Yes, the radius is a number of bonds.
I'm not going to argue that this is particularly intuitive (since I can
fall either way on the question), but I would say that it's consistent: the
environment is provided as a list of bond ids and the function is
documented to "find bond subgraphs of a
I guessed why it occurred. I'm interested is it expected behavior?
So, if a radius is greater than the number of available bonds in all
directions from the rooted atom the function will return empty list as
it considers that such environment does not exist. Is this a correct
expectation?
Hello,
The atom numbers start with 0. From the middle atom, there are no
environments with radius 2. You will get a result if you use the first (=0)
or the last (=2) atom. Try this:
m = Chem.MolFromSmiles("NCO")
i = Chem.FindAtomEnvironmentOfRadiusN(m, 1, 0)
Chem.MolToSmiles(Chem.PathToSubmol(m,
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
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