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

Calculates the multiple scattering & total scattering contributions for a flat-plate or cylindrical sample. More...

#include <VesuvioCalculateMS.h>

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

Classes

struct  ComptonNeutronAtom
 
struct  SampleComptonProperties
 

Public Member Functions

const std::string category () const override
 function to return a category of the algorithm. More...
 
const std::string name () const override
 function to return a name of the algorithm, must be overridden in all algorithms 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
 function returns a summary message that will be displayed in the default GUI, and in the help. More...
 
int version () const override
 function to return a version of the algorithm, must be overridden in all algorithms More...
 
 VesuvioCalculateMS ()
 Constructor. 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 assignToOutput (const MSVesuvioHelper::SimulationWithErrors &avgCounts, API::ISpectrum &totalsc, API::ISpectrum &multsc) const
 Assign the averaged counts to the correct workspaces. More...
 
void cacheInputs ()
 Caches inputs insuitable form for speed in later calculations. More...
 
double calculateCounts (CurveFitting::MSVesuvioHelper::RandomVariateGenerator &rng, const DetectorParams &detpar, const Functions::ResolutionParams &respar, MSVesuvioHelper::Simulation &simulation) const
 
std::pair< double, double > calculateE1Range (const double theta, const double en0) const
 
void calculateMS (CurveFitting::MSVesuvioHelper::RandomVariateGenerator &rng, const size_t wsIndex, API::ISpectrum &totalsc, API::ISpectrum &multsc) const
 Calculate the total scattering and contributions from higher-order scattering for given spectrum. More...
 
void exec () override
 Execute the algorithm. More...
 
Kernel::V3D generateDetectorPos (CurveFitting::MSVesuvioHelper::RandomVariateGenerator &rng, const Kernel::V3D &nominalPos, const double energy, const Kernel::V3D &scatterPt, const Kernel::V3D &direcBeforeSc, double &scang, double &distToExit) const
 Generate a random position within the final detector in the lab frame. More...
 
double generateE0 (CurveFitting::MSVesuvioHelper::RandomVariateGenerator &rng, const double l1, const double t2, double &weight) const
 Generate an incident energy based on a randomly-selected TOF value It is assigned a weight = (2.0*E0/(T-t2))/E0^0.9. More...
 
double generateE1 (CurveFitting::MSVesuvioHelper::RandomVariateGenerator &rng, const double angle, const double e1nom, const double e1res) const
 Generate the final energy of the analyser. More...
 
bool generateScatter (CurveFitting::MSVesuvioHelper::RandomVariateGenerator &rng, const Kernel::V3D &startPos, const Kernel::V3D &direc, double &weight, Kernel::V3D &scatterPt) const
 Generate a scatter event and update the weight according to the amount the beam would be attenuted by the sample. More...
 
Kernel::V3D generateSrcPos (CurveFitting::MSVesuvioHelper::RandomVariateGenerator &rng, const double l1) const
 Sample from the moderator assuming it can be seen as a cylindrical ring with inner and outer radius. More...
 
double generateTOF (CurveFitting::MSVesuvioHelper::RandomVariateGenerator &rng, const double en0, const double dtof, const double dl1) const
 Generate an initial tof from this distribution: 1-(0.5*X**2/T0**2+X/T0+1)*EXP(-X/T0), where x is the time and t0 is the src-sample time. More...
 
void init () override
 Initialize the algorithm's properties. More...
 
double partialDiffXSec (const double en0, const double en1, const double theta) const
 Compute the partial differential cross section for this energy and theta. More...
 
void simulate (CurveFitting::MSVesuvioHelper::RandomVariateGenerator &rng, const DetectorParams &detpar, const Functions::ResolutionParams &respar, MSVesuvioHelper::Simulation &simulCounts) const
 Perform a single simulation of a given number of events for up to a maximum number of scatterings on a chosen detector. More...
 

