Dear RDKitters,
I found the issue with FindAtomEnvironmentOfRadiusN but this can be a
feature. However, I did not findthis information in help and did not
expect such behavior.
If I apply FindAtomEnvironmentOfRadiusN function to a small molecule
and specify the radius greater than the size of the molecule the
function returns empty list of bond indices (and empty mol).
m = Chem.MolFromSmiles("NCO")
i = Chem.FindAtomEnvironmentOfRadiusN(m, 1, 1)
Chem.MolToSmiles(Chem.PathToSubmol(m, i))
returns "NCO"
i = Chem.FindAtomEnvironmentOfRadiusN(m, 2, 1)
Chem.MolToSmiles(Chem.PathToSubmol(m, i))
returns ""
In the latter case I expected the same output "NCO". Were my
expectations mistaken?
Kind regards,
Pavel.
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