From 43a1a2a4f3a1ff737448e7a68538092a187945a7 Mon Sep 17 00:00:00 2001 From: rodvrees Date: Tue, 19 Nov 2024 15:47:21 +0100 Subject: [PATCH] provide ion mobility argument to predict_ccs --- ms2pip/_utils/ion_mobility.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/ms2pip/_utils/ion_mobility.py b/ms2pip/_utils/ion_mobility.py index 8a3764b..7dceb9f 100644 --- a/ms2pip/_utils/ion_mobility.py +++ b/ms2pip/_utils/ion_mobility.py @@ -9,7 +9,7 @@ class IonMobility: - """Predict ion mobility using IM²Deep.""" + """Predict ion mobility using IM2Deep.""" def __init__(self, processes=1) -> None: # Lazy import to avoid loading loading heavy dependencies when not needed @@ -27,6 +27,6 @@ def add_im_predictions(self, psm_list: PSMList) -> None: """Add ion mobility predictions to the PSMList.""" logger.info("Predicting ion mobility...") predictions: pd.Series = self.predict_fn( - psm_list, write_output=False, n_jobs=self.processes + psm_list, write_output=False, n_jobs=self.processes, ion_mobility=True ) psm_list["ion_mobility"] = predictions.values