#!/usr/bin/env python3
# Copyright 2026 Emile de Bruyn
# SPDX-License-Identifier: Apache-2.0

"""Run the historical construction snapshot after strict input checks."""
import argparse
import hashlib
import os
import shutil
import subprocess
import sys
from pathlib import Path

import yaml

ROOT = Path(__file__).resolve().parents[1]
EXPECTED = {
    "prosite_dat": "00f9598c5ddcef7b9d414cd24b968ad8a746e6b808e8fa525787f0e739f2e9c7",
    "prosite_doc": "677dfd65f3818b7ebfc729d25abc40c633e72bb408a40eba39a3a770db3dfec1",
}


def main():
    parser = argparse.ArgumentParser(description=__doc__)
    parser.add_argument("--config", type=Path, default=ROOT / "construction/configs/reference.yaml")
    args = parser.parse_args()
    with args.config.open() as handle:
        config = yaml.safe_load(handle)
    for key, expected in EXPECTED.items():
        path = Path(config["input"][key])
        digest = hashlib.sha256(path.read_bytes()).hexdigest()
        if digest != expected:
            raise ValueError(f"{path}: wrong PROSITE input (SHA-256 {digest})")
    if config.get("prosite_release") != "2021_04":
        raise ValueError("configuration must pin PROSITE release 2021_04")
    reference = Path(config["input"]["reference_motifbench_cases"])
    if not reference.is_file():
        raise FileNotFoundError(f"missing historical MotifBench reference cases: {reference}")
    analysis = config["structure_analysis"]
    if not analysis.get("use_foldseek") or not analysis.get("foldseek_conservation"):
        raise ValueError("the historical configuration requires Foldseek conservation")
    foldseek = shutil.which("foldseek")
    if not foldseek:
        foldseek = next((p for p in analysis.get("foldseek_candidates", [])
                         if Path(p).is_file() and os.access(p, os.X_OK)), None)
    if not foldseek:
        raise FileNotFoundError("Foldseek executable not found")
    result = subprocess.run([foldseek, "version"], check=True, capture_output=True, text=True)
    print(f"Foldseek version: {result.stdout.strip() or result.stderr.strip()}")
    output = Path(config["output_root"])
    if output.exists():
        raise FileExistsError(f"refusing to reuse existing output directory: {output}")
    sys.path.insert(0, str(ROOT / "construction"))
    from motifbench_prosite.cli import main as run_pipeline
    run_pipeline(["--config", str(args.config)])


if __name__ == "__main__":
    main()