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Public Member Functions | Protected Member Functions | Private Attributes | List of all members
Mantid::Geometry::BraggScatterer Class Referenceabstract

BraggScatterer is a general interface for representing scatterers in the unit cell of a periodic structure. More...

#include <BraggScatterer.h>

Inheritance diagram for Mantid::Geometry::BraggScatterer:
Mantid::Kernel::PropertyManager Mantid::Kernel::IPropertyManager Mantid::Geometry::BraggScattererInCrystalStructure Mantid::Geometry::CompositeBraggScatterer Mantid::Geometry::IsotropicAtomBraggScatterer

Public Member Functions

 BraggScatterer ()
 Default constructor. More...
 
double calculateFSquared (const Kernel::V3D &hkl) const
 Returns |F(hkl)|^2. More...
 
virtual StructureFactor calculateStructureFactor (const Kernel::V3D &hkl) const =0
 
virtual BraggScatterer_sptr clone () const =0
 
void initialize ()
 Initialization method that calls declareProperties() and sets initialized state to true. More...
 
bool isInitialized ()
 Returns whether the instance has been initialized. More...
 
bool isPropertyExposedToComposite (const std::string &propertyName) const
 Checks whether a property with the given name is exposed to BraggScattererComposite. More...
 
bool isPropertyExposedToComposite (Kernel::Property *property) const
 Checks if a property is exposed to BraggScattererComposite or throws std::invalid_argument if a null-pointer is supplied. More...
 
virtual std::string name () const =0
 
- Public Member Functions inherited from Mantid::Kernel::PropertyManager
::Json::Value asJson (bool withDefaultValues=false) const override
 Return the property manager serialized as a json object. More...
 
std::string asString (bool withDefaultValues=false) const override
 Return the property manager serialized as a string. More...
 
void clear () override
 Clears the whole property map. More...
 
void declareOrReplaceProperty (std::unique_ptr< Property > p, const std::string &doc="") override
 Add or replace a property in the list of managed properties. 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...
 
void declareProperty (std::unique_ptr< Property > p, const std::string &doc="") override
 Add a property 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...
 
bool existsProperty (const std::string &name) const override
 Checks whether the named property is already in the list of managed property. More...
 
void filterByProperty (const TimeSeriesProperty< bool > &filter, const std::vector< std::string > &excludedFromFiltering=std::vector< std::string >()) override
 Filter the managed properties by the given boolean property mask. More...
 
void filterByTime (const Types::Core::DateAndTime &start, const Types::Core::DateAndTime &stop) override
 Filter out a run by time. More...
 
std::vector< std::string > getDeclaredPropertyNames () const noexcept override
 Return the list of declared property names. More...
 
PropertygetPointerToProperty (const std::string &name) const override
 Get a property by name. More...
 
const std::vector< Property * > & getProperties () const override
 Get the list of managed properties. More...
 
TypedValue getProperty (const std::string &name) const override
 Get the value of a property. More...
 
std::string getPropertyValue (const std::string &name) const override
 Get the value of a property as a string. More...
 
bool operator!= (const PropertyManager &other) const
 
PropertyManageroperator+= (const PropertyManager &rhs)
 Addition operator. More...
 
PropertyManageroperator= (const PropertyManager &)
 Assignment operator - performs a deep copy. More...
 
bool operator== (const PropertyManager &other) const
 
size_t propertyCount () const override
 Count the number of properties under management. More...
 
 PropertyManager ()
 Default constructor. More...
 
 PropertyManager (const PropertyManager &)
 copy constructor More...
 
void removeProperty (const std::string &name, const bool delproperty=true) override
 removes the property from properties map More...
 
void resetProperties () override
 Reset property values back to initial values (blank or default values) More...
 
void setProperties (const ::Json::Value &jsonValue, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >(), bool createMissing=false) override
 Set the ordered list of properties by a json value collection. More...
 
