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Fix reset_error mishandling
1 parent 902e7ee commit 809d97a

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Lines changed: 2 additions & 2 deletions

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corems/molecular_id/search/molecularFormulaSearch.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -970,10 +970,10 @@ def bulk_run_molecular_formula_search(self, mass_spectrum_list, ms_peaks_list, m
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nominal_mzs = list(set([item for sublist in nominal_mzs for item in sublist]))
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verbose = self.lcms_obj.parameters.mass_spectrum[mass_spectrum_setting_key].molecular_search.verbose_processing
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# reset average error, only relevant is average mass error method is being used
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# reset average error, only relevant if average mass error method is being used
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SearchMolecularFormulaWorker(
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find_isotopologues=self.find_isotopologues
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).reset_error()
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).reset_error(mass_spectrum_list[0])
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# check database for all possible molecular formula combinations based on the setting passed to self.mass_spectrum_obj.molecular_search_settings
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classes = MolecularCombinations(self.sql_db).runworker(

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