mosdef-hub / mbuild

A hierarchical, component based molecule builder
https://mbuild.mosdef.org
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Remove rigid body ID assignment from `Compound` #1200

Open chrisjonesBSU opened 3 weeks ago

chrisjonesBSU commented 3 weeks ago

As the simulation engine writers are migrating from mBuild to GMSO, questions came up about how to handle particle-level rigid IDs when adding HOOMD rigidy body support to GMSO.

@CalCraven and I believe rigid body assignment and writing is best handled in GMSO rather than in mBuild (and then converted when going from mbuild --> GMSO).

So, we should remove the rigid_id data structures from the Compound class in mBuild as it won't be used anywhere once #1191 is merged.