public InteractionPair(OrbitalList orbitals, string leftGroup, string rightGroup) { mLeftGroup = leftGroup; mRightGroup = rightGroup; mOrbitalsLeft.AddRange(orbitals.OrbitalsInInteractionGroup(leftGroup)); mOrbitalsRight.AddRange(orbitals.OrbitalsInInteractionGroup(rightGroup)); }
internal OrbitalList Clone() { OrbitalList retval = new OrbitalList(); for (int i = 0; i < Count; i++) { retval.Add(this[i].Clone()); } return(retval); }