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Simplify CIF helper functions in pdb_deposition.py - #86

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tdudgeon merged 1 commit into
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feature/simplify-pdb-deposition-helpers
Jun 10, 2026
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Simplify CIF helper functions in pdb_deposition.py#86
tdudgeon merged 1 commit into
masterfrom
feature/simplify-pdb-deposition-helpers

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Summary

  • Remove two unused functions (append_data_to_values, prune_loop)
  • Remove trivial dict_to_tags_values; inline at call site
  • Inline add_row_if_not_excluded into collect_entity_values
  • Merge delete_pair_item + delete_loop_itemdelete_cif_items (keyword args pairs=/loops=)
  • Merge append_loop_items + combine_diffrn_loopsbuild_loop (None-safe); fixes docstring copy-paste bug

Net: 14 functions → 9, 138 lines deleted. All 65 tests pass.

Closes #85

Test plan

  • pytest tests/ — 65 passed, 0 failed

🤖 Generated with Claude Code

- Remove unused functions: append_data_to_values and prune_loop
- Remove dict_to_tags_values (trivial); inline at call site with list(d.keys())/list(d.values())
- Inline add_row_if_not_excluded into collect_entity_values
- Merge delete_pair_item + delete_loop_item into delete_cif_items (keyword args select item type)
- Merge append_loop_items + combine_diffrn_loops into build_loop (None-safe, handles both use cases)

Closes #85

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
@tdudgeon
tdudgeon merged commit 6da0e54 into master Jun 10, 2026
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@tdudgeon
tdudgeon deleted the feature/simplify-pdb-deposition-helpers branch June 10, 2026 13:07
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Simplify helper functions in pdb_deposition.py (lines 603–827)

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