Dear all, I am trying to catch an error every time that a smiles associated to a mol object does not exist. To do this, I want to use sanitize function: if the smiles is incorrect I will get my error. My smiles with explicit hydrogens is the next one: [H]C([H])O
I want it to provide an error since valences do not match the ones specified for Carbon and Oxygen beingHydrogens already explicit: C_val = 4 ; O_val = 2 However, sanitizing this object creates automatically the missing Hydrogens providing a valid smiles: [H]OC([H])([H])[H] and therefore it assumes the smiles is correct. Is there any way to specify that my Hydrogens are already explicit during sanitazion so I get my error message? Thank you so much :) Best regards, Pablo Ramos Ph.D. at Covestro Deutschland AG [cid:image003.png@01D627A1.2B0B0A10] covestro.com<http://www.covestro.com/> Telephone +49 214 6009 7356 Covestro Deutschland AG COVDEAG-Chief Commer-PUR-R&D-EMEA-PMD B103, R164 51365 Leverkusen, Germany pablo.ra...@covestro.com
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