Package edu.duke.cs.osprey.kstar

Class KStar.ConfSpaceInfo

java.lang.Object

edu.duke.cs.osprey.kstar.KStar.ConfSpaceInfo

Enclosing class:

KStar

public class KStar.ConfSpaceInfo
extends Object

Field Summary

Fields

Modifier and Type	Field	Description
File	confDBFile
ConfEnergyCalculator	confEcalc
final ConfSpaceIteration	confSpace
final String	id
KStar.PfuncFactory	pfuncFactory
final Map<Sequence,PartitionFunction.Result>	pfuncResults
final KStar.ConfSpaceType	type

Constructor Summary

Constructors

Constructor	Description
ConfSpaceInfo(ConfSpaceIteration confSpace, KStar.ConfSpaceType type)

Method Summary

Modifier and Type	Method	Description
PartitionFunction.Result	calcPfunc(TaskExecutor.ContextGroup ctxGroup, Sequence globalSequence, BigDecimal stabilityThreshold)
void	clear()

Methods inherited from class java.lang.Object

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

Field Details

confSpace

public final ConfSpaceIteration confSpace

type

public final KStar.ConfSpaceType type

id

public final String id

pfuncResults

public final Map<Sequence,PartitionFunction.Result> pfuncResults

confDBFile

public File confDBFile

confEcalc

public ConfEnergyCalculator confEcalc

pfuncFactory

public KStar.PfuncFactory pfuncFactory

Constructor Details

ConfSpaceInfo

public ConfSpaceInfo(ConfSpaceIteration confSpace,
 KStar.ConfSpaceType type)

Method Details

clear

public void clear()

calcPfunc

public PartitionFunction.Result calcPfunc(TaskExecutor.ContextGroup ctxGroup,
 Sequence globalSequence,
 BigDecimal stabilityThreshold)