BALL::TMolecularGraph< Node, Edge > Class Template Reference

#include <BALL/STRUCTURE/molecularGraph.h>

List of all members.

Public Types
typedef NodeItem< Node, Edge >	NodeItemType
typedef EdgeItem< Node, Edge >	EdgeItemType
typedef std::list < NodeItemType >::iterator	NodeIterator
typedef std::list < NodeItemType > ::const_iterator	NodeConstIterator
typedef std::list < EdgeItemType >::iterator	EdgeIterator
typedef std::list < EdgeItemType > ::const_iterator	EdgeConstIterator
Public Member Functions
	TMolecularGraph ()
	TMolecularGraph (const Molecule &molecule)
bool	newNode (const Atom &atom)
bool	newEdge (const Bond &bond)
bool	deleteNode (NodeItemType &node)
bool	deleteEdge (EdgeItemType &edge)
bool	deleteNode (const Atom &atom)
bool	deleteEdge (const Bond &bond)
NodeIterator	beginNode ()
NodeConstIterator	beginNode () const
EdgeIterator	beginEdge ()
EdgeConstIterator	beginEdge () const
NodeIterator	endNode ()
NodeConstIterator	endNode () const
EdgeIterator	endEdge ()
EdgeConstIterator	endEdge () const
bool	has (const Atom &atom) const
bool	has (const Bond &bond) const
NodeItemType &	getNode (Position index)
const NodeItemType &	getNode (Position index) const
EdgeItemType &	getEdge (Position index)
const EdgeItemType &	getEdge (Position index) const
Size	getNumberOfNodes () const
Size	getNumberOfEdges () const
Protected Attributes
std::list< NodeItemType >	nodes_
std::list< EdgeItemType >	edges_
HashMap< Atom *, NodeItemType * >	atom_to_node_
HashMap< Bond *, EdgeItemType * >	bond_to_edge_

template<typename Node, typename Edge>
class BALL::TMolecularGraph< Node, Edge >

---

Member Typedef Documentation

template<typename Node, typename Edge>

typedef std::list<EdgeItemType>::const_iterator BALL::TMolecularGraph< Node, Edge >::EdgeConstIterator

template<typename Node, typename Edge>

typedef EdgeItem<Node, Edge> BALL::TMolecularGraph< Node, Edge >::EdgeItemType

template<typename Node, typename Edge>

typedef std::list<EdgeItemType>::iterator BALL::TMolecularGraph< Node, Edge >::EdgeIterator

template<typename Node, typename Edge>

typedef std::list<NodeItemType>::const_iterator BALL::TMolecularGraph< Node, Edge >::NodeConstIterator

template<typename Node, typename Edge>

typedef NodeItem<Node, Edge> BALL::TMolecularGraph< Node, Edge >::NodeItemType

template<typename Node, typename Edge>

typedef std::list<NodeItemType>::iterator BALL::TMolecularGraph< Node, Edge >::NodeIterator

---

Constructor & Destructor Documentation

template<typename Node , typename Edge >

BALL::TMolecularGraph< Node, Edge >::TMolecularGraph

(

)

[inline]

template<typename Node , typename Edge >

BALL::TMolecularGraph< Node, Edge >::TMolecularGraph

(

const Molecule &

molecule

)

[inline]

References BALL::TMolecularGraph< Node, Edge >::newEdge(), and BALL::TMolecularGraph< Node, Edge >::newNode().

---

Member Function Documentation

template<typename Node, typename Edge>

EdgeConstIterator BALL::TMolecularGraph< Node, Edge >::beginEdge

(

)

const [inline]

References BALL::TMolecularGraph< Node, Edge >::edges_.

template<typename Node, typename Edge>

EdgeIterator BALL::TMolecularGraph< Node, Edge >::beginEdge

(

)

[inline]

References BALL::TMolecularGraph< Node, Edge >::edges_.

Referenced by BALL::operator<<().

template<typename Node, typename Edge>

NodeConstIterator BALL::TMolecularGraph< Node, Edge >::beginNode

(

)

const [inline]

References BALL::TMolecularGraph< Node, Edge >::nodes_.

template<typename Node, typename Edge>

NodeIterator BALL::TMolecularGraph< Node, Edge >::beginNode

(

)

[inline]

References BALL::TMolecularGraph< Node, Edge >::nodes_.

template<typename Node , typename Edge >

bool BALL::TMolecularGraph< Node, Edge >::deleteEdge

(

const Bond &

bond

)

[inline]

References BALL::TMolecularGraph< Node, Edge >::bond_to_edge_, BALL::TMolecularGraph< Node, Edge >::deleteEdge(), and BALL::HashMap< Key, T >::has().

template<typename Node, typename Edge>

bool BALL::TMolecularGraph< Node, Edge >::deleteEdge

(

EdgeItemType &

edge

)

Referenced by BALL::TMolecularGraph< Node, Edge >::deleteEdge().

template<typename Node , typename Edge >

bool BALL::TMolecularGraph< Node, Edge >::deleteNode

(

const Atom &

atom

)

[inline]

References BALL::TMolecularGraph< Node, Edge >::atom_to_node_, BALL::TMolecularGraph< Node, Edge >::deleteNode(), and BALL::HashMap< Key, T >::has().

template<typename Node, typename Edge>

bool BALL::TMolecularGraph< Node, Edge >::deleteNode

(

NodeItemType &

node

)

Referenced by BALL::TMolecularGraph< Node, Edge >::deleteNode().

template<typename Node, typename Edge>

EdgeConstIterator BALL::TMolecularGraph< Node, Edge >::endEdge

(

)

const [inline]

References BALL::TMolecularGraph< Node, Edge >::edges_.

template<typename Node, typename Edge>

EdgeIterator BALL::TMolecularGraph< Node, Edge >::endEdge

(

)

[inline]

References BALL::TMolecularGraph< Node, Edge >::edges_.