void setProperties (const ::Json::Value &jsonValue, IPropertyManager *targetPropertyManager, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >(), bool createMissing=false)
 Set the ordered list of properties by a json value collection. 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 std::string &propertiesJson, IPropertyManager *targetPropertyManager, const std::unordered_set< std::string > &ignoreProperties, bool createMissing=false)
 Set the ordered list of properties by one string of values, separated by semicolons. 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 setPropertyOrdinal (const int &index, const std::string &value) override
 Set the value of a property by an index N.B. 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. More...
 
void splitByTime (std::vector< SplittingInterval > &splitter, std::vector< PropertyManager * > outputs) const override
 Split a run by time (splits the TimeSeriesProperties contained). More...
 
std::unique_ptr< PropertytakeProperty (const size_t index) override
 removes the property from the properties map and returns a pointer to it More...
 
bool validateProperties () const override
 Validates all the properties in the collection. More...
 
virtual ~PropertyManager () override
 Virtual destructor. More...
 
- 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
 

Protected Member Functions

void afterPropertySet (const std::string &) override
 Base implementation does nothing, can be re-implemented by subclasses. More...
 
virtual void declareProperties ()
 Base implementation does nothing - for implementing classes only. More...
 
void exposePropertyToComposite (const std::string &propertyName)
 Exposes the property with the supplied name to BraggScattererComposite. More...
 
const std::string & getPropagatingGroupName () const
 Returns the group name that is used to mark properties that are propagated. More...
 
void unexposePropertyFromComposite (const std::string &propertyName)
 Removes exposure to composite for specified property. More...
 
- Protected Member Functions inherited from Mantid::Kernel::PropertyManager
PropertygetPointerToPropertyOrdinal (const int &index) const override
 Get a property by an index. More...
 
PropertygetPointerToPropertyOrNull (const std::string &name) const
 Get a property by name. More...
 
- 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
 

Private Attributes

bool m_isInitialized
 
std::string m_propagatingGroupName
 

Additional Inherited Members

- Static Public Member Functions inherited from Mantid::Kernel::PropertyManager
static std::string getInvalidValuesFilterLogName (const std::string &logName)
 Gets the correct log name for the matching invalid values log for a given log name. More...
 
static std::string getLogNameFromInvalidValuesFilter (const std::string &logName)
 
static bool isAnInvalidValuesFilterLog (const std::string &logName)
 
- Static Public Attributes inherited from Mantid::Kernel::PropertyManager
static const std::string INVALID_VALUES_SUFFIX = "_invalid_values"
 

Detailed Description

BraggScatterer is a general interface for representing scatterers in the unit cell of a periodic structure.

Since there are many possibilities of modelling scatterers, BraggScatterer is derived from PropertyManager. This way, new scatterers with very different parameters can be added easily.

New implementations must override the declareProperties method and define any parameters there. For most applications it should be easier to inherit from BraggScattererInCrystalStructure, which provides some default properties that are useful in many cases. CompositeBraggScatterer is designed to combine several scatterers.

CompositeBraggScatterer does not declare any properties by itself. For some properties it makes sense to be equal for all scatterers in the composite. This behavior can be achieved by calling the method makePropertyPropagating after it has been declared. Examples are the UnitCell and SpaceGroup properties in BraggScattererInCrystalStructure.

Construction of concrete scatterers is done through ScattererFactory.

Author
Michael Wedel, Paul Scherrer Institut - SINQ
Date
20/10/2014

Definition at line 53 of file BraggScatterer.h.

Constructor & Destructor Documentation

◆ BraggScatterer()

Mantid::Geometry::BraggScatterer::BraggScatterer ( )

Default constructor.

Definition at line 14 of file BraggScatterer.cpp.

Member Function Documentation

◆ afterPropertySet()

void Mantid::Geometry::BraggScatterer::afterPropertySet ( const std::string &  )
inlineoverrideprotectedvirtual

Base implementation does nothing, can be re-implemented by subclasses.

Reimplemented from Mantid::Kernel::IPropertyManager.

Reimplemented in Mantid::Geometry::BraggScattererInCrystalStructure, and Mantid::Geometry::CompositeBraggScatterer.

Definition at line 71 of file BraggScatterer.h.

◆ calculateFSquared()

double Mantid::Geometry::BraggScatterer::calculateFSquared ( const Kernel::V3D hkl) const

Returns |F(hkl)|^2.