Private Attributes

size_t m_acrossIdx
 
Kernel::V3D m_beamDir
 
size_t m_beamIdx
 
double m_delt
 
double m_detHeight
 
double m_detThick
 
double m_detWidth
 
double m_foilRes
 
double m_halfSampleHeight
 
double m_halfSampleThick
 
double m_halfSampleWidth
 
API::MatrixWorkspace_sptr m_inputWS
 
size_t m_nevents
 
size_t m_nruns
 
size_t m_nscatters
 
std::unique_ptr< API::Progressm_progress
 
std::unique_ptr< SampleComptonPropertiesm_sampleProps
 
Geometry::IObject const * m_sampleShape
 
double m_srcR2
 
double m_tmax
 
double m_tmin
 
size_t m_upIdx
 

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

Calculates the multiple scattering & total scattering contributions for a flat-plate or cylindrical sample.

Definition at line 39 of file VesuvioCalculateMS.h.

Constructor & Destructor Documentation

◆ VesuvioCalculateMS()

Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::VesuvioCalculateMS ( )

Constructor.

Definition at line 52 of file VesuvioCalculateMS.cpp.

Member Function Documentation

◆ assignToOutput()

void Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::assignToOutput ( const MSVesuvioHelper::SimulationWithErrors avgCounts,
API::ISpectrum totalsc,
API::ISpectrum multsc 
) const
private

Assign the averaged counts to the correct workspaces.

Parameters
avgCountsCounts & errors separated for each scattering order
totalscA non-const reference to the spectrum for the total scattering calculation
multscA non-const reference to the spectrum for the multiple scattering contribution

Definition at line 338 of file VesuvioCalculateMS.cpp.

References Mantid::CurveFitting::MSVesuvioHelper::Simulation::counts, Mantid::CurveFitting::MSVesuvioHelper::SimulationWithErrors::errors, m_nscatters, Mantid::API::ISpectrum::mutableE(), Mantid::API::ISpectrum::mutableY(), and Mantid::CurveFitting::MSVesuvioHelper::SimulationWithErrors::sim.

Referenced by calculateMS().

◆ cacheInputs()

void Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::cacheInputs ( )
private

◆ calculateCounts()

double Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::calculateCounts ( CurveFitting::MSVesuvioHelper::RandomVariateGenerator rng,
const DetectorParams detpar,
const Functions::ResolutionParams respar,
MSVesuvioHelper::Simulation simulation 
) const
private

◆ calculateE1Range()

std::pair< double, double > Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::calculateE1Range ( const double  theta,
const double  en0 
) const
private
Parameters
thetaNeutron scattering angle (radians)
en0Computed incident energy
Returns
The range of allowed final energies for the neutron

Definition at line 608 of file VesuvioCalculateMS.cpp.

References Mantid::PhysicalConstants::E_mev_toNeutronWavenumberSq, and m_sampleProps.

Referenced by calculateCounts().

◆ calculateMS()

void Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::calculateMS ( CurveFitting::MSVesuvioHelper::RandomVariateGenerator rng,
const size_t  wsIndex,
API::ISpectrum totalsc,
API::ISpectrum multsc 
) const
private

Calculate the total scattering and contributions from higher-order scattering for given spectrum.

Parameters
rngA reference to a PseudoRandomNumberGenerator
wsIndexThe index on the input workspace for the chosen spectrum
totalscA non-const reference to the spectrum that will contain the total scattering calculation
multscA non-const reference to the spectrum that will contain the multiple scattering contribution

Definition at line 288 of file VesuvioCalculateMS.cpp.

References assignToOutput(), Mantid::CurveFitting::MSVesuvioHelper::SimulationAggregator::average(), Mantid::CurveFitting::Algorithms::ConvertToYSpace::getDetectorParameters(), Mantid::CurveFitting::Functions::VesuvioResolution::getResolutionParameters(), m_inputWS, m_nruns, m_nscatters, m_progress, Mantid::CurveFitting::MSVesuvioHelper::SimulationAggregator::newSimulation(), Mantid::CurveFitting::MSVesuvioHelper::SimulationWithErrors::normalise(), simulate(), Mantid::CurveFitting::Algorithms::DetectorParams::t0, and std::to_string().

