Refine and rank possible origin shifts - #357
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This was referenced Aug 22, 2026
tjlane
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! This PR was vibe-coded.
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Part 7 of 11 for #31. Depends on #356. Merge bottom-up.
Next branch: codex/phase-alignment-08-phase-data.
What this implements
Adds the exact weighted circular phase objective and analytic gradient, continuous local refinement, per-coset candidate ranking, and equivalence reduction modulo lattice and centering translations.
Every retained FFT maximum is refined within its allowed polar coordinates. Crystallographically equivalent solutions are collapsed before ranking.
Tests
The layer covers empty candidate sets, optimizer failure propagation, centering equivalence, and the seeded noisy P 21 regression that motivated the constrained per-coset FFT. The new search matches the dense reference for the pinned failure case.
Reviewer focus
Related: #31 and #174.