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Shared on-disk cache under data/ — network downloads land here for reuse.
Layout (see molgate_ui/contracts/STORAGE.md):
data/pdb/{PDBID}.pdb — PDB 快取（跨 session）
data/sessions/{id}/ — 單次 run 工作區（非快取，但會引用快取）
"""
from __future__ import annotations
import shutil
from pathlib import Path
from molgate_ui.paths import PDB_DIR, SESSIONS, ensure_runtime_dirs
def cache_pdb(pdb_id: str, source: Path) -> Path:
"""Copy *source* into data/pdb/{PDBID}.pdb (create/update shared cache)."""
ensure_runtime_dirs()
pid = pdb_id.strip().upper()
dest = PDB_DIR / f"{pid}.pdb"
if not source.is_file():
raise FileNotFoundError(source)
dest.parent.mkdir(parents=True, exist_ok=True)
shutil.copy2(source, dest)
return dest
def find_cached_pdb(pdb_id: str) -> Path | None:
"""Return data/pdb/{PDBID}.pdb if present."""
pid = pdb_id.strip().upper()
for name in (f"{pid}.pdb", f"{pid.lower()}.pdb"):
p = PDB_DIR / name
if p.is_file() and p.stat().st_size > 0:
return p
return None
def find_pdb_for_session(pdb_id: str, session_dir: Path) -> Path | None:
"""Resolve PDB: current session → shared cache → other sessions."""
pid = pdb_id.strip().upper()
session_path = session_dir / "pdb" / f"{pid}.pdb"
if session_path.is_file() and session_path.stat().st_size > 0:
return session_path
cached = find_cached_pdb(pid)
if cached:
return cached
if SESSIONS.is_dir():
for p in sorted(
SESSIONS.glob(f"*/pdb/{pid}.pdb"),
key=lambda x: x.stat().st_mtime,
reverse=True,
):
if p.is_file() and p.stat().st_size > 0:
return p
return None
def write_session_pdb(pdb_id: str, session_dir: Path, text: str) -> Path:
"""Write PDB text into session and refresh shared cache."""
pid = pdb_id.strip().upper()
out = session_dir / "pdb" / f"{pid}.pdb"
out.parent.mkdir(parents=True, exist_ok=True)
out.write_text(text, encoding="utf-8")
cache_pdb(pid, out)
return out
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