Package edu.duke.cs.osprey.lute

Class LUTEGMECFinder

java.lang.Object

edu.duke.cs.osprey.lute.LUTEGMECFinder

public class LUTEGMECFinder
extends Object

Just like SimpleGMECFinder, except it doesn't use lower bounds on conformation energies at all. Instead, this GMEC finder assumes LUTE energies are the minimized energies, and enumerates the confs in order of LUTE energies using A* search.

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	LUTEGMECFinder.Builder

Field Summary

Fields

Modifier and Type	Field	Description
final LUTEConfEnergyCalculator	confEcalc
final ConfPrinter	consolePrinter
final ConfPrinter	logPrinter
final PruningMatrix	pmat
final boolean	printIntermediateConfsToConsole

Method Summary

Modifier and Type	Method	Description
ConfSearch.ScoredConf	find()
Queue.FIFO<ConfSearch.ScoredConf>	find(double energyWindowSize)

Methods inherited from class java.lang.Object

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

Field Details

pmat

public final PruningMatrix pmat

confEcalc

public final LUTEConfEnergyCalculator confEcalc

logPrinter

public final ConfPrinter logPrinter

consolePrinter

public final ConfPrinter consolePrinter

printIntermediateConfsToConsole

public final boolean printIntermediateConfsToConsole

Method Details

find

public ConfSearch.ScoredConf find()

find

public Queue.FIFO<ConfSearch.ScoredConf> find(double energyWindowSize)