""" Smoke-test src/data/dataset.py against a real embeddings folder. From project root: python scripts/test_dataset.py python scripts/test_dataset.py --embeddings-dir data/processed/embeddings/esm2_t33_650M """ from __future__ import annotations import argparse import sys from pathlib import Path ROOT = Path(__file__).resolve().parent.parent if str(ROOT) not in sys.path: sys.path.insert(0, str(ROOT)) from src.data.dataset import ( # noqa: E402 ProteinLocalizationDataset, compute_class_weights, create_dataloaders, create_splits, ) def main() -> None: p = argparse.ArgumentParser(description="Test ProteinLocalizationDataset pipeline.") p.add_argument( "--embeddings-dir", type=Path, default=ROOT / "data" / "processed" / "embeddings" / "esm2_t12_35M", help="Folder containing embeddings.npy, accessions.npy, multilabel_targets.npy, label_columns.json", ) args = p.parse_args() emb_dir = args.embeddings_dir if not emb_dir.is_absolute(): emb_dir = (ROOT / emb_dir).resolve() print(f"Embeddings dir: {emb_dir}") if not emb_dir.is_dir(): print("ERROR: directory does not exist. Run embeddings.py first or pass --embeddings-dir.") sys.exit(1) ds = ProteinLocalizationDataset(emb_dir) print(f"len(dataset) = {len(ds)}") print(f"embedding_dim = {ds.embedding_dim}") print(f"num_labels = {ds.num_labels}") print(f"label_names ({len(ds.label_names)}): {ds.label_names}") e, t, acc = ds[0] print(f"\nSample [0]: accession={acc!r}, emb shape={tuple(e.shape)}, target shape={tuple(t.shape)}") train_ds, val_ds, test_ds = create_splits(ds, train_ratio=0.7, val_ratio=0.15, test_ratio=0.15, random_seed=42) print(f"\nSplits: train={len(train_ds)}, val={len(val_ds)}, test={len(test_ds)}") loaders = create_dataloaders(train_ds, val_ds, test_ds, batch_size=8, num_workers=0) emb_b, tgt_b, acc_b = next(iter(loaders["train"])) print(f"\nTrain batch: emb {tuple(emb_b.shape)}, tgt {tuple(tgt_b.shape)}, {len(acc_b)} accessions") w = compute_class_weights(train_ds) print(f"\npos_weight tensor shape: {tuple(w.shape)}") print("\nOK — dataset.py smoke test passed.") if __name__ == "__main__": main()