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Program crashes if rdkit cannot parse some molecules in sdf file #23

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lbabetto opened this issue Apr 27, 2022 · 1 comment
Open

Program crashes if rdkit cannot parse some molecules in sdf file #23

lbabetto opened this issue Apr 27, 2022 · 1 comment
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Program stops if rdkit cannot produce a mol file from a sdf library, triggering the ValueError exception in the Compound initialization phase.

We should consider adding a generic try/except in the Library.read() method or specifically work around this issue at initialization of the Compound object.
@lbabetto lbabetto added the bug Something isn't working label Apr 27, 2022
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IS23-MRE.zip

Added MRE for this bug

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23-program-crashes-if-rdkit-cannot-parse-some-molecules-in-sdf-file lbabetto/pubchem-tools
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