Fix a v. subtle issue in up/down bond handling in SMILES. It's quite …#866
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Fix a v. subtle issue in up/down bond handling in SMILES. It's quite …#866
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…a corner case but it turns out some toolkits do write records like this (found one in ChEMBL). Only happens if the bond is written on the ring open (unusual but ok) and then multiple directional bonds are written. BEAM does more in recent releases to check/ignore innconsitent behaviour allready but we can add the correct check in the BEAM2CDK conversion.
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…a corner case but it turns out some toolkits do write records like this (found one in ChEMBL). Only happens if the bond is written on the ring open (unusual but ok) and then multiple directional bonds are written. BEAM does more in recent releases to check/ignore innconsitent behaviour allready but we can add the correct check in the BEAM2CDK conversion.