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remove print
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fgrunewald committed Oct 8, 2024
1 parent 431b988 commit 7370d54
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1 change: 0 additions & 1 deletion cgsmiles/read_fragments.py
Original file line number Diff line number Diff line change
Expand Up @@ -245,7 +245,6 @@ def fragment_iter(fragment_str, all_atom=True):
ez_isomer_class = {idx: val[-1] for idx, val in ez_isomers.items()}
nx.set_node_attributes(mol_graph, ez_isomer_atoms, 'ez_isomer_atoms')
nx.set_node_attributes(mol_graph, ez_isomer_class, 'ez_isomer_class')
print("hcount", mol_graph.nodes(data='hcount'))
# we deal with a CG resolution graph
else:
mol_graph = read_cgsmiles(smile)
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