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lint with black=22
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SimonBoothroyd committed Mar 30, 2022
1 parent 5dd2216 commit cb610db
Showing 1 changed file with 12 additions and 9 deletions.
21 changes: 12 additions & 9 deletions nagl/utilities/toolkits.py
Original file line number Diff line number Diff line change
Expand Up @@ -348,14 +348,17 @@ def normalize_molecule(molecule: "Molecule", check_output: bool = True) -> "Mole
):
normal_molecule = _rd_normalize_molecule(molecule, reaction_smarts)

assert not check_output or Molecule.are_isomorphic(
molecule,
normal_molecule,
aromatic_matching=False,
formal_charge_matching=False,
bond_order_matching=False,
atom_stereochemistry_matching=False,
bond_stereochemistry_matching=False,
)[0], "normalization changed the molecule - this should not happen"
assert (
not check_output
or Molecule.are_isomorphic(
molecule,
normal_molecule,
aromatic_matching=False,
formal_charge_matching=False,
bond_order_matching=False,
atom_stereochemistry_matching=False,
bond_stereochemistry_matching=False,
)[0]
), "normalization changed the molecule - this should not happen"

return normal_molecule

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