org.openscience.cdk.isomorphism

Class BondMatcher

java.lang.Object

org.openscience.cdk.isomorphism.BondMatcher

public abstract class BondMatcher
extends Object

Defines compatibility checking of bonds for (subgraph)-isomorphism mapping.

Author:

John May

Belongs to CDK module:

isomorphism

Constructor Summary

Constructors

Constructor and Description
BondMatcher()

Method Summary

Methods

Modifier and Type	Method and Description
static BondMatcher	forAny() All bonds are compatible.
static BondMatcher	forOrder() Bonds are compatible if they are both aromatic or their orders are equal.
static BondMatcher	forQuery() Bonds are compatible if the first bond1 (an IQueryBond) matches the second, bond2.
static BondMatcher	forStrictOrder() Bonds are compatible if they are both aromatic or their orders are equal and they are non-aromatic.
abstract boolean	matches(IBond bond1, IBond bond2) Determines if bond1 is compatible with bond2.

Methods inherited from class java.lang.Object

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

Constructor Detail

BondMatcher

public BondMatcher()

Method Detail

matches

public abstract boolean matches(IBond bond1,
              IBond bond2)

Determines if bond1 is compatible with bond2.

Parameters:

bond1 - a bond from the query structure

bond2 - a bond from the target structure

Returns:

the bonds are compatible

forAny

public static BondMatcher forAny()

All bonds are compatible.

Returns:

a bond matcher

forStrictOrder

public static BondMatcher forStrictOrder()

Bonds are compatible if they are both aromatic or their orders are equal and they are non-aromatic. Under this matcher a single/double bond will not match a single/double bond which is aromatic.

Returns:

a bond matcher

forOrder

public static BondMatcher forOrder()

Bonds are compatible if they are both aromatic or their orders are equal. This matcher allows a single/double bond to match a single/double aromatic bond.

Returns:

a bond matcher

forQuery

public static BondMatcher forQuery()

Bonds are compatible if the first bond1 (an IQueryBond) matches the second, bond2.

Returns:

a bond matcher