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

AnchorAtomPointer

data class AnchorAtomPointer(anchor: ConfLib.Anchor, index: Int) : ConfLib.AtomPointer

Functions

open override fun matchIn(atoms: List<ConfLib.AtomInfo>, anchors: List<ConfLib.Anchor>): ConfLib.AnchorAtomPointer?

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

open override 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

open override fun toString(): String

Properties

val anchor: ConfLib.Anchor