[Cdk-devel] Stereochemistry matching with implicit hydrogens

[John M. <jo...@eb...>]

Hi all,

I’m a bit perplexed by what is correct behaviour and need your input. Consider the 3 structures below, (we’ll say 1, 2 and 3). 1 will correctly match 2 and 2 will correctly not match 3. Currently matching 1 to 3 raises an error. I know the problem but not sure whether to return true or false for the match. 

Should 1 match 3? If so it implies 2 should also match 3 (which doesn’t seem right).

Cheers,
John