#include <FeatureContainer.hpp>

Inheritance diagram for CDPL::Pharm::FeatureContainer:

Public Types
typedef std::shared_ptr< FeatureContainer >	SharedPointer
	A reference-counted smart pointer [SHPTR] for dynamically allocated `FeatureContainer` instances. More...

typedef Util::IndexedElementIterator< const Feature, ConstFeatureAccessor >	ConstFeatureIterator
	A constant random access iterator used to iterate over the stored `const` Pharm::Feature objects. More...

typedef Util::IndexedElementIterator< Feature, FeatureAccessor >	FeatureIterator
	A mutable random access iterator used to iterate over the stored Pharm::Feature objects. More...

Public Types inherited from CDPL::Chem::Entity3DContainer
typedef Util::IndexedElementIterator< const Entity3D, ConstEntityAccessor >	ConstEntityIterator
	A constant random access iterator used to iterate over the stored `const` Chem::Entity3D objects. More...

typedef Util::IndexedElementIterator< Entity3D, EntityAccessor >	EntityIterator
	A mutable random access iterator used to iterate over the stored Chem::Entity3D objects. More...

Public Types inherited from CDPL::Base::PropertyContainer
typedef PropertyMap::value_type	PropertyEntry
	A Base::LookupKey / Base::Any pair that stores the property value for a given property key. More...

typedef PropertyMap::const_iterator	ConstPropertyIterator
	A constant iterator used to iterate over the property entries. More...

Public Member Functions
virtual	~FeatureContainer ()
	Virtual destructor. More...

virtual std::size_t	getNumFeatures () const =0
	Returns the number of contained features. More...

virtual const Feature &	getFeature (std::size_t idx) const =0
	Returns a `const` reference to the feature at index idx. More...

virtual Feature &	getFeature (std::size_t idx)=0
	Returns a non-`const` reference to the pharmacophore feature at index idx. More...

virtual std::size_t	getFeatureIndex (const Feature &feature) const =0
	Returns the index of the specified feature. More...

virtual bool	containsFeature (const Feature &feature) const =0
	Tells whether the specified feature instance is stored in this pharmacophore. More...

ConstFeatureIterator	getFeaturesBegin () const
	Returns a constant iterator pointing to the beginning of the stored `const` Pharm::Feature objects. More...

ConstFeatureIterator	getFeaturesEnd () const
	Returns a constant iterator pointing to the end of the stored `const` Pharm::Feature objects. More...

FeatureIterator	getFeaturesBegin ()
	Returns a mutable iterator pointing to the beginning of the stored Pharm::Feature objects. More...

FeatureIterator	getFeaturesEnd ()
	Returns a mutable iterator pointing to the end of the stored Pharm::Feature objects. More...

ConstFeatureIterator	begin () const
	Returns a constant iterator pointing to the beginning of the stored `const` Pharm::Feature objects. More...

ConstFeatureIterator	end () const
	Returns a constant iterator pointing to the end of the stored `const` Pharm::Feature objects. More...

FeatureIterator	begin ()
	Returns a mutable iterator pointing to the beginning of the stored Pharm::Feature objects. More...

FeatureIterator	end ()
	Returns a mutable iterator pointing to the end of the stored Pharm::Feature objects. More...

virtual std::size_t	getNumEntities () const
	Returns the number of stored Chem::Entity3D objects. More...

virtual const Chem::Entity3D &	getEntity (std::size_t idx) const
	Returns a `const` reference to the Chem::Entity3D instance at index idx. More...

virtual Chem::Entity3D &	getEntity (std::size_t idx)
	Returns a non-`const` reference to the entity at index idx. More...

Public Member Functions inherited from CDPL::Chem::Entity3DContainer
ConstEntityIterator	getEntitiesBegin () const
	Returns a constant iterator pointing to the beginning of the stored `const` Chem::Entity3D objects. More...

ConstEntityIterator	getEntitiesEnd () const
	Returns a constant iterator pointing to the end of the stored `const` Chem::Entity3D objects. More...

