org.openscience.cdk.fingerprint

Class ShortestPathWalker

java.lang.Object

org.openscience.cdk.fingerprint.ShortestPathWalker

public final class ShortestPathWalker
extends Object

Author:

Syed Asad Rahman (2012), John May (2013)

Source code:

master

Belongs to CDK module:

fingerprint

Keywords:

fingerprint, similarity

Constructor Summary

Constructors

Constructor and Description
ShortestPathWalker(IAtomContainer container) Create a new shortest path walker for a given container.

Method Summary

Modifier and Type	Method and Description
Set<String>	paths() Access a set of all shortest paths.
String	toString()

Methods inherited from class java.lang.Object

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

Constructor Detail

ShortestPathWalker

public ShortestPathWalker(IAtomContainer container)

Create a new shortest path walker for a given container.

Parameters:

container - the molecule to encode the shortest paths

Method Detail

paths

public Set<String> paths()

Access a set of all shortest paths.

Returns:

the paths

toString

public String toString()

Overrides:

toString in class Object