refactor: extract magic numbers into named constants module#448
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haoyu-haoyu wants to merge 1 commit intoRosettaCommons:mainfrom
Open
refactor: extract magic numbers into named constants module#448haoyu-haoyu wants to merge 1 commit intoRosettaCommons:mainfrom
haoyu-haoyu wants to merge 1 commit intoRosettaCommons:mainfrom
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Add rfdiffusion/constants.py centralizing magic numbers used across the codebase, with documentation of each constant's meaning and provenance. Replace inline values in 4 files: - Cbeta reconstruction coefficients (-0.58273431, 0.56802827, -0.54067466) used in util.py (2x), Embeddings.py, coords6d.py → CBETA_A/B/C - Amino acid token indices (21=mask, 7=glycine) in run_inference.py → AA_MASK_TOKEN, AA_GLYCINE Also documents additional constants (NO_CONTACT_DIST, CHAIN_BREAK_*, SE3_*_SCALE, diffusion schedule params) for future refactoring.
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Summary
Add
rfdiffusion/constants.pycentralizing undocumented magic numbers with explanations, and replace the most widely duplicated ones.Constants replaced in this PR
CBETA_A/B/Cutil.py,Embeddings.py,coords6d.pyAA_MASK_TOKENrun_inference.pyAA_GLYCINErun_inference.pyConstants documented (for future refactoring)
The constants module also defines (but does not yet wire up) documented constants for:
NO_CONTACT_DIST(999.9) — sentinel distance, used 7 times across 3 filesCHAIN_BREAK_INDEX_JUMP(200) — contig chain break offsetSE3_TRANSLATION_SCALE/SE3_ROTATION_SCALE(10.0 / 100.0) — Track module scalingThese are intentionally left as documentation-only in this PR to keep the diff reviewable. They can be wired up incrementally in follow-up PRs.
Test plan
tests/test_diffusion.py— output should be bit-identical