from __future__ import annotations from pathlib import Path from typing import Optional def pdb_to_pdbqt_placeholder(pdb_path: str | Path, out_path: str | Path) -> Path: """Placeholder conversion hook. Copies source content for adapter-level wiring tests.""" source = Path(pdb_path) target = Path(out_path) target.parent.mkdir(parents=True, exist_ok=True) target.write_text(source.read_text(encoding="utf-8"), encoding="utf-8") return target def smiles_to_sdf_placeholder(smiles: str, ligand_id: str, out_path: str | Path) -> Path: """Write minimal placeholder SDF-like file used when backend preprocessing is unavailable.""" target = Path(out_path) target.parent.mkdir(parents=True, exist_ok=True) payload = f"{ligand_id}\n generated\n\n0 0 0 0 0 0 999 V2000\nM END\n> \n{smiles}\n\n$$$$\n" target.write_text(payload, encoding="utf-8") return target def maybe_float(value: object, default: Optional[float] = None) -> Optional[float]: try: return float(value) # type: ignore[arg-type] except (TypeError, ValueError): return default