moleculekit.wrapping module

moleculekit.wrapping.disjoint_set_find(x, parent)

moleculekit.wrapping.disjoint_set_merge(x, y, parent, size)

moleculekit.wrapping.get_bonded_groups(bonds, n_atoms, parent, size)

moleculekit.wrapping.wrap_box(groups, coords, box, centersel, center)

moleculekit.wrapping.wrap_compact_unitcell(groups, coords, boxvectors, centersel, center, mode)

moleculekit.wrapping.wrap_triclinic_unitcell(groups, coords, boxvectors, centersel, center)