[Rdkit-discuss] C++ MolToSmiles() not returning string
Open-Source Cheminformatics and Machine Learning
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From: Jarod Y. <jar...@ho...> - 2023-10-20 11:48:19
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Apologies for not posting code. I’m experiencing this error in a large class object and it occurs only a few times per thousand objects. In calling, RDKit::MolToSmiles() on an RWMol object (which is a member of the larger class object), sometimes it returns an empty string. However, I am able to perform other operations (e.g. in a Chemical Reaction). I am soliciting suggestions on how to approach debugging. Thanks, J |