Skip to content

replaced ref to possible_formula with ref to possible_formula_obj #24

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Open
wants to merge 1 commit into
base: master
Choose a base branch
from
Open

replaced ref to possible_formula with ref to possible_formula_obj #24

Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
4 changes: 2 additions & 2 deletions corems/molecular_id/search/molecularFormulaSearch.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -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):
Expand Down