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Output IM instead of CCS in predict_library #236

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merged 2 commits into from
Nov 20, 2024
+2 −2
Merged

Output IM instead of CCS in predict_library #236

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43a1a2a
provide ion mobility argument to predict_ccs
rodvrees Nov 19, 2024
1906b45
Merge branch 'releases' into output-IM
RalfG Nov 20, 2024
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4 changes: 2 additions & 2 deletions ms2pip/_utils/ion_mobility.py
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Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand All @@ -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