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Update cgsmiles/tests/test_write_cgsmiles.py
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Co-authored-by: Peter C Kroon <[email protected]>
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fgrunewald and pckroon authored Oct 8, 2024
1 parent 7370d54 commit 116b5e9
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1 change: 1 addition & 0 deletions cgsmiles/tests/test_write_cgsmiles.py
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Expand Up @@ -62,6 +62,7 @@ def test_write_cgsmiles(input_string):
out_mol = out_resolver.molecule
assertEqualGraphs(molecule, out_mol)
out_fragments = out_resolver.fragment_dicts
assert len(fragment_dicts) == len(out_fragments)
for frag_dict, frag_dict_out in zip(fragment_dicts, out_fragments):
assert set(frag_dict_out) == set(frag_dict)
for fragname in frag_dict:
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