Support for Marimo notebooks

[dylanbmorgan]

Would it be possible to include support for Marimo notebooks? Marimo supports the anywidget spec, which I saw was already being used for BaseWidget, so I'm not sure how much extra work would be required for WeasWidget?

I'm very happy to assist/submit a PR on the python end if needed, but unfortunately I've never used JS before.

[superstar54]

Hi @dylanbmorgan , thanks for openning this issue.

The WeasWdiget class inherits theipywidgets.VBox to wrap all sub-components together, which could be the reason why the widget does not work in Marimo notebook. You can bypass this ipywdigets.VBox wrapper layer and use the sub-components directly. Here is a working example:

from weas_widget.base_widget import BaseWidget
from weas_widget.atoms_viewer import AtomsViewer
from weas_widget.utils import ASEAdapter
from ase.build import molecule

# I disabled the controls in the GUi, because the style is not loaded properly inside Marimo notebook
guiConfig={"controls": {"enabled": False}}

atoms = molecule("C2H6SO")

v = AtomsViewer(BaseWidget(guiConfig=guiConfig))
v.atoms = ASEAdapter.to_weas(atoms)
v.model_style = 1
v._widget

You can write another wrapper using Marimo's component (I don't use Marimo, so I don't know which component) to replace the ipywidgets.VBox. Only Python code is needed.

[dylanbmorgan]

Perfect, thanks a lot! Do you what it would take to get the controls working too?

[superstar54]

I don't know yet. Need to look into this more.