Definition at line 29 of file BraggScatterer.cpp.

References calculateStructureFactor().

◆ calculateStructureFactor()

virtual StructureFactor Mantid::Geometry::BraggScatterer::calculateStructureFactor ( const Kernel::V3D hkl) const
pure virtual

◆ clone()

virtual BraggScatterer_sptr Mantid::Geometry::BraggScatterer::clone ( ) const
pure virtual

◆ declareProperties()

virtual void Mantid::Geometry::BraggScatterer::declareProperties ( )
inlineprotectedvirtual

Base implementation does nothing - for implementing classes only.

Reimplemented in Mantid::Geometry::BraggScattererInCrystalStructure.

Definition at line 74 of file BraggScatterer.h.

Referenced by initialize().

◆ exposePropertyToComposite()

void Mantid::Geometry::BraggScatterer::exposePropertyToComposite ( const std::string &  propertyName)
protected

Exposes the property with the supplied name to BraggScattererComposite.

When a property is marked to be exposed to BraggScattererComposite, the composite also declares this property and tries to propagate the value assigned to the composite's property to all its members.

Parameters
propertyName:: Name of the parameter that should be exposed.

Definition at line 62 of file BraggScatterer.cpp.

References m_propagatingGroupName, and Mantid::Kernel::IPropertyManager::setPropertyGroup().

Referenced by Mantid::Geometry::BraggScattererInCrystalStructure::declareProperties().

◆ getPropagatingGroupName()

const std::string & Mantid::Geometry::BraggScatterer::getPropagatingGroupName ( ) const
protected

Returns the group name that is used to mark properties that are propagated.

Definition at line 72 of file BraggScatterer.cpp.

References m_propagatingGroupName.

Referenced by isPropertyExposedToComposite(), and Mantid::Geometry::CompositeBraggScatterer::redeclareProperties().

◆ initialize()

void Mantid::Geometry::BraggScatterer::initialize ( )

Initialization method that calls declareProperties() and sets initialized state to true.

Definition at line 19 of file BraggScatterer.cpp.

References declareProperties(), and m_isInitialized.

◆ isInitialized()

bool Mantid::Geometry::BraggScatterer::isInitialized ( )

Returns whether the instance has been initialized.

Definition at line 26 of file BraggScatterer.cpp.

References m_isInitialized.

◆ isPropertyExposedToComposite() [1/2]

bool Mantid::Geometry::BraggScatterer::isPropertyExposedToComposite ( const std::string &  propertyName) const

Checks whether a property with the given name is exposed to BraggScattererComposite.

Definition at line 37 of file BraggScatterer.cpp.

References Mantid::Kernel::PropertyManager::getProperty(), and isPropertyExposedToComposite().

Referenced by isPropertyExposedToComposite().

◆ isPropertyExposedToComposite() [2/2]

bool Mantid::Geometry::BraggScatterer::isPropertyExposedToComposite ( Kernel::Property property) const

Checks if a property is exposed to BraggScattererComposite or throws std::invalid_argument if a null-pointer is supplied.

Definition at line 45 of file BraggScatterer.cpp.

References getPropagatingGroupName().

◆ name()

virtual std::string Mantid::Geometry::BraggScatterer::name ( ) const
pure virtual

◆ unexposePropertyFromComposite()

void Mantid::Geometry::BraggScatterer::unexposePropertyFromComposite ( const std::string &  propertyName)
protected

Removes exposure to composite for specified property.

Definition at line 67 of file BraggScatterer.cpp.

References Mantid::Kernel::IPropertyManager::setPropertyGroup().

Member Data Documentation

◆ m_isInitialized

bool Mantid::Geometry::BraggScatterer::m_isInitialized
private

Definition at line 83 of file BraggScatterer.h.

Referenced by initialize(), and isInitialized().

◆ m_propagatingGroupName

std::string Mantid::Geometry::BraggScatterer::m_propagatingGroupName
private

Definition at line 82 of file BraggScatterer.h.

Referenced by exposePropertyToComposite(), and getPropagatingGroupName().


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