CDPL::Chem::Entity3DContainer Class Reference

A common interface for data-structures that support a random access to stored Chem::Entity3D instances. More...

#include <Entity3DContainer.hpp>

Inheritance diagram for CDPL::Chem::Entity3DContainer:

Public Types
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 Member Functions
virtual std::size_t	getNumEntities () const =0
	Returns the number of stored Chem::Entity3D objects. More...
virtual const Entity3D &	getEntity (std::size_t idx) const =0
	Returns a const reference to the Chem::Entity3D instance at index idx. More...
virtual Entity3D &	getEntity (std::size_t idx)=0
	Returns a non-const reference to the entity at index idx. More...
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...

Protected Member Functions
virtual	~Entity3DContainer ()
	Virtual destructor. More...
Entity3DContainer &	operator= (const Entity3DContainer &cntnr)
	Assignment operator. More...

Detailed Description

A common interface for data-structures that support a random access to stored Chem::Entity3D instances.

Implementations have to guarantee that a given Chem::Entity3D object is stored only once and its index is unique amongst all contained Chem::Entity3D instances. Otherwise algorithms that rely on this behaviour may not work correctly!

Member Typedef Documentation

ConstEntityIterator

typedef Util::IndexedElementIterator<const Entity3D, ConstEntityAccessor> CDPL::Chem::Entity3DContainer::ConstEntityIterator

A constant random access iterator used to iterate over the stored const Chem::Entity3D objects.

EntityIterator

typedef Util::IndexedElementIterator<Entity3D, EntityAccessor> CDPL::Chem::Entity3DContainer::EntityIterator

A mutable random access iterator used to iterate over the stored Chem::Entity3D objects.

Constructor & Destructor Documentation

~Entity3DContainer()

virtual CDPL::Chem::Entity3DContainer::~Entity3DContainer ( )

inlineprotectedvirtual

Virtual destructor.

Member Function Documentation

getNumEntities()

virtual std::size_t CDPL::Chem::Entity3DContainer::getNumEntities ( ) const

pure virtual

Returns the number of stored Chem::Entity3D objects.

Returns

The number of stored Chem::Entity3D objects.

Implemented in CDPL::Pharm::FeatureContainer, CDPL::ConfGen::CanonicalFragment, and CDPL::Chem::AtomContainer.

getEntity() [1/2]

virtual const Entity3D& CDPL::Chem::Entity3DContainer::getEntity ( std::size_t  idx ) const

pure 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].

Implemented in CDPL::Pharm::FeatureContainer, CDPL::ConfGen::CanonicalFragment, and CDPL::Chem::AtomContainer.

getEntity() [2/2]

virtual Entity3D& CDPL::Chem::Entity3DContainer::getEntity ( std::size_t  idx )

pure 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].

Implemented in CDPL::Pharm::FeatureContainer, CDPL::ConfGen::CanonicalFragment, and CDPL::Chem::AtomContainer.

getEntitiesBegin() [1/2]

ConstEntityIterator CDPL::Chem::Entity3DContainer::getEntitiesBegin

(

)

const

Returns a constant iterator pointing to the beginning of the stored const Chem::Entity3D objects.

Returns

A constant iterator pointing to the beginning of the stored const Chem::Entity3D objects.

getEntitiesEnd() [1/2]

ConstEntityIterator CDPL::Chem::Entity3DContainer::getEntitiesEnd

(

)

const

Returns a constant iterator pointing to the end of the stored const Chem::Entity3D objects.

Returns

A constant iterator pointing to the end of the stored const Chem::Entity3D objects.

getEntitiesBegin() [2/2]

EntityIterator CDPL::Chem::Entity3DContainer::getEntitiesBegin

(

)

Returns a mutable iterator pointing to the beginning of the stored Chem::Entity3D objects.

Returns

A mutable iterator pointing to the beginning of the stored Chem::Entity3D objects.

getEntitiesEnd() [2/2]

EntityIterator CDPL::Chem::Entity3DContainer::getEntitiesEnd

(

)

Returns a mutable iterator pointing to the end of the stored Chem::Entity3D objects.

Returns

A mutable iterator pointing to the end of the stored Chem::Entity3D objects.

begin() [1/2]

ConstEntityIterator CDPL::Chem::Entity3DContainer::begin

(

)

const

Returns a constant iterator pointing to the beginning of the stored const Chem::Entity3D objects.

Returns

A constant iterator pointing to the beginning of the stored const Chem::Entity3D objects.

end() [1/2]

ConstEntityIterator CDPL::Chem::Entity3DContainer::end

(

)

const

Returns a constant iterator pointing to the end of the stored const Chem::Entity3D objects.

Returns

A constant iterator pointing to the end of the stored const Chem::Entity3D objects.

begin() [2/2]

EntityIterator CDPL::Chem::Entity3DContainer::begin

(

)

Returns a mutable iterator pointing to the beginning of the stored Chem::Entity3D objects.

Returns

A mutable iterator pointing to the beginning of the stored Chem::Entity3D objects.

end() [2/2]

EntityIterator CDPL::Chem::Entity3DContainer::end

(

)

Returns a mutable iterator pointing to the end of the stored Chem::Entity3D objects.

Returns

A mutable iterator pointing to the end of the stored Chem::Entity3D objects.

getEntities() [1/2]

const Entity3DContainer& CDPL::Chem::Entity3DContainer::getEntities ( ) const

inline

Returns a const reference to itself.

Returns

A const reference to itself.

getEntities() [2/2]

Entity3DContainer& CDPL::Chem::Entity3DContainer::getEntities ( )

inline

Returns a reference to itself.

Returns

A reference to itself.

operator=()

Entity3DContainer& CDPL::Chem::Entity3DContainer::operator= ( const Entity3DContainer &  cntnr )

protected

Assignment operator.

Parameters

cntnr

The other container to copy.

Returns

A reference to itself.

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

• Entity3DContainer.hpp