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

#include <BALL/STRUCTURE/simpleMolecularGraph.h>

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
	TSimpleMolecularGraph ()
	TSimpleMolecularGraph (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_

Detailed Description

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

Definition at line 35 of file simpleMolecularGraph.h.

Member Typedef Documentation

template<typename Node, typename Edge>

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

Definition at line 153 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

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

Definition at line 149 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

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

Definition at line 152 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

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

Definition at line 151 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

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

Definition at line 148 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

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

Definition at line 150 of file simpleMolecularGraph.h.

Constructor & Destructor Documentation

template<typename Node , typename Edge >

BALL::TSimpleMolecularGraph< Node, Edge >::TSimpleMolecularGraph

(

)

Definition at line 205 of file simpleMolecularGraph.h.

template<typename Node , typename Edge >

BALL::TSimpleMolecularGraph< Node, Edge >::TSimpleMolecularGraph

(

const Molecule &

molecule

)

Definition at line 215 of file simpleMolecularGraph.h.

Member Function Documentation

template<typename Node, typename Edge>

EdgeIterator BALL::TSimpleMolecularGraph< Node, Edge >::beginEdge ( )

inline

Definition at line 169 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

EdgeConstIterator BALL::TSimpleMolecularGraph< Node, Edge >::beginEdge ( ) const

inline

Definition at line 170 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

NodeIterator BALL::TSimpleMolecularGraph< Node, Edge >::beginNode ( )

inline

Definition at line 167 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

NodeConstIterator BALL::TSimpleMolecularGraph< Node, Edge >::beginNode ( ) const

inline

Definition at line 168 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

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

(

EdgeItemType &

edge

)

template<typename Node , typename Edge >

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

(

const Bond &

bond

)

Definition at line 325 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

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

(

NodeItemType &

node

)

template<typename Node , typename Edge >

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

(

const Atom &

atom

)

Definition at line 314 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

EdgeIterator BALL::TSimpleMolecularGraph< Node, Edge >::endEdge ( )

inline

Definition at line 173 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

EdgeConstIterator BALL::TSimpleMolecularGraph< Node, Edge >::endEdge ( ) const

inline

Definition at line 174 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

NodeIterator BALL::TSimpleMolecularGraph< Node, Edge >::endNode ( )

inline

Definition at line 171 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

NodeConstIterator BALL::TSimpleMolecularGraph< Node, Edge >::endNode ( ) const

inline

Definition at line 172 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

EdgeItemType& BALL::TSimpleMolecularGraph< Node, Edge >::getEdge ( Position  index )

inline

Definition at line 181 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

const EdgeItemType& BALL::TSimpleMolecularGraph< Node, Edge >::getEdge ( Position  index ) const

inline

Definition at line 182 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

NodeItemType& BALL::TSimpleMolecularGraph< Node, Edge >::getNode ( Position  index )

inline

Definition at line 179 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

const NodeItemType& BALL::TSimpleMolecularGraph< Node, Edge >::getNode ( Position  index ) const

inline

Definition at line 180 of file simpleMolecularGraph.h.

template<typename Node , typename Edge >

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

(

)

const

Return the number of nodes in the graph

Definition at line 500 of file simpleMolecularGraph.h.

template<typename Node , typename Edge >

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

(

)

const

Return the number of nodes in the graph

Definition at line 492 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

bool BALL::TSimpleMolecularGraph< Node, Edge >::has ( const Atom &  atom ) const

inline

Definition at line 176 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

bool BALL::TSimpleMolecularGraph< Node, Edge >::has ( const Bond &  bond ) const

inline

Definition at line 177 of file simpleMolecularGraph.h.

template<typename Node , typename Edge >

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

(

const Bond &

bond

)

Definition at line 258 of file simpleMolecularGraph.h.

template<typename Node , typename Edge >

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

(

const Atom &

atom

)

Definition at line 241 of file simpleMolecularGraph.h.

Member Data Documentation

template<typename Node, typename Edge>

HashMap<Atom*, NodeItemType*> BALL::TSimpleMolecularGraph< Node, Edge >::atom_to_node_

protected

Definition at line 195 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

HashMap<Bond*, EdgeItemType*> BALL::TSimpleMolecularGraph< Node, Edge >::bond_to_edge_

protected

Definition at line 196 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

std::list<EdgeItemType> BALL::TSimpleMolecularGraph< Node, Edge >::edges_

protected

Definition at line 194 of file simpleMolecularGraph.h.

template<typename Node, typename Edge>

std::list<NodeItemType> BALL::TSimpleMolecularGraph< Node, Edge >::nodes_

protected

Definition at line 193 of file simpleMolecularGraph.h.