org.openscience.cdk.hash.stereo

Class TetrahedralElementEncoderFactory

java.lang.Object

org.openscience.cdk.hash.stereo.TetrahedralElementEncoderFactory

All Implemented Interfaces:

StereoEncoderFactory

public final class TetrahedralElementEncoderFactory
extends Object
implements StereoEncoderFactory

Defines a stereo encoder factory for the hash code. The factory allows the generation of stereo hash codes for molecules with predefined ITetrahedralChirality stereo elements.

Author:

John May

Belongs to CDK module:

hash

Field Summary

Fields inherited from interface org.openscience.cdk.hash.stereo.StereoEncoderFactory

EMPTY

Constructor Summary

Constructors

Constructor and Description
TetrahedralElementEncoderFactory()

Method Summary

Modifier and Type	Method and Description
StereoEncoder	create(IAtomContainer container, int[][] graph) Create a stereo-encoder for possible stereo-chemical configurations.

Methods inherited from class java.lang.Object

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

Constructor Detail

TetrahedralElementEncoderFactory

public TetrahedralElementEncoderFactory()

Method Detail

create

public StereoEncoder create(IAtomContainer container,
                            int[][] graph)

Create a stereo-encoder for possible stereo-chemical configurations.

Specified by:

create in interface StereoEncoderFactory

Parameters:

container - the container

graph - adjacency list representation of the container

Returns:

a new stereo encoder