Pdbe 8507 interface table data only#53
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Pull request overview
This PR adds a new post-processing step to generate an interface_details.json artifact by combining per-interface JSON outputs with monomer/component metadata, aiming to simplify front-end cross-referencing and enable a download feature.
Changes:
- Adds
PostProcessInterfaceDetailsListto compile interface + component data into a singleinterface_details.jsonoutput. - Introduces new Pydantic post-process models (
InterfaceDetails*) and supporting field/label helpers to standardize schema metadata. - Refactors several existing Pydantic model fields to use shared
*Field()helpers for consistent descriptions/examples.
Reviewed changes
Copilot reviewed 6 out of 6 changed files in this pull request and generated 5 comments.
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| File | Description |
|---|---|
| pisa_utils/run.py | Wires the new post-processor into the service pipeline to emit interface_details.json. |
| pisa_utils/post_process_parsers.py | Implements PostProcessInterfaceDetailsList to merge interface JSONs with monomer/component extended data. |
| pisa_utils/models/post_process_models.py | Adds new Pydantic models for the interface_details.json schema. |
| pisa_utils/models/labels.py | Adds new label text for component-scoped p-value and solvation-energy fields. |
| pisa_utils/models/data_models.py | Refactors multiple model fields to reuse shared *Field() helpers (schema metadata consistency). |
| pisa_utils/models/data_fields.py | Introduces reusable *Field() helper functions for repeated schema fields. |
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Co-authored-by: Copilot Autofix powered by AI <175728472+Copilot@users.noreply.github.com>
…st missing dir and unrelated files (#54) * Initial plan * Fix os.listdir usage in PostProcessInterfaceDetailsList.parse() - mirror CompileInterfaceSummaryJSON approach Agent-Logs-Url: https://github.com/PDBe-KB/pisa-analysis/sessions/a5c9fa4a-7b33-452b-8efb-694672b776b3 Co-authored-by: Joseph-Ellaway <69363546+Joseph-Ellaway@users.noreply.github.com> --------- Co-authored-by: copilot-swe-agent[bot] <198982749+Copilot@users.noreply.github.com> Co-authored-by: Joseph-Ellaway <69363546+Joseph-Ellaway@users.noreply.github.com>
mihaitodor
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May 26, 2026
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LGTM, just one small nit
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Thanks, @mihaitodor ! I'll resolve the only nit for now (opened an issue to address this) which I'll work on next. I'll finish this PR by adding tests before moving on. |
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@mihaitodor Tests are now added. Let me know if you want to give them a check |
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Adds model and parser to create a new
interface_details.jsonfile. A requirement for front-end download feature and simplifies all the cross-referencing logic in the FE