Referenced by exec().

◆ category()

const std::string Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::category ( ) const
inlineoverridevirtual

function to return a category of the algorithm.

A default implementation is provided

Reimplemented from Mantid::API::Algorithm.

Definition at line 65 of file VesuvioCalculateMS.h.

◆ exec()

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

◆ generateDetectorPos()

V3D Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::generateDetectorPos ( CurveFitting::MSVesuvioHelper::RandomVariateGenerator rng,
const Kernel::V3D nominalPos,
const double  energy,
const Kernel::V3D scatterPt,
const Kernel::V3D direcBeforeSc,
double &  scang,
double &  distToExit 
) const
private

Generate a random position within the final detector in the lab frame.

Parameters
rngA reference to a PseudoRandomNumberGenerator
nominalPosThe poisiton of the centre point of the detector
energyThe final energy of the neutron
scatterPtThe position of the scatter event that lead to this detector
direcBeforeScDirectional vector that lead to scatter point that hit this detector
scang[Output] The value of the scattering angle for the generated point
distToExit[Output] The distance covered within the object from scatter to exit
Returns
A new position in the detector

Definition at line 689 of file VesuvioCalculateMS.cpp.

References Mantid::Kernel::V3D::angle(), Mantid::Geometry::Track::cbegin(), energy, Mantid::CurveFitting::MSVesuvioHelper::RandomVariateGenerator::flat(), Mantid::Geometry::IObject::interceptSurface(), m_acrossIdx, m_beamIdx, m_detHeight, m_detThick, m_detWidth, m_sampleShape, m_upIdx, and Mantid::Kernel::normalize().

Referenced by calculateCounts().

◆ generateE0()

double Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::generateE0 ( CurveFitting::MSVesuvioHelper::RandomVariateGenerator rng,
const double  l1,
const double  t2,
double &  weight 
) const
private

Generate an incident energy based on a randomly-selected TOF value It is assigned a weight = (2.0*E0/(T-t2))/E0^0.9.

Parameters
rngA reference to a PseudoRandomNumberGenerator
l1Distance from src to sample (metres)
t2Nominal time from sample to detector (seconds)
weight[Out] Weight factor to modify for the generated energy value
Returns

Definition at line 517 of file VesuvioCalculateMS.cpp.

References Mantid::CurveFitting::MSVesuvioHelper::RandomVariateGenerator::flat(), m_tmax, and m_tmin.

Referenced by calculateCounts().

◆ generateE1()

double Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::generateE1 ( CurveFitting::MSVesuvioHelper::RandomVariateGenerator rng,
const double  angle,
const double  e1nom,
const double  e1res 
) const
private

Generate the final energy of the analyser.

Parameters
rngA reference to a PseudoRandomNumberGenerator
angleDetector angle from sample
e1nomThe nominal final energy of the analyzer
e1resThe resoltion in energy of the analyser
Returns
A value for the final energy of the neutron

Definition at line 739 of file VesuvioCalculateMS.cpp.

References Mantid::CurveFitting::MSVesuvioHelper::finalEnergyAuDD(), Mantid::CurveFitting::MSVesuvioHelper::finalEnergyAuYap(), Mantid::CurveFitting::MSVesuvioHelper::finalEnergyUranium(), and Mantid::CurveFitting::MSVesuvioHelper::RandomVariateGenerator::flat().

Referenced by calculateCounts().

◆ generateScatter()

bool Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::generateScatter ( CurveFitting::MSVesuvioHelper::RandomVariateGenerator rng,
const Kernel::V3D startPos,
const Kernel::V3D direc,
double &  weight,
Kernel::V3D scatterPt 
) const
private

Generate a scatter event and update the weight according to the amount the beam would be attenuted by the sample.

