Package org.openscience.cdk.tools.manipulator

Class AtomContainerComparator

java.lang.Object
org.openscience.cdk.tools.manipulator.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