A generic fitting algorithm. More...
#include <Fit.h>
Inheritance diagram for Mantid::CurveFitting::Algorithms::Fit:
Public Member Functions | |
| Fit () | |
| Default constructor. More... | |
| const std::string | name () const override |
| Algorithm's name for identification overriding a virtual method. 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 for identification overriding a virtual method. More... | |
 Public Member Functions inherited from Mantid::CurveFitting::IFittingAlgorithm | |
| const std::string | category () const override |
| Algorithm's category 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... | |
| 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 | 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 | copyMinimizerOutput (const API::IFuncMinimizer &minimizer) |
| Copy all output workspace properties from the minimizer to Fit algorithm. More... | |
| void | createOutput () |
| Create algorithm output workspaces. More... | |
| void | execConcrete () override |
| Executes the algorithm. More... | |
| void | finalizeMinimizer (size_t nIterations) |
| Finalize the minimizer. More... | |
| void | initConcrete () override |
| Initialisation method. More... | |
| void | initializeMinimizer (size_t maxIterations) |
| Initialize the minimizer for this fit. More... | |
| void | readProperties () |
| Read in the properties specific to Fit. More... | |
| size_t | runMinimizer () |
| Run the minimizer's iteration loop. More... | |
| std::map< std::string, std::string > | validateInputs () override |
| Perform validation of ALL the input properties of the algorithm. More... | |
Private Attributes | |
| std::shared_ptr< CostFunctions::CostFuncFitting > | m_costFunction |
| The cost function. More... | |
| size_t | m_maxIterations |
| Max number of iterations. More... | |
| std::shared_ptr< API::IFuncMinimizer > | m_minimizer |
| The minimizer. 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::CurveFitting::IFittingAlgorithm | |
| void | addWorkspaces () |
| Collect all input workspace property names in the m_workspacePropertyNames vector. More... | |
| void | declareCostFunctionProperty () |
| Declare a "CostFunction" property. More... | |
| std::shared_ptr< CostFunctions::CostFuncFitting > | getCostFunctionInitialized () const |
| Create a cost function from the "CostFunction" property and make it ready for evaluation. More... | |
| std::vector< std::string > | getCostFunctionNames () const |
| Return names of registered cost function for CostFuncFitting dynamic type. More... | |
| void | setFunction () |
| void | setStepSizeMethod () |
| Sets the method to use when calculating the step size for the numerical derivative. More... | |
| Protected Member Functions inherited from Mantid::API::ParallelAlgorithm | |
| 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... | |
| ~ParallelAlgorithm ()=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... | |
| 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::CurveFitting::IFittingAlgorithm | |
| std::shared_ptr< API::IDomainCreator > | m_domainCreator |
| Pointer to a domain creator. More... | |
| API::IDomainCreator::DomainType | m_domainType {API::IDomainCreator::Simple} |
| Keep the domain type. More... | |
| std::shared_ptr< API::IFunction > | m_function |
| Pointer to the fitting function. More... | |
| std::vector< std::string > | m_workspaceIndexPropertyNames |
| std::vector< std::string > | m_workspacePropertyNames |
| 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
A generic fitting algorithm.
It fits a function to some data in a workspace.
The static properties are:
- Function - The fitting function
- InputWorkspace - First input workspace with the data
- DomainType - The type of function domain to use: Simple, Sequential, or Parallel
- Ties - Optional parameter ties
- Constraints - Optional parameter constraints
- MaxIterations - Max number of iterations, default 500
- OutputStatus - A string with the output status
- OutputChi2overDoF - The final chi^2 over degrees of freedom
- Minimizer - The minimizer, default Levenberg-Marquardt
- CostFunction - The cost function , default Least squares
- CreateOutput - A flag to create output workspaces.
- Output - Optional base name for the output workspaces.
After setting "Function" and "InputWorkspace" additional dynamic properties can be declared. Property "Function" must be set first. If it is of a multi-domain variety the algorithm will declare a number of properties with names "InputWorkspace_#" where # stands for a number from 1 to n-1 where n is the number of domains required for the function. All the workspace properties have to be set.
After a "InputWorkspace[_#]" property is set more dynamic proeprties can be declared. This depends on the functions and the type of the workspace. For example, if "Function" is IFunction1D and "InputWorkspace" is a MatrixWorkspace then properties "WorkspaceIndex", "StartX", and "EndX" will be added.
If the output workspaces are to be created they will have the following properties:
- OutputNormalisedCovarianceMatrix - A TableWorkspace with the covariance matrix
- OutputParameters - A TableWorkspace with the optimized parameters
- OutputWorkspace - Optional: some functions and input workspaces may alow to create a workspace with the calculated values
- Date
- 06/12/2011
Constructor & Destructor Documentation
◆ Fit()
| Mantid::CurveFitting::Algorithms::Fit::Fit | ( | ) |
Member Function Documentation
◆ copyMinimizerOutput()
|
private |
Copy all output workspace properties from the minimizer to Fit algorithm.
- Parameters
-
minimizer :: The minimizer to copy from.
Definition at line 153 of file Fit.cpp.
References Mantid::API::Algorithm::declareProperty(), Mantid::Kernel::PropertyManager::getProperties(), and Mantid::Kernel::Direction::Output.
Referenced by createOutput().
◆ createOutput()
|
private |
Create algorithm output workspaces.
Definition at line 234 of file Fit.cpp.
