de.bioforscher.singa.structure.model.molecules

Class MoleculeGraph

java.lang.Object

de.bioforscher.singa.mathematics.graphs.model.AbstractMapGraph<MoleculeAtom,MoleculeBond,Vector2D,Integer>

de.bioforscher.singa.structure.model.molecules.MoleculeGraph

All Implemented Interfaces:

Graph<MoleculeAtom,MoleculeBond,Integer>

public class MoleculeGraph
extends AbstractMapGraph<MoleculeAtom,MoleculeBond,Vector2D,Integer>

Author:

cl

Field Summary

Fields inherited from class de.bioforscher.singa.mathematics.graphs.model.AbstractMapGraph

edges

Constructor Summary

Constructors

Constructor and Description
MoleculeGraph()

Method Summary

Modifier and Type	Method and Description
int	addEdgeBetween(int identifier, MoleculeAtom source, MoleculeAtom target)
int	addEdgeBetween(MoleculeAtom source, MoleculeAtom target)
int	addEdgeBetween(MoleculeAtom source, MoleculeAtom target, MoleculeBondType bondType)
int	addNextAtom(char elementSymbol)
int	addNextAtom(Element element)
int	addNextAtom(Element element, int charge)
int	addNextAtom(Element element, int charge, int massNumber)
int	addNextAtom(String elementSymbol)
Integer	nextNodeIdentifier()

Methods inherited from class de.bioforscher.singa.mathematics.graphs.model.AbstractMapGraph

addEdgeBetween, addNode, containsEdge, containsNode, getEdge, getEdges, getMaximumDegree, getNode, getNodes, nextEdgeIdentifier, removeNode, removeNode, toString

Methods inherited from class java.lang.Object

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

Methods inherited from interface de.bioforscher.singa.mathematics.graphs.model.Graph

getCopy, getEdgeBetween

Constructor Detail

MoleculeGraph

public MoleculeGraph()

Method Detail

addNextAtom

public int addNextAtom(char elementSymbol)

addNextAtom

public int addNextAtom(String elementSymbol)

addNextAtom

public int addNextAtom(Element element)

addNextAtom

public int addNextAtom(Element element,
                       int charge)

addNextAtom

public int addNextAtom(Element element,
                       int charge,
                       int massNumber)

addEdgeBetween

public int addEdgeBetween(int identifier,
                          MoleculeAtom source,
                          MoleculeAtom target)

Specified by:

addEdgeBetween in interface Graph<MoleculeAtom,MoleculeBond,Integer>

Specified by:

addEdgeBetween in class AbstractMapGraph<MoleculeAtom,MoleculeBond,Vector2D,Integer>

addEdgeBetween

public int addEdgeBetween(MoleculeAtom source,
                          MoleculeAtom target)

Specified by:

addEdgeBetween in interface Graph<MoleculeAtom,MoleculeBond,Integer>

Specified by:

addEdgeBetween in class AbstractMapGraph<MoleculeAtom,MoleculeBond,Vector2D,Integer>

addEdgeBetween

public int addEdgeBetween(MoleculeAtom source,
                          MoleculeAtom target,
                          MoleculeBondType bondType)

nextNodeIdentifier

public Integer nextNodeIdentifier()