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 Details

    • 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 Details

    • 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: