public class MCSS
extends java.lang.Object
Constructor and Description |
---|
MCSS(java.util.List<org.openscience.cdk.interfaces.IAtomContainer> jobList,
JobType jobType,
int numberOfThreads) |
MCSS(java.util.List<org.openscience.cdk.interfaces.IAtomContainer> jobList,
JobType jobType,
int numberOfThreads,
boolean matchBonds,
boolean matchRings,
boolean matchAtomType) |
Modifier and Type | Method and Description |
---|---|
java.util.Collection<org.openscience.cdk.interfaces.IAtomContainer> |
getCalculateMCSS() |
java.lang.String |
getTitle() |
public MCSS(java.util.List<org.openscience.cdk.interfaces.IAtomContainer> jobList, JobType jobType, int numberOfThreads)
jobList
- jobType
- numberOfThreads
- public MCSS(java.util.List<org.openscience.cdk.interfaces.IAtomContainer> jobList, JobType jobType, int numberOfThreads, boolean matchBonds, boolean matchRings, boolean matchAtomType)
jobList
- jobType
- numberOfThreads
- matchBonds
- matchRings
- matchAtomType
-