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marrink-lab / vermouth-martinize

Describe and apply transformation on molecular structures and topologies
Apache License 2.0
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fix error raising for mod not found #602

Closed csbrasnett closed 3 months ago

csbrasnett commented 3 months ago

need to reset extra for every resspec, otherwise 'success': False gets appended for every non-find and 'success': True is never added. This only actually affected the error raised, the annotation was actually applied.

another fix for #553