Pull Request №730 RosettaCommons/rosetta/main ← lyskov-ai/rosetta/fix/off-by-one-core
Merge: 8ebeca78061b79e9fbbc68db33a78b2fd0361428←5b1e42a376cf85c226292b14278c955744b494f7
Fix off-by-one in 1-indexed loops in core/ (split 1/4 of #707)
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Merge commit message:
Fix off-by-one in 1-indexed loops (core/)
Split from #707 (subsystem: core/). Each loop uses
'for ( Size i = 1; i < container.size(); ++i )' (or < pose.size() /
< nheavyatoms() / < upstream.size()) and the body uses i as a direct
1-indexed accessor, so the last element is silently skipped. Changed
< to <= to include it.
- energy_methods/RNA_LJ_BaseEnergy.cc (RNA neighbor scan)
- io/pose_to_sfr/PoseToStructFileRepConverter.cc (SS-element enumeration; a
1-residue SS element at the C-terminus was dropped)
- pack/interaction_graph/SurfacePotential.cc x3 (neighbor count, surface
energy sum)
- pose/rna/util.cc (heavy-atom contact scan)
- select/residue_selector/JumpUpstreamSelector.cc (subset assignment;
diverged from sibling JumpDownstreamSelector, which already uses <=)