diff --git a/tests/test_inference_dataset.py b/tests/test_inference_dataset.py index fb98616..6269351 100644 --- a/tests/test_inference_dataset.py +++ b/tests/test_inference_dataset.py @@ -52,3 +52,4 @@ def test_ions_parsing(tokenizer: AllAtomResidueTokenizer): chain = chains[0] assert chain.structure_context.num_atoms == 1 assert chain.structure_context.atom_ref_charge == 2 + assert chain.structure_context.atom_ref_element.item() == 12