org.openscience.cdk.geometry.cip.rules

Class CIPLigandRule

java.lang.Object

org.openscience.cdk.geometry.cip.rules.CIPLigandRule

All Implemented Interfaces:

Comparator<ILigand>, ISequenceSubRule<ILigand>

@TestClass(value="org.openscience.cdk.geometry.cip.rules.CIPLigandRuleTest")
public class CIPLigandRule
extends Object
implements ISequenceSubRule<ILigand>

Compares to ILigands based on CIP sequences sub rules. The used CIP sub rules are:

1. MassNumberRule
2. AtomicNumberRule

Constructor Summary

Constructors

Constructor and Description
CIPLigandRule()

Method Summary

Methods

Modifier and Type	Method and Description
int	compare(ILigand ligand1, ILigand ligand2) Compares two ligands according to the particular sequence sub rule.

Methods inherited from class java.lang.Object

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

Methods inherited from interface java.util.Comparator

equals

Constructor Detail

CIPLigandRule

public CIPLigandRule()

Method Detail

compare

@TestMethod(value="testCompare,testCompare_Identity,testOrder")
public int compare(ILigand ligand1,
                          ILigand ligand2)

Compares two ligands according to the particular sequence sub rule. It returns 1 if ligand1 takes precedence over ligand2, -1 if ligand2 takes precedence over ligand1, and 0 if they are equal.

Specified by:

compare in interface Comparator<ILigand>

Specified by:

compare in interface ISequenceSubRule<ILigand>

Parameters:

ligand1 - the first of the two ligands to compare

ligand2 - the second of the two ligands to compare

Returns:

1 if ligand1 is of higher precedence than ligand2, -1 if ligand2 is of higher precedence than ligan1, and 0 if they have equal precedence