OCDocker.OCScore.Utils.ProtocolProvenance module

Production-grade provenance artifact bundle for staged OCScore runs.

OCDocker.OCScore.Utils.ProtocolProvenance.build_split_assignments_payload(*, pdbbind_stage=None, dudez_stage=None)[source]

Build split assignment payload for split_assignments.json.

Parameters:

  • pdbbind_stage (dict[str, Any] | None, optional) – PDBbind stage summary from context.stage_results.

  • dudez_stage (dict[str, Any] | None, optional) – DUDEz stage summary from context.stage_results.

Returns:

JSON-serializable split indices and diagnostics.

Return type:

dict[str, Any]

OCDocker.OCScore.Utils.ProtocolProvenance.write_production_provenance_bundle(output_dir, *, feature_selection=None, scaling=None, split_assignments=None, data_provenance=None, command=None, final_report=None, leakage_audit=None)[source]

Write standard production-grade provenance JSON artifacts.

Returns:

Mapping from artifact name to written path.

Return type:

dict[str, str]

Parameters:

  • output_dir (str | Path)

  • feature_selection (dict[str, Any] | None)

  • scaling (dict[str, Any] | None)

  • split_assignments (dict[str, Any] | None)

  • data_provenance (dict[str, Any] | None)

  • command (dict[str, Any] | None)

  • final_report (dict[str, Any] | None)

  • leakage_audit (dict[str, Any] | None)