diff --git a/spectrum_fundamentals/metrics/percolator.py b/spectrum_fundamentals/metrics/percolator.py index 62c3953..72f22ef 100644 --- a/spectrum_fundamentals/metrics/percolator.py +++ b/spectrum_fundamentals/metrics/percolator.py @@ -51,13 +51,13 @@ def __init__( self, metadata: pd.DataFrame, input_type: str, - additional_columns: Optional[Union[str, list]] = None, pred_intensities: Optional[Union[np.ndarray, scipy.sparse.csr_matrix]] = None, true_intensities: Optional[Union[np.ndarray, scipy.sparse.csr_matrix]] = None, mz: Optional[Union[np.ndarray, scipy.sparse.csr_matrix]] = None, all_features_flag: bool = False, regression_method: str = "lowess", fdr_cutoff: float = 0.01, + additional_columns: Optional[Union[str, list]] = None, ): """Initialize a Percolator obj.""" self.metadata = metadata @@ -503,6 +503,7 @@ def calc(self): ) else: + self.add_additional_features() self.metrics_val["andromeda"] = self.metadata["SCORE"] self.add_percolator_metadata_columns()