > | |
void | declareProperty (const std::string &name, T value, const unsigned int direction) |
Add a property of the template type to the list of managed properties. More... | |
void | declareProperty (const std::string &name, const char *value, IValidator_sptr validator=std::make_shared< NullValidator >(), const std::string &doc=std::string(), const unsigned int direction=Direction::Input) |
Specialised version of declareProperty template method to prevent the creation of a PropertyWithValue of type const char* if an argument in quotes is passed (it will be converted to a string). More... | |
void | declareProperty (const std::string &name, const char *value, const std::string &doc, IValidator_sptr validator=std::make_shared< NullValidator >(), const unsigned int direction=Direction::Input) |
Specialised version of declareProperty template method to prevent the creation of a PropertyWithValue of type const char* if an argument in quotes is passed (it will be converted to a string). More... | |
void | declareProperty (const std::string &name, const char *value, const unsigned int direction) |
Add a property of string type to the list of managed properties. More... | |
const std::vector< std::string > | categories () const override |
Function to return all of the categories that contain this algorithm. More... | |
const std::string | categorySeparator () const override |
Function to return the separator token for the category string. More... | |
const std::string | alias () const override |
function to return any aliases to the algorithm; A default implementation is provided More... | |
const std::string | aliasDeprecated () const override |
Expiration date (in ISO8601 format) for the algorithm aliases; default implementation for no expiration date. More... | |
const std::string | helpURL () const override |
function to return URL for algorithm documentation; A default implementation is provided. More... | |
template<typename T , typename = typename std::enable_if<std::is_convertible<T *, MatrixWorkspace *>::value>::type> | |
std::tuple< std::shared_ptr< T >, Indexing::SpectrumIndexSet > | getWorkspaceAndIndices (const std::string &name) const |
template<typename T1 , typename T2 , typename = typename std::enable_if<std::is_convertible<T1 *, MatrixWorkspace *>::value>::type, typename = typename std::enable_if<std::is_convertible<T2 *, std::string *>::value || std::is_convertible<T2 *, std::vector<int64_t> *>::value>::type> | |
void | setWorkspaceInputProperties (const std::string &name, const std::shared_ptr< T1 > &wksp, IndexType type, const T2 &list) |
template<typename T1 , typename T2 , typename = typename std::enable_if<std::is_convertible<T1 *, MatrixWorkspace *>::value>::type, typename = typename std::enable_if<std::is_convertible<T2 *, std::string *>::value || std::is_convertible<T2 *, std::vector<int64_t> *>::value>::type> | |
void | setWorkspaceInputProperties (const std::string &name, const std::string &wsName, IndexType type, const T2 &list) |
const std::string | workspaceMethodName () const override |
const std::vector< std::string > | workspaceMethodOn () const override |
const std::string | workspaceMethodInputProperty () const override |
AlgorithmID | getAlgorithmID () const override |
Algorithm ID. More... | |
virtual void | addObserver (const Poco::AbstractObserver &observer) const =0 |
Add an observer for a notification. More... | |
virtual const std::string | alias () const =0 |
function to return any aliases of the algorithm. More... | |
virtual const std::string | aliasDeprecated () const =0 |
Expiration date (in ISO8601 format) for the algorithm aliases. Empty if no expiration date. More... | |
virtual void | cancel ()=0 |
Raises the cancel flag. More... | |
virtual const std::vector< std::string > | categories () const =0 |
Function to return all of the categories that contain this algorithm. More... | |
virtual const std::string | category () const =0 |
function to return a category of the algorithm. More... | |
virtual const std::string | categorySeparator () const =0 |
Function to return the separator token for the category string. More... | |
virtual void | enableHistoryRecordingForChild (const bool on)=0 |
If true history will be recorded for a child. More... | |
virtual bool | execute ()=0 |
System execution. More... | |
virtual void | executeAsChildAlg ()=0 |
Execute as a Child Algorithm, with try/catch. More... | |
virtual Poco::ActiveResult< bool > | executeAsync ()=0 |
Asynchronous execution of the algorithm. More... | |
virtual ExecutionState | executionState () const =0 |
Gets the current execution state. More... | |
virtual AlgorithmID | getAlgorithmID () const =0 |
Algorithm ID. More... | |
virtual bool | getAlgStartupLogging () const =0 |
get the state of Logging of start and end messages More... | |
virtual bool | getAlwaysStoreInADS () const =0 |
