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Update test_cgcnn_inference.py
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williamyxl authored Apr 10, 2024
1 parent f0ee5cf commit 6ac3232
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions tests/scoring/test_cgcnn_inference.py
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from pathlib import Path


@mark.parametrize('extxyz_name', ['test-zn'])
def test_run_cgcnn_pred_wrapper_serial(extxyz_name, cif_dir, tmpdir):
def test_run_cgcnn_pred_wrapper_serial():
cif_dir = Path(__file__).parent.resolve() / '..' / "simulation" / "cif_files"
my_ase_mofs = [read(Path(cif_dir) / x, format="cif") for x in os.listdir(cif_dir) if x.endswith(".cif")]
pred, std = run_cgcnn_pred_wrapper_serial(my_ase_mofs, manual_batch_size=7, ncpus_to_load_data=1)
assert len(pred) == len(my_ase_mofs)
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