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A curious problem arises for cis trans definition of consecutive double bonds. Should the smiles be C1=CC=C(C=C1)/C=C/C=C//C2=CC=CC=C2 or C1=CC=C(C=C1)/C=C/C=C/C2=CC=CC=C2. I think commonly one symbol is used. In either case our annotation fails since the middle atom only get's assigned one classification based on the first bond
The text was updated successfully, but these errors were encountered:
If I carefully read the opensmiles syntax definition C1=CC=C(C=C1)/C=C//C=C/C2=CC=CC=C2 is invalid. / (and \) is a 'bond' token, and it's not allowed to have 2 bonds directly following eachother.
A curious problem arises for cis trans definition of consecutive double bonds. Should the smiles be
C1=CC=C(C=C1)/C=C/C=C//C2=CC=CC=C2
orC1=CC=C(C=C1)/C=C/C=C/C2=CC=CC=C2
. I think commonly one symbol is used. In either case our annotation fails since the middle atom only get's assigned one classification based on the first bondThe text was updated successfully, but these errors were encountered: