Slient dropping of edge attributes

marrink-lab / vermouth-martinize

Describe and apply transformation on molecular structures and topologies

Apache License 2.0

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Closed fgrunewald closed 3 months ago

fgrunewald commented 3 months ago

Several functions, that operate on Molecule, do not carry over edge attributes. For now, those are:

@pckroon I believe this is a bug and the edge attributes should be carried over or am I missing something.

pckroon commented 3 months ago

Correct, this is a ~bug~missing feature. Shouldn't be too hard to fix, fortunately.