Package edu.duke.cs.osprey.structure

Class ProbeAtomNeighbors

java.lang.Object

edu.duke.cs.osprey.structure.AtomNeighbors

edu.duke.cs.osprey.structure.ProbeAtomNeighbors

public class ProbeAtomNeighbors
extends AtomNeighbors

This version of AtomNeighbors matches the convention in Probe where atoms bonded 1,5 are only treated as non-bonded if neither is an H

Nested Class Summary

Nested classes/interfaces inherited from class edu.duke.cs.osprey.structure.AtomNeighbors

AtomNeighbors.Type

Constructor Summary

Constructors

Constructor	Description
ProbeAtomNeighbors(Atom mainAtom)

Method Summary

Modifier and Type	Method	Description
AtomNeighbors.Type	classifyAtom(Atom atom)

Methods inherited from class edu.duke.cs.osprey.structure.AtomNeighbors

getPairIndicesByType, getPairs14, getPairs14, getPairsByType, getPairsByType, getPairsNonBonded, getPairsNonBonded

Methods inherited from class java.lang.Object

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

Constructor Details

ProbeAtomNeighbors

public ProbeAtomNeighbors(Atom mainAtom)

Method Details

classifyAtom

public AtomNeighbors.Type classifyAtom(Atom atom)

Overrides:

classifyAtom in class AtomNeighbors