edu.duke.cs.osprey/edu.duke.cs.osprey.molscope.molecule/Molecule/Bonds

Bonds

inner class Bonds

Functions

fun add(pair: AtomPair): Boolean

fun add(a1: Atom, a2: Atom): Boolean

fun bondedAtoms(atom: Atom): MutableSet<Atom>

bondedAtomsSorted

fun bondedAtomsSorted(atom: Atom): List<Atom>

fun clear()

connectedComponents

fun connectedComponents(amongAtoms: Collection<Atom> = atoms): List<Set<Atom>>

fun count(): Int

fun isBonded(pair: AtomPair): Boolean

fun isBonded(a1: Atom, a2: Atom): Boolean

fun remove(pair: AtomPair): Boolean

fun remove(a1: Atom, a2: Atom): Boolean

fun toSet(): Set<AtomPair>