Package edu.duke.cs.osprey.minimization

Class ConfMinimizer

java.lang.Object

edu.duke.cs.osprey.minimization.ConfMinimizer

Direct Known Subclasses:

CpuConfMinimizer, GpuConfMinimizer

public abstract class ConfMinimizer
extends Object

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	ConfMinimizer.Async

Constructor Summary

Constructors

Modifier	Constructor	Description
protected	ConfMinimizer()

Method Summary

Modifier and Type	Method	Description
void	cleanup()
ConfMinimizer.Async	getAsync()
protected void	init(int numThreads, Factory<? extends EnergyFunction,Molecule> efuncs, Factory<? extends Minimizer,MoleculeModifierAndScorer> minimizers, ConfSpace confSpace)
ConfSearch.EnergiedConf	minimize(ConfSearch.ScoredConf conf)	NOTE: don't call this in a loop, you'll loose all the parallelism but it's here if you need one-off minimizations
List<ConfSearch.EnergiedConf>	minimize(List<ConfSearch.ScoredConf> confs)
void	setReportProgress(boolean val)

Methods inherited from class java.lang.Object

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

Constructor Details

ConfMinimizer

protected ConfMinimizer()

Method Details

init

protected void init(int numThreads,
 Factory<? extends EnergyFunction,Molecule> efuncs,
 Factory<? extends Minimizer,MoleculeModifierAndScorer> minimizers,
 ConfSpace confSpace)

setReportProgress

public void setReportProgress(boolean val)

getAsync

public ConfMinimizer.Async getAsync()

minimize

public ConfSearch.EnergiedConf minimize(ConfSearch.ScoredConf conf)

NOTE: don't call this in a loop, you'll loose all the parallelism but it's here if you need one-off minimizations

minimize

public List<ConfSearch.EnergiedConf> minimize(List<ConfSearch.ScoredConf> confs)

cleanup

public void cleanup()