diff --git a/app/services/results_utils.py b/app/services/results_utils.py index 9276a81..93c24e4 100644 --- a/app/services/results_utils.py +++ b/app/services/results_utils.py @@ -474,7 +474,7 @@ def classify_boltz_proteinfold_output( sample_id_pattern = re.escape(sample_id) if sample_id else "single_prediction" return classify_proteinfold_output_key( key, - pdb_pattern=rf"/boltz/top_ranked_structures/{sample_id_pattern}\.pdb", + pdb_pattern=rf"/boltz/top_ranked_structures/{sample_id_pattern}\.(?:cif|pdb)", # Find across all subfolders stats_pattern=rf"/boltz/{sample_id_pattern}/.+\.tsv", alignment_pattern=rf"/mmseqs/{sample_id_pattern}\.a3m", diff --git a/tests/test_services_results_utils.py b/tests/test_services_results_utils.py index de2732b..95b5e79 100644 --- a/tests/test_services_results_utils.py +++ b/tests/test_services_results_utils.py @@ -437,6 +437,9 @@ def test_boltz_proteinfold_helpers_classify_keys_and_build_prefixes(): assert classify_boltz_proteinfold_output( f"{run.id}/boltz/top_ranked_structures/T1024.pdb", "T1024" ) == ClassifiedOutput("pdb", "T1024.pdb") + assert classify_boltz_proteinfold_output( + f"{run.id}/boltz/top_ranked_structures/T1024.cif", "T1024" + ) == ClassifiedOutput("pdb", "T1024.cif") assert classify_boltz_proteinfold_output( f"{run.id}/boltz/T1024/abcd1234.tsv", "T1024" ) == ClassifiedOutput("stats_csv", "abcd1234.tsv")