To query whether the output is stored in the analysis data service. More... | |
virtual int | getLoggingOffset () const =0 |
returns the logging priority offset More... | |
virtual const std::string | helpURL () const =0 |
function to return an optional URL for documentation. More... | |
virtual void | initialize ()=0 |
Initialization method invoked by the framework. More... | |
virtual bool | isChild () const =0 |
To query whether algorithm is a child. Default to false. More... | |
virtual bool | isExecuted () const =0 |
Check whether the algorithm has been executed sucessfully. More... | |
virtual bool | isInitialized () const =0 |
Check whether the algorithm is initialized properly. More... | |
virtual bool | isLogging () const =0 |
returns the status of logging, True = enabled More... | |
virtual bool | isReadyForGarbageCollection () const =0 |
True if the algorithm is ready for garbage collection. More... | |
virtual bool | isRunning () const =0 |
True if the algorithm is running. More... | |
virtual const std::string | name () const =0 |
function to return a name of the algorithm, must be overridden in all algorithms More... | |
virtual void | removeObserver (const Poco::AbstractObserver &observer) const =0 |
Remove an observer. More... | |
virtual ResultState | resultState () const =0 |
Gets the currnet result State. More... | |
virtual const std::vector< std::string > | seeAlso () const =0 |
Function to return all of the seeAlso algorithms related to this algorithm. More... | |
virtual void | setAlgStartupLogging (const bool enabled)=0 |
disable Logging of start and end messages More... | |
virtual void | setAlwaysStoreInADS (const bool doStore)=0 |
Set whether we always store the output in the analysis data service. More... | |
virtual void | setChild (const bool isChild)=0 |
To set whether algorithm is a child. More... | |
virtual void | setChildEndProgress (const double endProgress) const =0 |
setting the child end progress More... | |
virtual void | setChildStartProgress (const double startProgress) const =0 |
setting the child start progress More... | |
virtual void | setLogging (const bool value)=0 |
Logging can be disabled by passing a value of false. More... | |
virtual void | setLoggingOffset (const int value)=0 |
gets the logging priority offset More... | |
virtual void | setRethrows (const bool rethrow)=0 |
To query whether an algorithm should rethrow exceptions when executing. More... | |
virtual const std::string | summary () const =0 |
function returns a summary message that will be displayed in the default GUI, and in the help. More... | |
virtual ::Json::Value | toJson () const =0 |
Serialize an algorithm as Json. More... | |
virtual std::string | toString () const =0 |
Serialize an algorithm. More... | |
virtual std::map< std::string, std::string > | validateInputs ()=0 |
Method checking errors on ALL the inputs, before execution. More... | |
virtual int | version () const =0 |
function to return a version of the algorithm, must be overridden in all algorithms More... | |
Algorithms As Methods | |
Public Member Functions inherited from Mantid::Kernel::IPropertyManager | |
virtual ::Json::Value | asJson (bool withDefaultValues=false) const =0 |
Return the property manager serialized as a json object. More... | |
virtual std::string | asString (bool withDefaultValues=false) const =0 |
Return the property manager serialized as a string. More... | |
virtual void | declareOrReplaceProperty (std::unique_ptr< Property > p, const std::string &doc="")=0 |
Function to declare properties (i.e. store them) More... | |
void | declareProperty (const std::string &name, const char *value, const std::string &doc, IValidator_sptr validator=std::make_shared< NullValidator >(), const unsigned int direction=Direction::Input) |
Specialised version of declareProperty template method to prevent the creation of a PropertyWithValue of type const char* if an argument in quotes is passed (it will be converted to a string). More... | |
void | declareProperty (const std::string &name, const char *value, const unsigned int direction) |
Add a property of string type to the list of managed properties. More... | |
void | declareProperty (const std::string &name, const char *value, IValidator_sptr validator=std::make_shared< NullValidator >(), const std::string &doc=std::string(), const unsigned int direction=Direction::Input) |
Specialised version of declareProperty template method to prevent the creation of a PropertyWithValue of type const char* if an argument in quotes is passed (it will be converted to a string). More... | |
template<typename T > | |
void | declareProperty (const std::string &name, T value, const std::string &doc, const unsigned int direction=Direction::Input) |
Add a property to the list of managed properties with no validator. More... | |
template<typename T > | |
