Class AtomContainerComparator

  • All Implemented Interfaces:
    Comparator<IAtomContainer>

    public class AtomContainerComparator
    extends Object
    implements Comparator<IAtomContainer>

    Compares two IAtomContainers for order with the following criteria with decreasing priority:

    • Compare atom count
    • Compare molecular weight (heavy atoms only)
    • Compare bond count
    • Compare sum of bond orders (heavy atoms only)

    If no difference can be found with the above criteria, the IAtomContainers are considered equal.

    Author:
    Andreas Schueller
    Source code:
    main
    Belongs to CDK module:
    standard
    Created on:
    2007-09-05