#!/usr/bin/env python3 """Validate the standardized PDENNEval dataset package.""" from __future__ import annotations import argparse import hashlib import json import math import sys from pathlib import Path import h5py import numpy as np REPO_ROOT = Path(__file__).resolve().parents[1] DATA_ROOT = REPO_ROOT / "data" CHECKSUM_PATH = REPO_ROOT / "files_sha256.jsonl" EXPECTED_FILES = { "1D_Burgers_Sols_Nu0.001.hdf5": { "datasets": { "tensor": {"ndim": 3, "dtype": "float32"}, "x-coordinate": {"ndim": 1, "dtype": "float32"}, "t-coordinate": {"ndim": 1, "dtype": "float32"}, }, "attrs": {"Nu": 0.001}, }, "2D_DarcyFlow_beta0.1_Train.hdf5": { "datasets": { "tensor": {"ndim": 4, "dtype": "float32"}, "nu": {"ndim": 3, "dtype": "float32"}, "x-coordinate": {"ndim": 1, "dtype": "float32"}, "y-coordinate": {"ndim": 1, "dtype": "float32"}, }, "attrs": {"beta": 0.1}, }, "1D_Advection_Sols_beta1.0.hdf5": { "datasets": { "tensor": {"ndim": 3, "dtype": "float32"}, "x-coordinate": {"ndim": 1, "dtype": "float32"}, "t-coordinate": {"ndim": 1, "dtype": "float32"}, }, "attrs": {}, }, } def fail(message: str) -> None: print(f"[FAIL] {message}") raise SystemExit(1) def ok(message: str) -> None: print(f"[OK] {message}") def warn(message: str) -> None: print(f"[WARN] {message}") def sha256_file(path: Path) -> str: digest = hashlib.sha256() with path.open("rb") as handle: for chunk in iter(lambda: handle.read(1024 * 1024), b""): digest.update(chunk) return digest.hexdigest() def as_float(value: object) -> float | None: try: return float(value) except (TypeError, ValueError): return None def validate_hdf5_file(path: Path, spec: dict[str, object]) -> None: if not path.is_file(): fail(f"missing expected HDF5 file: {path}") with h5py.File(path, "r") as handle: for attr_name, expected in spec.get("attrs", {}).items(): actual = as_float(handle.attrs.get(attr_name)) if actual is None or not math.isclose(actual, float(expected), rel_tol=1e-6, abs_tol=1e-12): fail(f"{path.name} attr {attr_name!r} expected {expected}, got {handle.attrs.get(attr_name)!r}") for dataset_name, dataset_spec in spec["datasets"].items(): if dataset_name not in handle: fail(f"{path.name} missing dataset {dataset_name!r}") dataset = handle[dataset_name] if dataset.ndim != dataset_spec["ndim"]: fail(f"{path.name}/{dataset_name} ndim expected {dataset_spec['ndim']}, got {dataset.ndim}") if str(dataset.dtype) != dataset_spec["dtype"]: fail(f"{path.name}/{dataset_name} dtype expected {dataset_spec['dtype']}, got {dataset.dtype}") if any(dim <= 0 for dim in dataset.shape): fail(f"{path.name}/{dataset_name} has invalid shape {dataset.shape}") probe = np.asarray(dataset[0]) if not np.isfinite(probe).all(): fail(f"{path.name}/{dataset_name} first slice contains non-finite values") ok(f"{path.name} HDF5 schema is readable") def verify_checksums(full_hash: bool) -> None: if not CHECKSUM_PATH.exists(): warn(f"checksum manifest is not present: {CHECKSUM_PATH}") return records = [json.loads(line) for line in CHECKSUM_PATH.read_text(encoding="utf-8").splitlines() if line.strip()] if not records: fail("checksum manifest is empty") for record in records: path = REPO_ROOT / record["path"] if not path.is_file(): fail(f"checksum entry points to missing file: {path}") size = path.stat().st_size if size != record["size"]: fail(f"size mismatch for {path}: expected {record['size']}, got {size}") if full_hash: digest = sha256_file(path) if digest != record["sha256"]: fail(f"sha256 mismatch for {path}") mode = "size+sha256" if full_hash else "size" ok(f"checksum manifest verified in {mode} mode: {len(records)} files") def main() -> int: parser = argparse.ArgumentParser() parser.add_argument("--full-hash", action="store_true", help="verify SHA256 for all large HDF5 files") args = parser.parse_args() if not DATA_ROOT.is_dir(): fail(f"dataset data root does not exist: {DATA_ROOT}") for filename, spec in EXPECTED_FILES.items(): validate_hdf5_file(DATA_ROOT / filename, spec) verify_checksums(args.full_hash) ok("dataset validation completed") return 0 if __name__ == "__main__": sys.exit(main())