ConfAStarTree

java.lang.Object

edu.duke.cs.osprey.astar.conf.ConfAStarTree

All Implemented Interfaces:: ConfSearch

public class ConfAStarTree extends Object implements ConfSearch

Nested Class Summary

Nested Classes

Modifier and Type

Class

Description

static class

ConfAStarTree.Builder

static class

ConfAStarTree.MPLPBuilder

Nested classes/interfaces inherited from interface edu.duke.cs.osprey.confspace.ConfSearch
ConfSearch.EnergiedConf, ConfSearch.MultiSplitter, ConfSearch.ScoredConf, ConfSearch.Splitter
Field Summary

Fields

Modifier and Type

Field

Description

final ConfAStarFactory

factory

final AStarScorer

gscorer

final AStarScorer

hscorer

final MathTools.Optimizer

optimizer

final AStarOrder

order

final AStarPruner

pruner

final RCs

rcs
Method Summary

Modifier and Type

Method

Description

BigInteger

getNumConformations()

Get the total number of conformations in the conformation space.

AStarProgress

getProgress()

void

initProgress()

static ConfAStarTree.MPLPBuilder

MPLPBuilder()

ConfSearch.ScoredConf

nextConf()

Get the conformation in the conformation space with the next lowest score.

List<ConfSearch.ScoredConf>

nextConfs(double thresholdEnergy)

Get the next conformations in the conformation space with scores up to maxEnergy.

void

setParallelism(Parallelism val)

void

stopProgress()

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from interface edu.duke.cs.osprey.confspace.ConfSearch
nextConfs

Field Details
- order
  
  public final AStarOrder order
- gscorer
  
  public final AStarScorer gscorer
- hscorer
  
  public final AStarScorer hscorer
- optimizer
  
  public final MathTools.Optimizer optimizer
- rcs
  
  public final RCs rcs
- factory
  
  public final ConfAStarFactory factory
- pruner
  
  public final AStarPruner pruner
Method Details
- MPLPBuilder
  
  public static ConfAStarTree.MPLPBuilder MPLPBuilder()
- initProgress
  
  public void initProgress()
- getProgress
  
  public AStarProgress getProgress()
- stopProgress
  
  public void stopProgress()
- setParallelism
  
  public void setParallelism(Parallelism val)
- getNumConformations
  
  public BigInteger getNumConformations()
  
  Description copied from interface: ConfSearch
  
  Get the total number of conformations in the conformation space. This can be an astronomically large number.
  
  Specified by:
  
  getNumConformations in interface ConfSearch
- nextConf
  
  public ConfSearch.ScoredConf nextConf()
  
  Description copied from interface: ConfSearch
  
  Get the conformation in the conformation space with the next lowest score.
  
  Specified by:
  
  nextConf in interface ConfSearch
- nextConfs
  
  public List<ConfSearch.ScoredConf> nextConfs(double thresholdEnergy)
  
  Description copied from interface: ConfSearch
  
  Get the next conformations in the conformation space with scores up to maxEnergy.
  
  Specified by:
  
  nextConfs in interface ConfSearch