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Revisions №58289

branch: master 「№58289」
Commited by: Andrew Leaver-Fay
GitHub commit link: 「f25111060a095707」 「№900」
Difference from previous tested commit:  code diff
Commit date: 2015-11-17 16:11:43

Merge pull request #900 from RosettaCommons/aleaverfay/bugfix_symm_otf_ig_asu_starts_at_res_1 Fixing two bugs in the symmetric, on-the-fly interaction graph code 1. Fixing an iteration across the wrong number of things when initializing the SymmOnTheFlyNode::state_offset_for_restype_group_ data member (thanks Rocco for bringing this to my attention!) 2. Fixing a false assumption of the SymmOTF IG that the asymmetric unit would always start at residue 1 and run to num_independent_residues. Adding a new unit test where the asymmetric unit is subunit 4, and that checks that changes in energy computed by the on-the-fly interaction graph matches the precompute-and-store interaction graph. All unit tests pass; several symmetry-related integration tests change as a result of a bug in how the one-body energies were being computed.

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