Molecule de-duplication lost in Topology
roundtrips
#2034
Labels
polymer-performance
Runtime of loading and/or parametrizing (bio)polymers
Describe the bug
Molecule de-duplication is needed to make several API points useful but can be very slow, so its results are cached after the first call. This cache, however, does not survive several roundtrips.
For better or worse, duplicating a
Topology
object using its constructor is a support feature and commonly-used downstream. Losing this cache forces its re-building and removes some of the benefit of caching it in the first place.To Reproduce
Additional context
One could
but this is unstable
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