Parameters
rngA reference to a PseudoRandomNumberGenerator
startPosStarting position
direcDirection of travel for the neutron
weight[InOut] Multiply the incoming weight by the attenuation factor
scatterPt[Out] Generated scattering point
Returns
True if the scatter event was generated, false otherwise

Definition at line 579 of file VesuvioCalculateMS.cpp.

References Mantid::Geometry::Track::cbegin(), Mantid::CurveFitting::MSVesuvioHelper::RandomVariateGenerator::flat(), Mantid::Geometry::IObject::interceptSurface(), m_sampleProps, and m_sampleShape.

Referenced by calculateCounts().

◆ generateSrcPos()

V3D Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::generateSrcPos ( CurveFitting::MSVesuvioHelper::RandomVariateGenerator rng,
const double  l1 
) const
private

Sample from the moderator assuming it can be seen as a cylindrical ring with inner and outer radius.

Parameters
rngA reference to a PseudoRandomNumberGenerator
l1Src-sample distance (m)
Returns
Position on the moderator of the generated point

Definition at line 491 of file VesuvioCalculateMS.cpp.

References Mantid::CurveFitting::MSVesuvioHelper::RandomVariateGenerator::flat(), m_acrossIdx, m_beamIdx, m_srcR2, m_upIdx, and radius.

Referenced by calculateCounts().

◆ generateTOF()

double Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::generateTOF ( CurveFitting::MSVesuvioHelper::RandomVariateGenerator rng,
const double  en0,
const double  dtof,
const double  dl1 
) const
private

Generate an initial tof from this distribution: 1-(0.5*X**2/T0**2+X/T0+1)*EXP(-X/T0), where x is the time and t0 is the src-sample time.

Parameters
rngA reference to a PseudoRandomNumberGenerator
dtofError in time resolution (us)
en0Value of the incident energy
dl1S.d of moderator to sample distance
Returns
tof Guass TOF modified for asymmetric pulse

Definition at line 540 of file VesuvioCalculateMS.cpp.

References fabs, Mantid::CurveFitting::MSVesuvioHelper::RandomVariateGenerator::flat(), Mantid::CurveFitting::MSVesuvioHelper::RandomVariateGenerator::gaussian(), and Mantid::Geometry::y.

Referenced by calculateCounts().

◆ init()

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

◆ name()

const std::string Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::name ( ) const
inlineoverridevirtual

function to return a name of the algorithm, must be overridden in all algorithms

Implements Mantid::API::Algorithm.

Definition at line 61 of file VesuvioCalculateMS.h.

◆ partialDiffXSec()

double Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::partialDiffXSec ( const double  en0,
const double  en1,
const double  theta 
) const
private

Compute the partial differential cross section for this energy and theta.

Parameters
en0Initial energy (meV)
en1Final energy (meV)
thetaScattering angle
Returns
Value of differential cross section

Definition at line 642 of file VesuvioCalculateMS.cpp.

References Mantid::PhysicalConstants::E_mev_toNeutronWavenumberSq, m_sampleProps, and Mantid::Geometry::y.

Referenced by calculateCounts().

◆ seeAlso()

const std::vector< std::string > Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::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 72 of file VesuvioCalculateMS.h.

◆ simulate()

void Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::simulate ( CurveFitting::MSVesuvioHelper::RandomVariateGenerator rng,
const DetectorParams detpar,
const Functions::ResolutionParams respar,
MSVesuvioHelper::Simulation simulCounts 
) const
private

Perform a single simulation of a given number of events for up to a maximum number of scatterings on a chosen detector.

Parameters
rngA reference to a PseudoRandomNumberGenerator
detparDetector information describing the final detector position
resparResolution information on the intrument as a whole
simulCountsSimulation object used to storing the calculated number of counts

Definition at line 322 of file VesuvioCalculateMS.cpp.

References calculateCounts(), and m_nevents.

Referenced by calculateMS().

◆ summary()

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

function returns a summary message that will be displayed in the default GUI, and in the help.

Implements Mantid::API::Algorithm.

Definition at line 67 of file VesuvioCalculateMS.h.

