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feat(metadata): sync up core scripts - #1

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DorisMai merged 1 commit into
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sync/core-from-dev
Aug 3, 2026
Merged

feat(metadata): sync up core scripts#1
DorisMai merged 1 commit into
mainfrom
sync/core-from-dev

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@DorisMai

@DorisMai DorisMai commented Aug 3, 2026

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Sync core-path changes from dev branch (fa91040, 66f8a31, 7f5611c).

  • cw/align.py: extract paired_alignment_trace() out of get_paired_ca_positions,
    add GAP_PENALTY constant. Pure refactor, behavior unchanged.
  • cw/metadata.py: new resolve_diffrn_temp() and resolve_crystal_grow() pulling
    ph / crystal_grow_temp / diffrn_temp from the RCSB entry JSON already fetched
    for experiment_condition. ph falls back to the pdbx_pH_range string, so the
    column is object dtype, not float.
  • scripts/build_metadata.py: docstring only.

@DorisMai
DorisMai merged commit 6fe7f60 into main Aug 3, 2026
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@DorisMai
DorisMai deleted the sync/core-from-dev branch August 4, 2026 00:00
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