Dynamically update edge names

[naik-aakash]

Changes

Remove the hardcoded bond-order hover text in the molecule scene, and update edge names dynamically based on the set edge_weight_name property of the molecule graph when it is set. If not set, then only use bond order as hover text .

[naik-aakash]

Hi @minhsueh and @esoteric-ephemera, if this change fine ? If yes could be merged 😄

[naik-aakash]

Hi @minhsueh

I am confused, how is suppose to work then ? I think it will again overwrite whatever edge_weight_name is set during creation of molecule object using the edge_weight_name arg currently added to the function with whatever is set in edge_weight_name_mapping. Do you mean I remove the edge_weight_name arg ?

            if edge_weight_name is None:
                edge_weight_name = "bond order"
            edge_weight_name = edge_weight_name_mapping.get(edge_weight_name, edge_weight_name)
            name_cyl = f"{edge_weight_name}:{connected_site.weight:.2f}"

Now , For example in my other PR, Where is edge_weight_name_mapping dict as kwarg suppose to be passed in my code ? Do not see any obvious way
https://github.com/JaGeo/crystaltoolkit/blob/f8a615c2758ec77ee7d1437f8507034c1e8e07d4/crystal_toolkit/components/localenv.py#L285

[naik-aakash]

Hi @minhsueh

I am confused, how is suppose to work then ? I think it will again overwrite whatever edge_weight_name is set during creation of molecule object using the edge_weight_name arg currently added to the function with whatever is set in edge_weight_name_mapping. Do you mean I remove the edge_weight_name arg ?

            if edge_weight_name is None:
                edge_weight_name = "bond order"
            edge_weight_name = edge_weight_name_mapping.get(edge_weight_name, edge_weight_name)
            name_cyl = f"{edge_weight_name}:{connected_site.weight:.2f}"

Now , For example in my other PR, Where is edge_weight_name_mapping dict as kwarg suppose to be passed in my code ? Do not see any obvious way https://github.com/JaGeo/crystaltoolkit/blob/f8a615c2758ec77ee7d1437f8507034c1e8e07d4/crystal_toolkit/components/localenv.py#L285

Nevermind, I got it working seems. Maybe have a look and let me know if this is fine now.

[minhsueh]

Thanks! @naik-aakash
Sorry for leaving messages in multiple code places — I should have provided a single, clear comment instead.

As you’ve noticed, we use the edge_weight_name defined during molecule creation. The edge_weight_name_mapping simply serves as an additional check to determine whether a different display label should be applied.

This allows users to modify the MoleculeGraph by setting edge_weight_name and edge_weight_units directly, without needing to change lower-level modules or the site scene generation logic.

[naik-aakash]

Thanks! @naik-aakash Sorry for leaving messages in multiple code places — I should have provided a single, clear comment instead.

As you’ve noticed, we use the edge_weight_name defined during molecule creation. The edge_weight_name_mapping simply serves as an additional check to determine whether a different display label should be applied.

This allows users to modify the MoleculeGraph by setting edge_weight_name and edge_weight_units directly, without needing to change lower-level modules or the site scene generation logic.

Thanks, took me some while to understand. Hope now the changes don't break any of the existing behavior 😅