Package org.openscience.cdk.isomorphism

Class SmartsStereoMatch

java.lang.Object

org.openscience.cdk.isomorphism.SmartsStereoMatch

All Implemented Interfaces:

Predicate<int[]>

@Deprecated
public final class SmartsStereoMatch
extends Object
implements Predicate<int[]>

Deprecated.

use QueryStereoFilter

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:

main

Belongs to CDK module:

smarts

Constructor Summary

Constructors

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

Method Summary

Modifier and Type	Method	Description
boolean	apply(int[] ints)	Deprecated. Backwards compatible method from when we used GUAVA predicates.
boolean	test(int[] mapping)	Deprecated. 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 java.util.function.Predicate

and, negate, or

Constructor Detail

SmartsStereoMatch

public SmartsStereoMatch(IAtomContainer query,
                         IAtomContainer target)

Deprecated.

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

Parameters:

query - query container

target - target container

Method Detail

test

public boolean test(int[] mapping)

Deprecated.

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

Specified by:

test in interface Predicate<int[]>

Parameters:

mapping - permutation of the query vertices

Returns:

the stereo chemistry is value

apply

public boolean apply(int[] ints)

Deprecated.

Backwards compatible method from when we used GUAVA predicates.

Parameters:

ints - atom index bijection

Returns:

true/false

See Also:

test(int[])