File size: 1,327 Bytes
504d922 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 | 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))
|