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

Fragment

data class Fragment(id: String, name: String, type: String, atoms: List<ConfLib.AtomInfo>, bonds: List<ConfLib.Bond>, anchors: List<ConfLib.Anchor>, confs: Map<String, ConfLib.Conf>, motions: List<ConfLib.ContinuousMotion>)

Functions

fun bfs(source: ConfLib.AtomInfo, visitSource: Boolean = false, shouldVisit: (fromAtom: ConfLib.AtomInfo, toAtom: ConfLib.AtomInfo) -> Boolean = { _, _ -> true }): Iterable<ConfLib.AtomInfo>

Walk the bond graph using breadth-first search.

fun bondedAtoms(atom: ConfLib.AtomInfo): List<ConfLib.AtomInfo>

fun getAtomsFor(anchor: ConfLib.Anchor): List<ConfLib.AtomInfo>

fun getConfs(vararg id: String): MutableSet<ConfLib.Conf>

fun uniqueId(conflib: ConfLib): String

Properties

val anchors: List<ConfLib.Anchor>

val atoms: List<ConfLib.AtomInfo>

val bonds: List<ConfLib.Bond>

val confs: Map<String, ConfLib.Conf>

val motions: List<ConfLib.ContinuousMotion>

val name: String

val type: String