net.sf.octet.model
Class BasicBondingSystem

java.lang.Object
  net.sf.octet.model.AtomGraphDecorator
      net.sf.octet.model.BasicBondingSystem

All Implemented Interfaces:

AtomCollection, AtomGraph, AtomPairCollection, BondingSystem

public class BasicBondingSystem

extends AtomGraphDecorator

implements BondingSystem

A default implementation of the BondingSystem interface. Use BasicBondingSystem in those situations calling for multi-atom bonding support.

Author:

Richard Apodaca

Constructor Summary

BasicBondingSystem(AtomGraph graph, int bondingElectronCount, int antibondingElectronCount)

BasicBondingSystem(AtomPair pair, int bondingElectronCount, int antibondingElectronCount)

Method Summary

int	countAntibondingElectrons() Returns the number of antibonding electrons in this BondingSystem.
int	countBondingElectrons() Returns the number of bonding electrons associated with this BondingSystem.

Methods inherited from class net.sf.octet.model.AtomGraphDecorator

containsAtom, containsAtomPair, containsAtomPair, countAtomPairs, countAtoms, countNeighbors, getAtom, getAtomIndex, getAtomPair, getAtomPair, getAtomPairIndex, iterateAtomPairs, iterateAtoms, iterateNeighbors, toAtomArray, toAtomPairArray

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from interface net.sf.octet.model.AtomGraph

countNeighbors, iterateNeighbors

Methods inherited from interface net.sf.octet.collection.AtomCollection

containsAtom, countAtoms, getAtom, getAtomIndex, iterateAtoms, toAtomArray

Methods inherited from interface net.sf.octet.collection.AtomPairCollection

containsAtomPair, containsAtomPair, countAtomPairs, getAtomPair, getAtomPair, getAtomPairIndex, iterateAtomPairs, toAtomPairArray

Constructor Detail

BasicBondingSystem

public BasicBondingSystem(AtomGraph graph,
                          int bondingElectronCount,
                          int antibondingElectronCount)

BasicBondingSystem

public BasicBondingSystem(AtomPair pair,
                          int bondingElectronCount,
                          int antibondingElectronCount)

Method Detail

countAntibondingElectrons

public int countAntibondingElectrons()

Description copied from interface: BondingSystem

Returns the number of antibonding electrons in this BondingSystem.

Specified by:

countAntibondingElectrons in interface BondingSystem

Returns:

the number of antibonding electrons in the specified BondingSystem

countBondingElectrons

public int countBondingElectrons()

Description copied from interface: BondingSystem

Returns the number of bonding electrons associated with this BondingSystem.

Specified by:

countBondingElectrons in interface BondingSystem

Returns:

the number of bonding electrons in the specified BondingSystem