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Bug on icml18-jtnn/fast_jtnn/chemutils.py", line 324, in check_aroma #39

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huangwb opened this issue Apr 8, 2019 · 1 comment

huangwb commented Apr 8, 2019

Erro comes:
“ if len(benzynes) + len(penzynes) == 0:
NameError: name 'benzynes' is not defined
”
So I go to Line 324 and check the codes nearby

aenzynes = [get_nid(node) for node in nei_nodes + [ctr_node] if node.smiles in Vocab.benzynes]

It seems that aenzynes should be benzynes

Owner

wengong-jin commented Apr 10, 2019

Hi,

I didn't find the line aenzynes in fast_jtnn/chemutils.py. Could you pull the latest version from github?

Wengong

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