#!/usr/bin/env python3 from __future__ import annotations import argparse import hashlib import json from pathlib import Path try: import yaml except ImportError as exc: raise SystemExit("PyYAML is required for dataset validation: pip install pyyaml") from exc def sha256(path: Path) -> str: h = hashlib.sha256() with path.open("rb") as f: for chunk in iter(lambda: f.read(1024 * 1024), b""): h.update(chunk) return h.hexdigest() def check_json(path: Path) -> None: data = json.loads(path.read_text(encoding="utf-8")) if data.get("dialect") != "alphafold3": raise AssertionError(f"{path} dialect is not alphafold3") if "sequences" not in data or not data["sequences"]: raise AssertionError(f"{path} has no sequences") def main() -> None: parser = argparse.ArgumentParser() parser.add_argument("--root", default=".") parser.add_argument("--skip-hash", action="store_true") args = parser.parse_args() root = Path(args.root).resolve() manifest = yaml.safe_load((root / "metadata" / "file_manifest.yaml").read_text(encoding="utf-8")) for entry in manifest["dataset_directories"]: path = root / entry["path"] if not path.exists(): raise AssertionError(f"missing linked dataset directory: {entry['path']}") for entry in manifest["files"]: path = root / entry["path"] if not path.is_file(): raise AssertionError(f"missing verified data file: {entry['path']}") if path.name != Path(entry["source_path"]).name: raise AssertionError(f"filename mismatch: {entry['path']}") if path.stat().st_size != entry["size_bytes"]: raise AssertionError(f"size mismatch: {entry['path']}") if not args.skip_hash and sha256(path) != entry["sha256"]: raise AssertionError(f"sha256 mismatch: {entry['path']}") check_json(root / "data" / "infer_input_data" / "all_data" / "7r6r_data.json") check_json(root / "data" / "infer_input_data" / "all_data" / "t1119_data.json") print("dataset_validation_ok: true") if __name__ == "__main__": main()