I am writing an application for sidechain packing and am trying to figure out how to compute the energy table for all pairs of rotamers on a given edge.
I have an InteractionGraphBaseOP that I obtained from calling core::pack::pack_setup(). I'm not quite sure how to tell which interaction graph object it's pointing to, and as far as I can tell the interface for accessing the two-body energies differs for different types. Ideally I would like to construct an interaction graph that precomputes these enerties (e.g. derived from FixedBBInteractionGraph) and then just pull out the entries.