edu.duke.cs.osprey/edu.duke.cs.osprey.gui.io/ConfLib/AtomPointer

AtomPointer

interface AtomPointer

Types

object Companion

NoAtomException

class NoAtomException(p: ConfLib.AtomPointer) : RuntimeException

interface Resolver

Functions

abstract fun matchIn(atoms: List<ConfLib.AtomInfo>, anchors: List<ConfLib.Anchor>): ConfLib.AtomPointer?

Returns a new atom pointer that pointes to an equivalent same atom in a specified fragment.

open fun matchInOrThrow(atoms: List<ConfLib.AtomInfo>, anchors: List<ConfLib.Anchor>): ConfLib.AtomPointer

abstract fun resolveCoords(conf: ConfLib.Conf): Vector3d?

Looks up the atom coordinates in the conformation, whether the pointer be to a conformation atom or an anchor atom.

resolveCoordsOrThrow

open fun resolveCoordsOrThrow(conf: ConfLib.Conf): Vector3d

Inheritors

AnchorAtomPointer