Referenced by BALL::operator<<().

template<typename Node, typename Edge>

NodeConstIterator BALL::TMolecularGraph< Node, Edge >::endNode

(

)

const [inline]

References BALL::TMolecularGraph< Node, Edge >::nodes_.

template<typename Node, typename Edge>

NodeIterator BALL::TMolecularGraph< Node, Edge >::endNode

(

)

[inline]

References BALL::TMolecularGraph< Node, Edge >::nodes_.

Referenced by BALL::operator<<().

template<typename Node, typename Edge>

const EdgeItemType& BALL::TMolecularGraph< Node, Edge >::getEdge

(

Position

index

)

const [inline]

References BALL::TMolecularGraph< Node, Edge >::edges_.

template<typename Node, typename Edge>

EdgeItemType& BALL::TMolecularGraph< Node, Edge >::getEdge

(

Position

index

)

[inline]

References BALL::TMolecularGraph< Node, Edge >::edges_.

template<typename Node, typename Edge>

const NodeItemType& BALL::TMolecularGraph< Node, Edge >::getNode

(

Position

index

)

const [inline]

References BALL::TMolecularGraph< Node, Edge >::nodes_.

template<typename Node, typename Edge>

NodeItemType& BALL::TMolecularGraph< Node, Edge >::getNode

(

Position

index

)

[inline]

References BALL::TMolecularGraph< Node, Edge >::nodes_.

template<typename Node , typename Edge >

BALL_INLINE Size BALL::TMolecularGraph< Node, Edge >::getNumberOfEdges

(

)

const [inline]

Return the number of nodes in the graph

References BALL::TMolecularGraph< Node, Edge >::edges_.

template<typename Node , typename Edge >

BALL_INLINE Size BALL::TMolecularGraph< Node, Edge >::getNumberOfNodes

(

)

const [inline]

Return the number of nodes in the graph

References BALL::TMolecularGraph< Node, Edge >::nodes_.

template<typename Node, typename Edge>

bool BALL::TMolecularGraph< Node, Edge >::has

(

const Bond &

bond

)

const [inline]

References BALL::TMolecularGraph< Node, Edge >::bond_to_edge_, and BALL::HashMap< Key, T >::has().

template<typename Node, typename Edge>

bool BALL::TMolecularGraph< Node, Edge >::has

(

const Atom &

atom

)

const [inline]

References BALL::TMolecularGraph< Node, Edge >::atom_to_node_, and BALL::HashMap< Key, T >::has().

template<typename Node , typename Edge >

bool BALL::TMolecularGraph< Node, Edge >::newEdge

(

const Bond &

bond

)

[inline]

References BALL::NodeItem< Node, Edge >::adjacent_edges_, BALL::TMolecularGraph< Node, Edge >::atom_to_node_, BALL::TMolecularGraph< Node, Edge >::bond_to_edge_, BALL::TMolecularGraph< Node, Edge >::edges_, BALL::Bond::getFirstAtom(), BALL::Bond::getSecondAtom(), and BALL::HashMap< Key, T >::has().

Referenced by BALL::TMolecularGraph< Node, Edge >::TMolecularGraph().

template<typename Node , typename Edge >

bool BALL::TMolecularGraph< Node, Edge >::newNode

(

const Atom &

atom

)

[inline]

References BALL::TMolecularGraph< Node, Edge >::atom_to_node_, BALL::HashMap< Key, T >::has(), and BALL::TMolecularGraph< Node, Edge >::nodes_.

Referenced by BALL::TMolecularGraph< Node, Edge >::TMolecularGraph().

---

Member Data Documentation

template<typename Node, typename Edge>

HashMap<Atom*, NodeItemType*> BALL::TMolecularGraph< Node, Edge >::atom_to_node_ [protected]

Referenced by BALL::TMolecularGraph< Node, Edge >::deleteNode(), BALL::TMolecularGraph< Node, Edge >::has(), BALL::TMolecularGraph< Node, Edge >::newEdge(), and BALL::TMolecularGraph< Node, Edge >::newNode().

template<typename Node, typename Edge>

HashMap<Bond*, EdgeItemType*> BALL::TMolecularGraph< Node, Edge >::bond_to_edge_ [protected]

Referenced by BALL::TMolecularGraph< Node, Edge >::deleteEdge(), BALL::TMolecularGraph< Node, Edge >::has(), and BALL::TMolecularGraph< Node, Edge >::newEdge().

template<typename Node, typename Edge>

std::list<EdgeItemType> BALL::TMolecularGraph< Node, Edge >::edges_ [protected]

Referenced by BALL::TMolecularGraph< Node, Edge >::beginEdge(), BALL::TMolecularGraph< Node, Edge >::endEdge(), BALL::TMolecularGraph< Node, Edge >::getEdge(), BALL::TMolecularGraph< Node, Edge >::getNumberOfEdges(), and BALL::TMolecularGraph< Node, Edge >::newEdge().

template<typename Node, typename Edge>

std::list<NodeItemType> BALL::TMolecularGraph< Node, Edge >::nodes_ [protected]

Referenced by BALL::TMolecularGraph< Node, Edge >::beginNode(), BALL::TMolecularGraph< Node, Edge >::endNode(), BALL::TMolecularGraph< Node, Edge >::getNode(), BALL::TMolecularGraph< Node, Edge >::getNumberOfNodes(), and BALL::TMolecularGraph< Node, Edge >::newNode().