EntityIterator	getEntitiesBegin ()
	Returns a mutable iterator pointing to the beginning of the stored Chem::Entity3D objects. More...

EntityIterator	getEntitiesEnd ()
	Returns a mutable iterator pointing to the end of the stored Chem::Entity3D objects. More...

ConstEntityIterator	begin () const
	Returns a constant iterator pointing to the beginning of the stored `const` Chem::Entity3D objects. More...

ConstEntityIterator	end () const
	Returns a constant iterator pointing to the end of the stored `const` Chem::Entity3D objects. More...

EntityIterator	begin ()
	Returns a mutable iterator pointing to the beginning of the stored Chem::Entity3D objects. More...

EntityIterator	end ()
	Returns a mutable iterator pointing to the end of the stored Chem::Entity3D objects. More...

const Entity3DContainer &	getEntities () const
	Returns a `const` reference to itself. More...

Entity3DContainer &	getEntities ()
	Returns a reference to itself. More...

Public Member Functions inherited from CDPL::Base::PropertyContainer
std::size_t	getNumProperties () const
	Returns the number of property entries. More...

template<typename T >
void	setProperty (const LookupKey &key, T &&val)
	Sets the value of the property specified by key to val. More...

template<typename T >
const T &	getProperty (const LookupKey &key) const
	Returns the value of the property specified by key as a `const` reference to an object of type T. More...

template<typename T >
const T &	getPropertyOrDefault (const LookupKey &key, const T &def_val) const
	Returns the value of the property specified by key as a `const` reference to an object of type T, or the default value def_val if a stored value does not exist. More...

const Any &	getProperty (const LookupKey &key, bool throw_=false) const
	Returns the value of the property specified by key. More...

bool	isPropertySet (const LookupKey &key) const
	Tells whether or not a value has been assigned to the property specified by key. More...

ConstPropertyIterator	getPropertiesBegin () const
	Returns a constant iterator pointing to the beginning of the property entries. More...

ConstPropertyIterator	getPropertiesEnd () const
	Returns a constant iterator pointing to the end of the property entries. More...

ConstPropertyIterator	begin () const
	Returns a constant iterator pointing to the beginning of the property entries. More...

ConstPropertyIterator	end () const
	Returns a constant iterator pointing to the end of the property entries. More...

bool	removeProperty (const LookupKey &key)
	Clears the value of the property specified by key. More...

void	clearProperties ()
	Clears all property values. More...

void	addProperties (const PropertyContainer &cntnr)
	Adds the property value entries in the `PropertyContainer` instance cntnr. More...

void	copyProperties (const PropertyContainer &cntnr)
	Replaces the current set of properties by a copy of the entries in cntnr. More...

void	swap (PropertyContainer &cntnr)
	Exchanges the properties of this container with the properties of the container cntnr. More...

const PropertyContainer &	getProperties () const
	Returns a `const` reference to itself. More...

Protected Member Functions
FeatureContainer &	operator= (const FeatureContainer &cntnr)
	Replaces the current set of pharmacophore features and properties by a copy of the features and properties of the container cntnr. More...

Protected Member Functions inherited from CDPL::Chem::Entity3DContainer
virtual	~Entity3DContainer ()
	Virtual destructor. More...

Entity3DContainer &	operator= (const Entity3DContainer &cntnr)
	Assignment operator. More...

Protected Member Functions inherited from CDPL::Base::PropertyContainer
	PropertyContainer ()
	Constructs an empty `PropertyContainer` instance. More...

	PropertyContainer (const PropertyContainer &cntnr)
	Constructs a copy of the `PropertyContainer` instance cntnr. More...

virtual	~PropertyContainer ()
	Virtual destructor. More...

PropertyContainer &	operator= (const PropertyContainer &cntnr)
	Assignment operator. More...

Detailed Description

FeatureContainer.

Member Typedef Documentation

◆ SharedPointer

typedef std::shared_ptr<FeatureContainer> CDPL::Pharm::FeatureContainer::SharedPointer

A reference-counted smart pointer [SHPTR] for dynamically allocated FeatureContainer instances.

