from __future__ import annotations import json from pathlib import Path import sys ROOT_DIR = Path(__file__).resolve().parents[1] if str(ROOT_DIR) not in sys.path: sys.path.insert(0, str(ROOT_DIR)) import requests def build_demo_dataset() -> dict: """Attempt to fetch real target structure; fallback to bundled offline demo assets.""" root = Path(__file__).resolve().parents[1] target_path = root / "data/targets/mdm2_1ycr_excerpt.pdb" metadata_path = root / "data/benchmarks/mdm2_demo_metadata.json" fetched = False url = "https://files.rcsb.org/download/1YCR.pdb" try: response = requests.get(url, timeout=15) if response.status_code == 200 and "ATOM" in response.text: target_path.write_text(response.text, encoding="utf-8") fetched = True except Exception: fetched = False metadata = json.loads(metadata_path.read_text(encoding="utf-8")) metadata["target"]["download_attempted"] = True metadata["target"]["download_succeeded"] = fetched metadata["target"]["download_url"] = url metadata_path.write_text(json.dumps(metadata, indent=2), encoding="utf-8") return {"target_path": str(target_path), "download_succeeded": fetched} if __name__ == "__main__": print(json.dumps(build_demo_dataset(), indent=2))