void | declareProperty (const std::string &name, T value, const unsigned int direction) |
Add a property of the template type to the list of managed properties. More... | |
template<typename T > | |
void | declareProperty (const std::string &name, T value, IValidator_sptr validator=std::make_shared< NullValidator >(), const std::string &doc="", const unsigned int direction=Direction::Input) |
Add a property of the template type to the list of managed properties. More... | |
virtual void | declareProperty (std::unique_ptr< Property > p, const std::string &doc="")=0 |
Function to declare properties (i.e. store them) More... | |
virtual bool | existsProperty (const std::string &name) const =0 |
Checks whether the named property is already in the list of managed property. More... | |
virtual void | filterByProperty (const TimeSeriesProperty< bool > &, const std::vector< std::string > &)=0 |
virtual void | filterByTime (const Types::Core::DateAndTime &, const Types::Core::DateAndTime &)=0 |
virtual std::vector< std::string > | getDeclaredPropertyNames () const noexcept=0 |
Get the list of managed property names. More... | |
virtual Property * | getPointerToProperty (const std::string &name) const =0 |
Get a pointer to property by name. More... | |
virtual const std::vector< Property * > & | getProperties () const =0 |
Get the list of managed properties. More... | |
std::vector< Property * > | getPropertiesInGroup (const std::string &group) const |
Get the list of managed properties in a given group. More... | |
virtual TypedValue | getProperty (const std::string &name) const =0 |
Get the value of a property. More... | |
virtual std::string | getPropertyValue (const std::string &name) const =0 |
Get the value of a property as a string. More... | |
virtual size_t | propertyCount () const =0 |
Returns the number of properties under management. More... | |
virtual void | removeProperty (const std::string &name, const bool delproperty=true)=0 |
Removes the property from management. More... | |
virtual void | resetProperties ()=0 |
virtual void | setProperties (const ::Json::Value &jsonValue, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >(), bool createMissing=false)=0 |
Sets all the properties from a json object. More... | |
virtual void | setProperties (const std::string &propertiesJson, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >(), bool createMissing=false)=0 |
Sets all properties from a string. More... | |
virtual void | setPropertiesWithString (const std::string &propertiesString, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >())=0 |
Sets all the declared properties from a string. More... | |
IPropertyManager * | setProperty (const std::string &name, const char *value) |
Specialised version of setProperty template method to handle const char *. More... | |
IPropertyManager * | setProperty (const std::string &name, const std::string &value) |
Specialised version of setProperty template method to handle std::string. More... | |
template<typename T > | |
IPropertyManager * | setProperty (const std::string &name, const T &value) |
Templated method to set the value of a PropertyWithValue. More... | |
template<typename T > | |
IPropertyManager * | setProperty (const std::string &name, std::unique_ptr< T > value) |
Templated method to set the value of a PropertyWithValue from a std::unique_ptr. More... | |
void | setPropertyGroup (const std::string &name, const std::string &group) |
Set the group for a given property. More... | |
virtual void | setPropertyOrdinal (const int &index, const std::string &value)=0 |
Set the value of a property by an index. More... | |
void | setPropertySettings (const std::string &name, std::unique_ptr< IPropertySettings > settings) |
virtual void | setPropertyValue (const std::string &name, const std::string &value)=0 |
Sets property value from a string. More... | |
virtual void | setPropertyValueFromJson (const std::string &name, const Json::Value &value)=0 |
Sets property value from a Json::Value. More... | |
virtual void | splitByTime (std::vector< SplittingInterval > &, std::vector< PropertyManager * >) const =0 |
virtual std::unique_ptr< Property > | takeProperty (const size_t index)=0 |
Removes the property from management and returns a pointer to it. More... | |
void | updatePropertyValues (const IPropertyManager &other) |
Update values of the existing properties. More... | |
virtual bool | validateProperties () const =0 |
Validates all the properties in the collection. More... | |
virtual | ~IPropertyManager ()=default |
Private Member Functions | |
void | 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::BSpline > | m_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 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... | |
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.
Definition at line 26 of file SplineSmoothing.h.
