CrysViz structure viewer

Install the optional integration with:

python -m pip install "httk-analyse[crysviz]"

CrysViz uses pywebview for its desktop window. Install the matching backend extra, such as crysviz[gtk] or crysviz[qt], when your platform needs one.

from httk.analyse.crysviz import show, to_payload
from httk.atomistic import UnitcellStructureView

structure = UnitcellStructureView("example.cif")
viewer = show(structure)
viewer.wait()
payload = to_payload(structure)  # pass it to crysviz.Viewer for advanced control

show() returns after the viewer window is ready and remains non-blocking afterwards. The returned viewer can also be used as a context manager. Use to_payload() when constructing crysviz.Viewer yourself or when a serialized payload needs to be inspected before launching.

Pass name= to choose the payload filename. It must be a plain filename, not a path; otherwise the structure formula is used when it is a safe filename.