◆ version()

int Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::version ( ) const
inlineoverridevirtual

function to return a version of the algorithm, must be overridden in all algorithms

Implements Mantid::API::Algorithm.

Definition at line 63 of file VesuvioCalculateMS.h.

Member Data Documentation

◆ m_acrossIdx

size_t Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_acrossIdx
private

◆ m_beamDir

Kernel::V3D Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_beamDir
private

Definition at line 110 of file VesuvioCalculateMS.h.

Referenced by cacheInputs(), and calculateCounts().

◆ m_beamIdx

size_t Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_beamIdx
private

Definition at line 109 of file VesuvioCalculateMS.h.

Referenced by cacheInputs(), generateDetectorPos(), and generateSrcPos().

◆ m_delt

double Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_delt
private

Definition at line 116 of file VesuvioCalculateMS.h.

Referenced by cacheInputs(), and calculateCounts().

◆ m_detHeight

double Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_detHeight
private

Definition at line 115 of file VesuvioCalculateMS.h.

Referenced by cacheInputs(), and generateDetectorPos().

◆ m_detThick

double Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_detThick
private

Definition at line 115 of file VesuvioCalculateMS.h.

Referenced by cacheInputs(), and generateDetectorPos().

◆ m_detWidth

double Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_detWidth
private

Definition at line 115 of file VesuvioCalculateMS.h.

Referenced by cacheInputs(), and generateDetectorPos().

◆ m_foilRes

double Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_foilRes
private

Definition at line 117 of file VesuvioCalculateMS.h.

Referenced by cacheInputs(), and calculateCounts().

◆ m_halfSampleHeight

double Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_halfSampleHeight
private

Definition at line 112 of file VesuvioCalculateMS.h.

Referenced by cacheInputs(), and calculateCounts().

◆ m_halfSampleThick

double Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_halfSampleThick
private

Definition at line 112 of file VesuvioCalculateMS.h.

Referenced by cacheInputs().

◆ m_halfSampleWidth

double Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_halfSampleWidth
private

Definition at line 112 of file VesuvioCalculateMS.h.

Referenced by cacheInputs(), and calculateCounts().

◆ m_inputWS

API::MatrixWorkspace_sptr Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_inputWS
private

Definition at line 124 of file VesuvioCalculateMS.h.

Referenced by cacheInputs(), calculateCounts(), calculateMS(), and exec().

◆ m_nevents

size_t Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_nevents
private

Definition at line 121 of file VesuvioCalculateMS.h.

Referenced by cacheInputs(), and simulate().

◆ m_nruns

size_t Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_nruns
private

Definition at line 120 of file VesuvioCalculateMS.h.

Referenced by cacheInputs(), calculateMS(), and exec().

◆ m_nscatters

size_t Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_nscatters
private

Definition at line 119 of file VesuvioCalculateMS.h.

Referenced by assignToOutput(), cacheInputs(), calculateCounts(), and calculateMS().

◆ m_progress

std::unique_ptr<API::Progress> Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_progress
private

Definition at line 123 of file VesuvioCalculateMS.h.

Referenced by calculateMS(), and exec().

◆ m_sampleProps

std::unique_ptr<SampleComptonProperties> Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_sampleProps
private

◆ m_sampleShape

Geometry::IObject const* Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_sampleShape
private

Definition at line 113 of file VesuvioCalculateMS.h.

Referenced by cacheInputs(), generateDetectorPos(), and generateScatter().

◆ m_srcR2

double Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_srcR2
private

Definition at line 111 of file VesuvioCalculateMS.h.

Referenced by cacheInputs(), and generateSrcPos().

◆ m_tmax

double Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_tmax
private

Definition at line 116 of file VesuvioCalculateMS.h.

Referenced by cacheInputs(), and generateE0().

◆ m_tmin

double Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_tmin
private

Definition at line 116 of file VesuvioCalculateMS.h.

Referenced by cacheInputs(), and generateE0().

◆ m_upIdx

size_t Mantid::CurveFitting::Algorithms::VesuvioCalculateMS::m_upIdx
private

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