public class MCSSeedGenerator extends java.lang.Object implements java.util.concurrent.Callable<java.util.List<AtomAtomMapping>>
org.openscience.cdk.smsd.algorithm.vflib.map.VFMCSMapper
and reports
MCS between run source and target graphs. Then these solutions are extended
using McGregor org.openscience.cdk.smsd.algorithm.mcgregor.McGregor
algorithm where ever required.Constructor and Description |
---|
MCSSeedGenerator(org.openscience.cdk.interfaces.IAtomContainer source,
org.openscience.cdk.interfaces.IAtomContainer target,
boolean bondMatch,
boolean ringMatch,
boolean matchAtomType,
Algorithm algorithm) |
MCSSeedGenerator(org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer source,
org.openscience.cdk.interfaces.IAtomContainer target,
Algorithm algorithm) |
Modifier and Type | Method and Description |
---|---|
protected java.util.List<AtomAtomMapping> |
addKochCliques() |
java.util.List<AtomAtomMapping> |
call() |
public MCSSeedGenerator(org.openscience.cdk.interfaces.IAtomContainer source, org.openscience.cdk.interfaces.IAtomContainer target, boolean bondMatch, boolean ringMatch, boolean matchAtomType, Algorithm algorithm)
source
- target
- bondMatch
- ringMatch
- matchAtomType
- algorithm
- public MCSSeedGenerator(org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer source, org.openscience.cdk.interfaces.IAtomContainer target, Algorithm algorithm)
source
- target
- algorithm
- public java.util.List<AtomAtomMapping> call() throws java.lang.Exception
call
in interface java.util.concurrent.Callable<java.util.List<AtomAtomMapping>>
java.lang.Exception
protected java.util.List<AtomAtomMapping> addKochCliques() throws java.io.IOException
java.io.IOException