diff --git a/src/aposteriori/data_prep/cli.py b/src/aposteriori/data_prep/cli.py index 4d1ee50..4b5f67d 100644 --- a/src/aposteriori/data_prep/cli.py +++ b/src/aposteriori/data_prep/cli.py @@ -113,7 +113,18 @@ @click.option( "-ae", "--atom_encoder", - type=click.Choice(["CNO", "CNOCB", "CNOCACB", "CNOCBCA", "CNOCACBQ", "CNOCBCAQ", "CNOCACBP", "CNOCBCAP"]), + type=click.Choice( + [ + "CNO", + "CNOCB", + "CNOCACB", + "CNOCBCA", + "CNOCACBQ", + "CNOCBCAQ", + "CNOCACBP", + "CNOCBCAP", + ] + ), default="CNO", required=True, help=( @@ -269,14 +280,14 @@ def cli( "CNOCB": Codec.CNOCB, "CNOCACB": Codec.CNOCACB, "CNOCACBQ": Codec.CNOCACBQ, - "CNOCACBP": Codec.CNOCACBP + "CNOCACBP": Codec.CNOCACBP, } # List of deprecated encodings and their replacements deprecated_encodings = { "CNOCBCA": "CNOCACB", "CNOCBCAQ": "CNOCACBQ", - "CNOCBCAP": "CNOCACBP" + "CNOCBCAP": "CNOCACBP", } # Create Codec based on atom_encoder @@ -285,8 +296,10 @@ def cli( elif atom_encoder in deprecated_encodings: replacement = deprecated_encodings[atom_encoder] codec = current_codec_mapping[replacement]() - warnings.warn(f"{atom_encoder} encoding is deprecated and will be removed in future versions, " - f"atoms will be encoded as {replacement}") + warnings.warn( + f"{atom_encoder} encoding is deprecated and will be removed in future versions, " + f"atoms will be encoded as {replacement}" + ) make_frame_dataset( structure_files=structure_files,