Mantid::CurveFitting::Algorithms::SplineSmoothing::SplineSmoothing | ( | ) |
Constructor.
Definition at line 30 of file SplineSmoothing.cpp.
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add a set of smoothing points to the spline
Redefines the spline with a new set of points.
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().
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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.
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().
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calculate the spline based on the smoothing points chosen
Calculate smoothing of the data using the spline Wraps CubicSpline function1D.
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().
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calculate derivatives for a single spectrum
Calculate the derivatives for each spectrum in the input workspace.
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().
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overridevirtual |
Algorithm's category for identification.
Reimplemented from Mantid::API::Algorithm.
Definition at line 42 of file SplineSmoothing.cpp.
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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.
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 |
Definition at line 258 of file SplineSmoothing.cpp.
References error, fabs, and Mantid::API::Algorithm::getProperty().
Referenced by selectSmoothingPoints().
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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
workspace | :: The input workspace |
Definition at line 190 of file SplineSmoothing.cpp.
References Mantid::API::Algorithm::createChildAlgorithm(), and workspace.
Referenced by exec().
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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().
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overrideprivatevirtual |
Execute the algorithm.
Implements Mantid::API::Algorithm.
Definition at line 79 of file SplineSmoothing.cpp.
References calculateSpectrumDerivatives(), convertBinnedData(), convertToHistogram(), Mantid::API::Algorithm::getProperty(), Mantid::API::Algorithm::getPropertyValue(), m_derivativeWorkspaceGroup, m_inputWorkspace, m_inputWorkspacePointData, m_outputWorkspace, Mantid::Kernel::ProgressBase::report(), Mantid::Kernel::IPropertyManager::setProperty(), setupOutputWorkspace(), and smoothSpectrum().
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overrideprivatevirtual |
Initialize the algorithm's properties.
Implements Mantid::API::Algorithm.
Definition at line 49 of file SplineSmoothing.cpp.
References Mantid::API::Algorithm::declareProperty(), Mantid::Kernel::Direction::Input, Mantid::API::PropertyMode::Optional, and Mantid::Kernel::Direction::Output.
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overridevirtual |
Algorithm's name for identification.
Implements Mantid::API::Algorithm.
Definition at line 36 of file SplineSmoothing.cpp.
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Use an existing fit function to tidy smoothing.
Use a child fitting algorithm to tidy the smoothing.
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().
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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.
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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.
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().
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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
inws | :: The input workspace as a shared pointer |
size | :: The number of spectra the workspace should be created with |
Definition at line 168 of file SplineSmoothing.cpp.
References index, Mantid::Kernel::SingletonHolder< T >::Instance(), and std::to_string().
Referenced by calculateSpectrumDerivatives(), and exec().
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smooth a single spectrum of the workspace
Smooth a single spectrum of the input workspace.
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().
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inlineoverridevirtual |
Summary of algorithms purpose.
Implements Mantid::API::Algorithm.
Definition at line 35 of file SplineSmoothing.h.
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overridevirtual |
Algorithm's version for identification.
Implements Mantid::API::Algorithm.
Definition at line 39 of file SplineSmoothing.cpp.
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private |
CubicSpline member used to perform smoothing.
Definition at line 88 of file SplineSmoothing.h.
Referenced by addSmoothingPoints(), calculateDerivatives(), calculateSmoothing(), performAdditionalFitting(), selectSmoothingPoints(), and smoothSpectrum().
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pointer to the output workspace group of derivatives
Definition at line 94 of file SplineSmoothing.h.
Referenced by calculateSpectrumDerivatives(), and exec().
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pointer to the input workspace
Definition at line 90 of file SplineSmoothing.h.
Referenced by calculateSpectrumDerivatives(), exec(), and smoothSpectrum().
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pointer to the input workspace converted to point data
Definition at line 92 of file SplineSmoothing.h.
Referenced by calculateSpectrumDerivatives(), exec(), and smoothSpectrum().
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pointer to the smoothed output workspace
Definition at line 96 of file SplineSmoothing.h.
Referenced by convertToHistogram(), exec(), and smoothSpectrum().
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number of smoothing points to start with
Definition at line 43 of file SplineSmoothing.h.
Referenced by selectSmoothingPoints().