Package edu.duke.cs.osprey.confspace

Interface ConfSearch

All Known Implementing Classes:

AStarTree, COMETSTree, ConfAStarTree, ConfSearch.MultiSplitter.Stream, ConfSearchCache.Entry, ConfTree, KAStarConfTree, MultiSequenceConfTree, NewCOMETSTree

public interface ConfSearch

A generic interface for A* searches over a conformatio space. Each search defines an order for all conformations in the conformation space, and enumerates those conformations order of increasing score.

Nested Class Summary

Nested Classes

Modifier and Type	Interface	Description
static class	ConfSearch.EnergiedConf	A conformation from a conformation space with an associated score, and an associated energy.
static class	ConfSearch.MultiSplitter	Lets multiple consumers read confs from the stream regardless of order of reads.
static class	ConfSearch.ScoredConf	A conformation from a conformation space with an associated score.
static class	ConfSearch.Splitter	Lets exactly two consumers read confs from the stream, where one consumer always reads before the other.

Method Summary

Modifier and Type	Method	Description
default BigInteger	getNumConformations()	Get the total number of conformations in the conformation space.
ConfSearch.ScoredConf	nextConf()	Get the conformation in the conformation space with the next lowest score.
default List<ConfSearch.ScoredConf>	nextConfs(double maxEnergy)	Get the next conformations in the conformation space with scores up to maxEnergy.
default List<ConfSearch.ScoredConf>	nextConfs(int num)	Get the next `num` conformations in the conformation space

Method Details

nextConf

ConfSearch.ScoredConf nextConf()

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

getNumConformations

default BigInteger getNumConformations()

Get the total number of conformations in the conformation space. This can be an astronomically large number.

nextConfs

default List<ConfSearch.ScoredConf> nextConfs(double maxEnergy)

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

nextConfs

default List<ConfSearch.ScoredConf> nextConfs(int num)

Get the next `num` conformations in the conformation space