Merge pull request #4622 from RosettaCommons/vmullig/tweak_atomicdepth
Small tweaks to AtomicDepth calculation
This makes the following small tweaks to the AtomicDepth calculation:
- When attempting to mutate residues to leucine, only mutate alpha-amino acids. (Would crash otherwise.)
- When attempting to mutate residues to leucine, do not mutate sidechain-connected residues. (Would crash otherwise.)
This code is used by the `approximate_buried_unsat_penalty` scoreterm. (I sadly have to admit that, unlike my `buried_unsatisfied_penalty`, the `approximate_buried_unsat_penalty` is quantum computer-ready, since it's pairwise-decomposable.)