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Description:
When feeding a None molecule to rdScaffoldNetwork.CreateScaffoldNetwork() this systemtcially ends up in asegmenation fault. Other regular molecules are processed OK.
I fully appreciate that I should have checked for proper parsing of the molecule record first, with the mol is not None, and that of course a None molecule cannot generate a valid scaffold network. However, still I would have expected to get an exception in this situation (which I could have contained within a try -except clause), and not a segmentation fault right away.
The issue is not burning, as now that I am aware of the problem, I can prevent the feeding of None molecules.
The text was updated successfully, but these errors were encountered:
In [2]: from rdkit.Chem.Scaffolds import rdScaffoldNetwork
In [3]: rdScaffoldNetwork.CreateScaffoldNetwork([None],rdScaffoldNetwork.ScaffoldNetworkParams())
crash!
Configuration:
Description:
When feeding a None molecule to rdScaffoldNetwork.CreateScaffoldNetwork() this systemtcially ends up in asegmenation fault. Other regular molecules are processed OK.
==> Segmentation fault
I fully appreciate that I should have checked for proper parsing of the molecule record first, with the mol is not None, and that of course a None molecule cannot generate a valid scaffold network. However, still I would have expected to get an exception in this situation (which I could have contained within a try -except clause), and not a segmentation fault right away.
The issue is not burning, as now that I am aware of the problem, I can prevent the feeding of None molecules.
The text was updated successfully, but these errors were encountered: