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fix check for CuttingLabel in generate_kekule_structure (squashed)
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donerancl authored and JacksonBurns committed Apr 18, 2024
1 parent 50df700 commit d1c38d3
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion rmgpy/molecule/resonance.py
Original file line number Diff line number Diff line change
Expand Up @@ -62,6 +62,7 @@
from rmgpy.molecule.graph import Vertex
from rmgpy.molecule.kekulize import kekulize
from rmgpy.molecule.molecule import Atom, Bond, Molecule
from rmgpy.molecule.fragment import CuttingLabel


def populate_resonance_algorithms(features=None):
Expand Down Expand Up @@ -827,7 +828,7 @@ def generate_kekule_structure(mol):
cython.declare(atom=Vertex, molecule=Graph)

for atom in mol.atoms:
if not isinstance(atom, Atom):
if isinstance(atom,CuttingLabel):
continue
if atom.atomtype.label == 'Cb' or atom.atomtype.label == 'Cbf':
break
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