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fix: add software, sequence and charge info to getTransitionFeaturesDf
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Lines changed: 3 additions & 1 deletion

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massdash/loaders/access/OSWPQResultsAccess.py

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -18,7 +18,6 @@
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# Required imports for PyArrow
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import pyarrow.dataset as ds
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import pyarrow.compute as pc
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from functools import reduce, lru_cache
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import operator
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@@ -378,6 +377,9 @@ def getTransitionGroupFeaturesDf(self, runname: str, pep: str, charge: int) -> p
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'PRECURSOR_CHARGE': 'precursor_charge',
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'MODIFIED_SEQUENCE': 'sequence'
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}, inplace=True)
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filtered_df['software'] = self.getSoftware()
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filtered_df['sequence'] = pep
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filtered_df['precursor_charge'] = charge
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return filtered_df
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