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:

master

Belongs to CDK module:

standard

Created on:

2007-09-05

Constructor Summary

Constructors

Constructor and Description
AtomContainerComparator() Creates a new instance of AtomContainerComparator

Method Summary

Modifier and Type	Method and Description
int	compare(IAtomContainer o1, IAtomContainer o2)

Methods inherited from class java.lang.Object

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

Methods inherited from interface java.util.Comparator

comparing, comparing, comparingDouble, comparingInt, comparingLong, equals, naturalOrder, nullsFirst, nullsLast, reversed, reverseOrder, thenComparing, thenComparing, thenComparing, thenComparingDouble, thenComparingInt, thenComparingLong

Constructor Detail

AtomContainerComparator

public AtomContainerComparator()

Creates a new instance of AtomContainerComparator

Method Detail

compare

public int compare(IAtomContainer o1,
                   IAtomContainer o2)

Specified by:

compare in interface Comparator<IAtomContainer>