Package org.openscience.cdk.signature

Class MoleculeFromSignatureBuilder

java.lang.Object

signature.AbstractGraphBuilder

org.openscience.cdk.signature.MoleculeFromSignatureBuilder

public class MoleculeFromSignatureBuilder
extends signature.AbstractGraphBuilder

Builds a molecule from a signature.

Author:

maclean

Source code:

main

Belongs to CDK module:

signature

Constructor Summary

Constructors

Constructor	Description
MoleculeFromSignatureBuilder(IChemObjectBuilder builder)	Uses the chem object builder for making molecules.

Method Summary

Modifier and Type	Method	Description
IAtomContainer	getAtomContainer()	Gets the atom container.
void	makeEdge(int vertexIndex1, int vertexIndex2, String vertexSymbol1, String vertexSymbol2, String edgeLabel)
void	makeGraph()
void	makeVertex(String label)

Methods inherited from class signature.AbstractGraphBuilder

makeFromColoredTree

Methods inherited from class java.lang.Object

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

Constructor Details

MoleculeFromSignatureBuilder

public MoleculeFromSignatureBuilder(IChemObjectBuilder builder)

Uses the chem object builder for making molecules.

Parameters:

builder - a builder for CDK molecules.

Method Details

makeEdge

public void makeEdge(int vertexIndex1,
 int vertexIndex2,
 String vertexSymbol1,
 String vertexSymbol2,
 String edgeLabel)

Specified by:

makeEdge in class signature.AbstractGraphBuilder

makeGraph

public void makeGraph()

Specified by:

makeGraph in class signature.AbstractGraphBuilder

makeVertex

public void makeVertex(String label)

Specified by:

makeVertex in class signature.AbstractGraphBuilder

getAtomContainer

public IAtomContainer getAtomContainer()

Gets the atom container.

Returns:

the constructed atom container