public class MCSSThread
extends java.lang.Object
implements java.util.concurrent.Callable<java.util.concurrent.LinkedBlockingQueue<org.openscience.cdk.interfaces.IAtomContainer>>
Constructor and Description |
---|
MCSSThread(java.util.List<org.openscience.cdk.interfaces.IAtomContainer> mcssList,
JobType jobType,
int taskNumber) |
MCSSThread(java.util.List<org.openscience.cdk.interfaces.IAtomContainer> mcssList,
JobType jobType,
int taskNumber,
boolean matchBonds,
boolean matchRings,
boolean matchAtomType) |
Modifier and Type | Method and Description |
---|---|
java.util.concurrent.LinkedBlockingQueue<org.openscience.cdk.interfaces.IAtomContainer> |
call() |
java.lang.String |
getMCSSSmiles(org.openscience.cdk.interfaces.IAtomContainer ac)
Return SMILES
|
int |
getTaskNumber() |
public MCSSThread(java.util.List<org.openscience.cdk.interfaces.IAtomContainer> mcssList, JobType jobType, int taskNumber)
mcssList
- jobType
- MULTIPLE/SINGLEtaskNumber
- public MCSSThread(java.util.List<org.openscience.cdk.interfaces.IAtomContainer> mcssList, JobType jobType, int taskNumber, boolean matchBonds, boolean matchRings, boolean matchAtomType)
mcssList
- jobType
- taskNumber
- matchBonds
- matchRings
- matchAtomType
- public java.util.concurrent.LinkedBlockingQueue<org.openscience.cdk.interfaces.IAtomContainer> call()
call
in interface java.util.concurrent.Callable<java.util.concurrent.LinkedBlockingQueue<org.openscience.cdk.interfaces.IAtomContainer>>
public java.lang.String getMCSSSmiles(org.openscience.cdk.interfaces.IAtomContainer ac) throws org.openscience.cdk.exception.CDKException
ac
- org.openscience.cdk.exception.CDKException
public int getTaskNumber()