org.openscience.cdk.isomorphism

Class SmartsStereoMatch

java.lang.Object

org.openscience.cdk.isomorphism.SmartsStereoMatch

All Implemented Interfaces:

com.google.common.base.Predicate<int[]>

public final class SmartsStereoMatch
extends Object
implements com.google.common.base.Predicate<int[]>

Filters SMARTS matches for those that have valid stereochemistry configuration. Note: This class is internal and will be private in future.

Author:

John May

Source code:

master

Belongs to CDK module:

smarts

Constructor Summary

Constructors

Constructor and Description
SmartsStereoMatch(IAtomContainer query, IAtomContainer target) Create a predicate for checking mappings between a provided query and target.

Method Summary

Methods

Modifier and Type	Method and Description
boolean	apply(int[] mapping) Is the mapping of the stereochemistry in the query preserved in the target.

Methods inherited from class java.lang.Object

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

Methods inherited from interface com.google.common.base.Predicate

equals

Constructor Detail

SmartsStereoMatch

public SmartsStereoMatch(IAtomContainer query,
                 IAtomContainer target)

Create a predicate for checking mappings between a provided query and target.

Parameters:

query - query container

target - target container

Method Detail

apply

public boolean apply(int[] mapping)

Is the mapping of the stereochemistry in the query preserved in the target.

Specified by:

apply in interface com.google.common.base.Predicate<int[]>

Parameters:

mapping - permutation of the query vertices

Returns:

the stereo chemistry is value