From 393a35f4c901b8264a1ac3553b88758c62f161d4 Mon Sep 17 00:00:00 2001 From: Christian Dewey Date: Fri, 23 May 2025 22:32:19 -0400 Subject: [PATCH] replaced ref to possible_formula with ref to possible_formula_obj --- corems/molecular_id/search/molecularFormulaSearch.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/corems/molecular_id/search/molecularFormulaSearch.py b/corems/molecular_id/search/molecularFormulaSearch.py index 34ff898c..33c9b54a 100644 --- a/corems/molecular_id/search/molecularFormulaSearch.py +++ b/corems/molecular_id/search/molecularFormulaSearch.py @@ -711,13 +711,13 @@ def mass_by_ion_type(possible_formula_obj): return possible_formula_obj._radical_mz(ion_charge) elif ion_type == Labels.adduct_ion and adduct_atom: - return possible_formula._adduct_mz(ion_charge, adduct_atom) + return possible_formula_obj._adduct_mz(ion_charge, adduct_atom) else: # will return externally calculated mz if is set, #use on Bruker Reference list import # if the ion type is known the ion mass based on molecular formula ion type # if ion type is unknow will return neutral mass - return possible_formula.mz_calc + return possible_formula_obj.mz_calc if formulas: if isinstance(formulas[0], LCMSLibRefMolecularFormula):