org.openscience.cdk.structgen.stochastic.operator

Class ChemGraph

java.lang.Object

org.openscience.cdk.structgen.stochastic.operator.ChemGraph

public class ChemGraph
extends Object

Source code:

master

Belongs to CDK module:

structgen

Field Summary

Fields

Modifier and Type	Field and Description
protected double[][]	contab
protected int	dim
protected int	numAtoms
protected List<Integer>	subGraph
protected int	travIndex
protected boolean[]	visited

Constructor Summary

Constructors

Constructor and Description
ChemGraph(IAtomContainer chrom)

Method Summary

Modifier and Type	Method and Description
int	getNumAtoms()
List<Integer>	getSubgraph()
List<Integer>	pickBFgraph()
List<Integer>	pickDFgraph()
void	setNumAtoms(int numatoms)
void	setSubgraph(List<Integer> subgraph)

Methods inherited from class java.lang.Object

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

Field Detail

dim

protected int dim

numAtoms

protected int numAtoms

contab

protected double[][] contab

travIndex

protected int travIndex

visited

protected boolean[] visited

subGraph

protected List<Integer> subGraph

Constructor Detail

ChemGraph

public ChemGraph(IAtomContainer chrom)

Method Detail

pickDFgraph

public List<Integer> pickDFgraph()

pickBFgraph

public List<Integer> pickBFgraph()

getSubgraph

public List<Integer> getSubgraph()

setSubgraph

public void setSubgraph(List<Integer> subgraph)

getNumAtoms

public int getNumAtoms()

setNumAtoms

public void setNumAtoms(int numatoms)