◆ ConstFeatureIterator

typedef Util::IndexedElementIterator<const Feature, ConstFeatureAccessor> CDPL::Pharm::FeatureContainer::ConstFeatureIterator

A constant random access iterator used to iterate over the stored const Pharm::Feature objects.

◆ FeatureIterator

typedef Util::IndexedElementIterator<Feature, FeatureAccessor> CDPL::Pharm::FeatureContainer::FeatureIterator

A mutable random access iterator used to iterate over the stored Pharm::Feature objects.

Constructor & Destructor Documentation

◆ ~FeatureContainer()

virtual CDPL::Pharm::FeatureContainer::~FeatureContainer ( )

inlinevirtual

Virtual destructor.

Member Function Documentation

◆ getNumFeatures()

virtual std::size_t CDPL::Pharm::FeatureContainer::getNumFeatures ( ) const

pure virtual

Returns the number of contained features.

Returns: The number of features.

Implemented in CDPL::Pharm::Pharmacophore, CDPL::Pharm::FeatureSet, and CDPL::Pharm::BasicPharmacophore.

◆ getFeature() [1/2]

virtual const Feature& CDPL::Pharm::FeatureContainer::getFeature ( std::size_t idx ) const

pure virtual

Returns a const reference to the feature at index idx.

Parameters

idx	The zero-based index of the feature to return.

Returns: A const reference to the feature at the specified index.

Exceptions

Base::IndexError if the number of features is zero or idx is not in the range [0, getNumFeatures() - 1].

Implemented in CDPL::Pharm::Pharmacophore, CDPL::Pharm::FeatureSet, and CDPL::Pharm::BasicPharmacophore.

◆ getFeature() [2/2]

virtual Feature& CDPL::Pharm::FeatureContainer::getFeature ( std::size_t idx )

pure virtual

Returns a non-const reference to the pharmacophore feature at index idx.

Parameters

idx	The zero-based index of the feature to return.

Returns: A non-const reference to the feature at the specified index.

Exceptions

Base::IndexError if the number of features is zero or idx is not in the range [0, getNumFeatures() - 1].

Implemented in CDPL::Pharm::Pharmacophore, CDPL::Pharm::FeatureSet, and CDPL::Pharm::BasicPharmacophore.

◆ getFeatureIndex()

virtual std::size_t CDPL::Pharm::FeatureContainer::getFeatureIndex ( const Feature & feature ) const

pure virtual

Returns the index of the specified feature.

Parameters

feature The feature instance for which to return the index.

Returns: The zero-based index of the specified feature instance.

Exceptions

Base::ItemNotFound if the specified feature instance could not be found.

Implemented in CDPL::Pharm::FeatureSet, CDPL::Pharm::Pharmacophore, and CDPL::Pharm::BasicPharmacophore.

◆ containsFeature()

virtual bool CDPL::Pharm::FeatureContainer::containsFeature ( const Feature & feature ) const

pure virtual

Tells whether the specified feature instance is stored in this pharmacophore.

Parameters

feature The feature to look for.

Returns: true if feature is stored in the pharmacophore, and false otherwise.

Implemented in CDPL::Pharm::FeatureSet, CDPL::Pharm::Pharmacophore, and CDPL::Pharm::BasicPharmacophore.

◆ getFeaturesBegin() [1/2]

ConstFeatureIterator CDPL::Pharm::FeatureContainer::getFeaturesBegin ( ) const

Returns a constant iterator pointing to the beginning of the stored const Pharm::Feature objects.

Returns: A constant iterator pointing to the beginning of the stored const Pharm::Feature objects.

◆ getFeaturesEnd() [1/2]

ConstFeatureIterator CDPL::Pharm::FeatureContainer::getFeaturesEnd ( ) const

Returns a constant iterator pointing to the end of the stored const Pharm::Feature objects.

Returns: A constant iterator pointing to the end of the stored const Pharm::Feature objects.

◆ getFeaturesBegin() [2/2]

FeatureIterator CDPL::Pharm::FeatureContainer::getFeaturesBegin ( )

Returns a mutable iterator pointing to the beginning of the stored Pharm::Feature objects.

