| import os |
| from pathlib import Path |
| import subprocess |
|
|
| from test_basic_usage import REPO_ROOT, DATA_DIR, normalise_output |
|
|
| def test_basic_usage(tmp_path): |
|
|
| |
| af_id = "AF-A0A0A9LVA1-F1-model_v4" |
| example_structure_path = DATA_DIR / f"{af_id}.pdb" |
| expected_cols = [ |
| ['chain_id', 'sequence_md5', 'nres', 'ndom', 'chopping', 'confidence'], |
| ['AF-A0A0A9LVA1-F1-model_v4', 'aed99aecb8126442b8129ea77da917af', '16', '0', 'NULL', '0.932'], |
| ] |
| expected_output = "\n".join(["\t".join(row) for row in expected_cols]) |
| orig_path = Path.cwd() |
| script_path = REPO_ROOT / "scripts" / "get_predictions.py" |
| model_path = REPO_ROOT / "weight" / "model_v1" |
|
|
| results_file = tmp_path / "test_output.tsv" |
|
|
| |
| results_output = None |
| try: |
| os.chdir(str(tmp_path)) |
| cmd_args = ["python", str(script_path), "--structure_file", str(example_structure_path), "-o", str(results_file), |
| "--model_dir", str(model_path), "--renumber_pdbs", |
| ] |
| completed_process = subprocess.run(cmd_args, check=True, capture_output=True) |
| results_output = results_file.read_text().strip() |
| except subprocess.CalledProcessError as e: |
| print(f"ERROR: CMD: {e.cmd}") |
| print(f"ERROR: STDOUT: {e.stdout.decode()}") |
| print(f"ERROR: STDERR: {e.stderr.decode()}") |
| raise |
| finally: |
| os.chdir(str(orig_path)) |
|
|
| |
| assert completed_process.returncode == 0 |
|
|
| |
| assert normalise_output(results_output) == normalise_output(expected_output) |
|
|
| |
| assert "Stride failed" in completed_process.stderr.decode() |
|
|
