Fix `use_depiction=False` in `dm.align.template_align`

datamol-io / datamol

Molecular Processing Made Easy.

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Closed hadim closed 2 years ago

hadim commented 2 years ago

it does not seem to respect the 2D position of the input template.
Under the hood it uses rdMolAlign.AlignMol which seems to be for 3D. That could explain some weird looking 2d drawing? (not sure about that, need more investigation).

Also because it uses a match, some atoms are highlighted by default. Those flags should be removed.

hadim commented 2 years ago

I'll close here as I can't find the failing examples. Let's wait for more report on this.