Skip to content

Use encoded style ids for AutoRep representations #297

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Open
cpignedoli wants to merge 2 commits into
base: split/pr-19-auto-representations
Choose a base branch
from
Open

Use encoded style ids for AutoRep representations #297

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
2 commits
Select commit Hold shift + click to select a range
384220e
Use encoded style ids for auto representations
cpignedoli Jun 24, 2026
cdd55ba
Preserve stored viewer representations in AutoRep
cpignedoli Jun 25, 2026
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
16 changes: 14 additions & 2 deletions surfaces_tools/widgets/auto_representations.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -34,7 +34,14 @@ def _make_representation(
atom_show_threshold=1,
):
representation = awb_viewers.NglViewerRepresentation(
style_id=style_id or f"{viewer.REPRESENTATION_PREFIX}{name}",
style_id=style_id
or awb_viewers.encode_representation_style_id(
viewer.REPRESENTATION_PREFIX,
representation_type=representation_type,
size=3,
color="element",
token=name,
),
indices=indices,
deletable=deletable,
atom_show_threshold=atom_show_threshold,
Expand Down Expand Up @@ -142,7 +149,12 @@ def __init__(self, viewer, **kwargs):
self.observe(self._observe_structure, names="structure")

def _observe_structure(self, _=None):
if isinstance(getattr(self.viewer, "structure", None), Atoms):
structure = getattr(self.viewer, "structure", None)
has_stored_representations = isinstance(structure, Atoms) and any(
array.startswith(self.viewer.REPRESENTATION_PREFIX)
for array in structure.arrays
)
if isinstance(structure, Atoms) and not has_stored_representations:
reset_default_representation(self.viewer)
self.status.value = ""

Expand Down
8 changes: 8 additions & 0 deletions tests/test_auto_representations.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -50,6 +50,14 @@ def test_apply_auto_representations(self):
self.assertEqual(viewer._all_representations[0].selection.value, "3..4")
self.assertEqual(viewer._all_representations[1].type.value, "spacefill")
self.assertEqual(viewer._all_representations[1].selection.value, "1..2")
expected_style_id = viewers.encode_representation_style_id(
viewer.REPRESENTATION_PREFIX,
representation_type="spacefill",
size=3,
color="element",
token="non_molecule",
)
self.assertEqual(viewer._all_representations[1].style_id, expected_style_id)

def test_structure_change_resets_stale_auto_representations(self):
first_structure = Atoms(
Expand Down