public class MCSPlus
extends java.lang.Object
Constructor and Description |
---|
MCSPlus(org.openscience.cdk.interfaces.IAtomContainer ac1,
org.openscience.cdk.interfaces.IAtomContainer ac2,
boolean shouldMatchBonds,
boolean shouldMatchRings,
boolean matchAtomType) |
MCSPlus(org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer ac1,
org.openscience.cdk.interfaces.IAtomContainer ac2) |
Modifier and Type | Method and Description |
---|---|
java.util.List<java.util.List<java.lang.Integer>> |
getOverlaps() |
boolean |
isMatchAtomType() |
boolean |
isMatchBonds() |
boolean |
isMatchRings() |
boolean |
isTimeout() |
public MCSPlus(org.openscience.cdk.interfaces.IAtomContainer ac1, org.openscience.cdk.interfaces.IAtomContainer ac2, boolean shouldMatchBonds, boolean shouldMatchRings, boolean matchAtomType)
shouldMatchRings
- shouldMatchBonds
- ac1
- ac2
- matchAtomType
- public MCSPlus(org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer ac1, org.openscience.cdk.interfaces.IAtomContainer ac2)
ac1
- ac2
- public boolean isTimeout()
public boolean isMatchRings()
public boolean isMatchBonds()
public java.util.List<java.util.List<java.lang.Integer>> getOverlaps()
public boolean isMatchAtomType()