References copyMinimizerOutput(), Mantid::API::Algorithm::declareProperty(), Mantid::CurveFitting::EigenMatrix::get(), Mantid::API::Algorithm::getProperty(), Mantid::API::Algorithm::getPropertyValue(), Mantid::CurveFitting::EigenMatrix::inspector(), Mantid::Kernel::SingletonHolder< T >::Instance(), m_costFunction, Mantid::CurveFitting::IFittingAlgorithm::m_domainCreator, Mantid::CurveFitting::IFittingAlgorithm::m_function, m_minimizer, Mantid::Kernel::Direction::Output, Mantid::Kernel::IPropertyManager::setProperty(), Mantid::API::Algorithm::setPropertyValue(), Mantid::CurveFitting::EigenMatrix::size1(), and Mantid::CurveFitting::EigenMatrix::size2().
Referenced by execConcrete().
◆ execConcrete()
|
overrideprivatevirtual |
Executes the algorithm.
- Exceptions
-
runtime_error Thrown if algorithm cannot execute
Implements Mantid::CurveFitting::IFittingAlgorithm.
Definition at line 376 of file Fit.cpp.
References createOutput(), finalizeMinimizer(), initializeMinimizer(), m_maxIterations, Mantid::API::Algorithm::progress(), readProperties(), and runMinimizer().
◆ finalizeMinimizer()
|
private |
Finalize the minimizer.
- Parameters
-
nIterations :: The actual number of iterations done by the minimizer.
Definition at line 207 of file Fit.cpp.
References Mantid::Kernel::Logger::debug(), Mantid::API::g_log, Mantid::API::Algorithm::isChild(), m_maxIterations, m_minimizer, Mantid::Kernel::Logger::notice(), Mantid::API::Algorithm::setPropertyValue(), std::to_string(), and Mantid::Kernel::Logger::warning().
Referenced by execConcrete().
◆ initConcrete()
|
overrideprivatevirtual |
Initialisation method.
Implements Mantid::CurveFitting::IFittingAlgorithm.
Definition at line 38 of file Fit.cpp.
References Mantid::DataObjects::create(), Mantid::API::Algorithm::declareProperty(), Mantid::API::Algorithm::getPointerToProperty(), Mantid::Kernel::Direction::InOut, Mantid::Kernel::Direction::Input, Mantid::Kernel::SingletonHolder< T >::Instance(), Mantid::Kernel::Direction::Output, and Mantid::Kernel::Property::setDocumentation().
◆ initializeMinimizer()
|
private |
Initialize the minimizer for this fit.
- Parameters
-
maxIterations :: Maximum number of iterations.
Definition at line 136 of file Fit.cpp.
References Mantid::API::Algorithm::existsProperty(), Mantid::CurveFitting::IFittingAlgorithm::getCostFunctionInitialized(), Mantid::API::Algorithm::getProperty(), Mantid::API::Algorithm::getPropertyValue(), Mantid::Kernel::SingletonHolder< T >::Instance(), m_costFunction, Mantid::CurveFitting::IFittingAlgorithm::m_domainCreator, and m_minimizer.
Referenced by execConcrete(), and runMinimizer().
◆ name()
|
inlineoverridevirtual |
Algorithm's name for identification overriding a virtual method.
Implements Mantid::API::Algorithm.
◆ readProperties()
|
private |
Read in the properties specific to Fit.
Definition at line 118 of file Fit.cpp.
References Mantid::API::Algorithm::getProperty(), Mantid::API::Algorithm::getPropertyValue(), Mantid::API::Algorithm::isChild(), Mantid::CurveFitting::IFittingAlgorithm::m_function, and m_maxIterations.
Referenced by execConcrete().
◆ runMinimizer()
|
private |
Run the minimizer's iteration loop.
- Returns
- :: Number of actual iterations.
Definition at line 165 of file Fit.cpp.
References Mantid::Kernel::Logger::debug(), Mantid::API::g_log, initializeMinimizer(), Mantid::CurveFitting::IFittingAlgorithm::m_function, m_maxIterations, and m_minimizer.
Referenced by execConcrete().
◆ seeAlso()
|
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.
◆ summary()
|
inlineoverridevirtual |
Summary of algorithms purpose.
Implements Mantid::API::Algorithm.
◆ validateInputs()
|
overrideprivatevirtual |
Perform validation of ALL the input properties of the algorithm.
This is to be overridden by specific algorithms. It will be called in dialogs after parsing all inputs and setting the properties, but BEFORE executing.
- Returns
- a map where: Key = string name of the the property; Value = string describing the problem with the property.
Reimplemented from Mantid::API::Algorithm.
Definition at line 95 of file Fit.cpp.
References Mantid::API::Expression::DEFAULT_OPS_STR, and Mantid::API::Algorithm::getPropertyValue().
◆ version()
|
inlineoverridevirtual |
Algorithm's version for identification overriding a virtual method.
Implements Mantid::API::Algorithm.
Member Data Documentation
◆ m_costFunction
|
private |
The cost function.
Definition at line 103 of file Fit.h.
Referenced by createOutput(), and initializeMinimizer().
◆ m_maxIterations
|
private |
Max number of iterations.
Definition at line 107 of file Fit.h.
Referenced by execConcrete(), finalizeMinimizer(), readProperties(), and runMinimizer().
◆ m_minimizer
|
private |
The minimizer.
Definition at line 105 of file Fit.h.
Referenced by createOutput(), finalizeMinimizer(), initializeMinimizer(), and runMinimizer().
The documentation for this class was generated from the following files:
