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1 parent 49f8d1a commit c529daeCopy full SHA for c529dae
src/Parse.jl
@@ -169,16 +169,11 @@ function getatomdictadjlist(adjlist)
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_ , cutting_label_list = fragment.Fragment().detect_cutting_label(adjlist)
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if isempty(cutting_label_list)
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mol = molecule.Molecule().from_adjacency_list(adjlist)
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+ getatomdictfromrmg(mol)
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else
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mol = fragment.Fragment().from_adjacency_list(adjlist)
- end
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- if pybuiltin(:isinstance)(mol, molecule.Molecule)
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- getatomdictfromrmg(mol)
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- elseif pybuiltin(:isinstance)(mol, fragment.Fragment)
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mol.assign_representative_molecule()
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getatomdictfromrmg(mol.mol_repr)
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- else
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- @error("Unrecognizable molecule type $mol")
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end
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export getatomdictadjlist
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