3. Visualize a structure

Status

There is no v2 replacement for structure.vis.show() or the old Jmol plugin. The same result is available through the generic primitive view and an external viewer such as ASE.

from ase import Atoms
from ase.visualize import view
from httk.atomistic import StructurePrimitiveView, load_structure

lattice, positions, numbers = StructurePrimitiveView(load_structure("POSCAR"))
view(Atoms(numbers=numbers, cell=lattice, scaled_positions=positions, pbc=True))

StructurePrimitiveView is an immutable, float-valued (lattice, positions, atomic_numbers) tuple. It is the intended interoperability boundary for libraries that use the common spglib-style representation.