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[pre-commit.ci] auto fixes from pre-commit hooks
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pre-commit-ci[bot] committed Nov 15, 2024
1 parent 2646cb6 commit 73312b7
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions molSimplify/Classes/mol3D.py
Original file line number Diff line number Diff line change
Expand Up @@ -6493,7 +6493,7 @@ def mol3D_to_networkx(self,get_symbols:bool=True,get_bond_order:bool=True,get_bo
data['bond_distance']=distance
g.add_edge(bond[0],bond[1],**data)
return g

def roland_combine(self, mol, catoms, bond_to_add=[], dirty=False):
"""
Combines two molecules. Each atom in the second molecule
Expand Down Expand Up @@ -6527,7 +6527,7 @@ def roland_combine(self, mol, catoms, bond_to_add=[], dirty=False):
new_bo_dict = copy.deepcopy(bo_dict)

# add ligand connections
for bo in mol.bo_dict:
for bo in mol.bo_dict:
ind1 = bo[0] + len(cmol.atoms)
ind2 = bo[1] + len(cmol.atoms)
new_bo_dict[(ind1,ind2)]=mol.bo_dict[(bo[0],bo[1])]
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