MolAS-Active-Learning / code /downstream /verify_saved_outputs.py
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#!/usr/bin/env python3
"""Check saved-output archive integrity without running scientific analysis."""
from __future__ import annotations
import argparse
import csv
import gzip
import hashlib
import json
from pathlib import Path
import zipfile
def require(condition: bool, message: str) -> None:
if not condition:
raise ValueError(message)
def sha256(path: Path) -> str:
digest = hashlib.sha256()
with path.open("rb") as handle:
for block in iter(lambda: handle.read(1024 * 1024), b""):
digest.update(block)
return digest.hexdigest()
def validate(root: Path, original_archive_manifest: Path | None = None) -> dict:
root = root.resolve()
def local_path(name: str) -> Path:
candidate = (root / name).resolve()
require(candidate.is_relative_to(root), f"Manifest path escapes archive root: {name}")
return candidate
summary = json.loads((root / "archive_summary.json").read_text())
with gzip.open(root / "file_manifest.csv.gz", "rt", newline="") as handle:
rows = list(csv.DictReader(handle))
packaged = [row for row in rows if row["status"] == "packaged_byte_for_byte"]
verified = 0
expected_archive_names = {policy["archive"] for policy in summary["policies"]}
require({path.name for path in root.glob("*.zip")} == expected_archive_names,
"ZIP files differ from the archive summary")
for policy in summary["policies"]:
archive_name = policy["archive"]
archive_path = local_path(archive_name)
matching = [row for row in packaged if row["archive"] == archive_name]
expected = {row["archive_member"]: row for row in matching}
require(len(expected) == len(matching), f"Duplicate manifest members: {archive_name}")
require(len(expected) == policy["packaged_files"], f"Incorrect packaged count: {archive_name}")
require(archive_path.stat().st_size == policy["archive_bytes"], f"Archive size mismatch: {archive_name}")
require(sha256(archive_path) == policy["archive_sha256"], f"Archive hash mismatch: {archive_name}")
with zipfile.ZipFile(archive_path) as archive:
names = archive.namelist()
require(len(names) == len(set(names)), f"Duplicate ZIP members: {archive_name}")
require(set(names) == set(expected), f"ZIP member set mismatch: {archive_name}")
for name in names:
# Reading the entire member also invokes ZipFile's CRC check.
payload = archive.read(name)
row = expected[name]
require(len(payload) == int(row["source_bytes"]), f"Payload size mismatch: {name}")
require(hashlib.sha256(payload).hexdigest() == row["sha256"], f"Payload hash mismatch: {name}")
verified += 1
require(verified == len(packaged), "Some packaged manifest rows were not verified")
mirrors = [row for row in packaged if row["summary_mirror"]]
expected_mirrors = {row["summary_mirror"] for row in mirrors}
require(len(expected_mirrors) == len(mirrors), "Duplicate mirror paths in manifest")
actual_mirrors = {path.relative_to(root).as_posix() for path in (root / "summary_tables").rglob("*.csv")}
require(actual_mirrors == expected_mirrors, "Missing or stale generated summary mirrors")
for row in mirrors:
require(sha256(local_path(row["summary_mirror"])) == row["sha256"],
f"Summary mirror hash mismatch: {row['summary_mirror']}")
require(sum(policy["source_files"] for policy in summary["policies"]) == len(rows),
"Original file count differs between summary and manifest")
missing = len(rows) - verified
require(sum(policy["missing_files"] for policy in summary["policies"]) == missing,
"Missing file count differs between summary and manifest")
require(summary["all_saved_files_packaged"] == (missing == 0), "Incorrect completeness flag")
original_members_verified = None
if original_archive_manifest is not None:
original = json.loads(original_archive_manifest.read_text())
source_members = {item["member"]: item for item in original["files"]}
require(len(source_members) == len(original["files"]), "Duplicate original archive members")
prefix = summary["source_directory_name"] + "/"
require({prefix + row["archive_member"] for row in rows} == set(source_members),
"Original archive and packaged inventory describe different source CSVs")
for row in packaged:
member = prefix + row["archive_member"]
source = source_members[member]
require(row["sha256"] == source["sha256"] and int(row["source_bytes"]) == source["bytes"],
f"Original archive member identity mismatch: {member}")
original_members_verified = len(packaged)
return {
"scope": "release_archive_integrity_only_not_scientific_reproduction",
"original_csv_files_in_manifest": len(rows),
"verified_zip_members": verified,
"verified_summary_mirrors": len(mirrors),
"zip_crc_ok": True,
"all_packaged_member_sha256_matches": True,
"archive_sha256_matches": True,
"stale_summary_mirrors": 0,
"missing_original_csv_payloads": missing,
"all_original_csv_payloads_packaged": missing == 0,
"verified_original_archive_member_hashes": original_members_verified,
"new_scientific_experiments": False,
}
def main() -> None:
parser = argparse.ArgumentParser(description=__doc__)
parser.add_argument("--output-dir", type=Path,
default=Path(__file__).resolve().parents[2] / "results/downstream")
parser.add_argument("--write-report", action="store_true",
help="Write verification.json after successful integrity checks")
parser.add_argument("--require-complete", action="store_true",
help="Return nonzero if any original CSV payload remains unavailable")
parser.add_argument("--original-archive-manifest", type=Path,
help="Also compare member identities to the original archive recovery manifest")
args = parser.parse_args()
report = validate(args.output_dir, args.original_archive_manifest)
if args.write_report:
(args.output_dir / "verification.json").write_text(json.dumps(report, indent=2) + "\n")
print(json.dumps(report, indent=2))
if args.require_complete and not report["all_original_csv_payloads_packaged"]:
raise SystemExit(1)
if __name__ == "__main__":
main()