Returns: A mutable iterator pointing to the beginning of the stored Pharm::Feature objects.

◆ getFeaturesEnd() [2/2]

FeatureIterator CDPL::Pharm::FeatureContainer::getFeaturesEnd ( )

Returns a mutable iterator pointing to the end of the stored Pharm::Feature objects.

Returns: A mutable iterator pointing to the end of the stored Pharm::Feature objects.

◆ begin() [1/2]

ConstFeatureIterator CDPL::Pharm::FeatureContainer::begin ( ) const

Returns a constant iterator pointing to the beginning of the stored const Pharm::Feature objects.

Returns: A constant iterator pointing to the beginning of the stored const Pharm::Feature objects.

◆ end() [1/2]

ConstFeatureIterator CDPL::Pharm::FeatureContainer::end ( ) const

Returns a constant iterator pointing to the end of the stored const Pharm::Feature objects.

Returns: A constant iterator pointing to the end of the stored const Pharm::Feature objects.

◆ begin() [2/2]

FeatureIterator CDPL::Pharm::FeatureContainer::begin ( )

Returns a mutable iterator pointing to the beginning of the stored Pharm::Feature objects.

Returns: A mutable iterator pointing to the beginning of the stored Pharm::Feature objects.

◆ end() [2/2]

FeatureIterator CDPL::Pharm::FeatureContainer::end ( )

Returns a mutable iterator pointing to the end of the stored Pharm::Feature objects.

Returns: A mutable iterator pointing to the end of the stored Pharm::Feature objects.

◆ getNumEntities()

virtual std::size_t CDPL::Pharm::FeatureContainer::getNumEntities ( ) const

virtual

Returns the number of stored Chem::Entity3D objects.

Returns: The number of stored Chem::Entity3D objects.

Implements CDPL::Chem::Entity3DContainer.

◆ getEntity() [1/2]

virtual const Chem::Entity3D& CDPL::Pharm::FeatureContainer::getEntity ( std::size_t idx ) const

virtual

Returns a const reference to the Chem::Entity3D instance at index idx.

Parameters

idx	The zero-based index of the Chem::Entity3D instance to return.

Returns: A const reference to the Chem::Entity3D instance at the specified index.

Exceptions

Base::IndexError if the container is empty or idx is not in the range [0, getNumEntities() - 1].

Implements CDPL::Chem::Entity3DContainer.

◆ getEntity() [2/2]

virtual Chem::Entity3D& CDPL::Pharm::FeatureContainer::getEntity ( std::size_t idx )

virtual

Returns a non-const reference to the entity at index idx.

Parameters

idx	The zero-based index of the Chem::Entity3D instance to return.

Returns: A non-const reference to the entity at the specified index.

Exceptions

Base::IndexError if the number of entities is zero or idx is not in the range [0, getNumEntities() - 1].

Implements CDPL::Chem::Entity3DContainer.

◆ operator=()

FeatureContainer& CDPL::Pharm::FeatureContainer::operator= ( const FeatureContainer & cntnr )

protected

Replaces the current set of pharmacophore features and properties by a copy of the features and properties of the container cntnr.

Parameters

cntnr The container to copy.

Returns: A reference to itself.

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

FeatureContainer.hpp

Public Types

Public Member Functions

Protected Member Functions

Detailed Description

Member Typedef Documentation

◆ SharedPointer

◆ ConstFeatureIterator

◆ FeatureIterator

Constructor & Destructor Documentation

◆ ~FeatureContainer()

Member Function Documentation

◆ getNumFeatures()

◆ getFeature() [1/2]

◆ getFeature() [2/2]

◆ getFeatureIndex()

◆ containsFeature()

◆ getFeaturesBegin() [1/2]

◆ getFeaturesEnd() [1/2]

◆ getFeaturesBegin() [2/2]

◆ getFeaturesEnd() [2/2]

◆ begin() [1/2]

◆ end() [1/2]

◆ begin() [2/2]

◆ end() [2/2]

◆ getNumEntities()

◆ getEntity() [1/2]

◆ getEntity() [2/2]

◆ operator=()