Egon Willighagen

@steinbeck, can you have a look at this? I know the idea, but never actively used HOSE codes... or know someone who is willing to check this patch?

Maybe not a bad idea (both options), but ideally the descriptors are recalculated indeed. We have a `cdk.cite` javadoc tag which was meant to allow proper documents, but we were...

@johnmay, this PR is now conflicting too :/

@johnmay, got an update?

hi @JonasSchaub, I'm sorry I dropped the ball. In my defense, I still need to write up a blog post about the CDK meeting. @johnmay, I think both utility are...

IIRC, the reason for `IAtomContainerSet` over `List

Remember, and Tim Dudgeon looked it up, the CDK was written in the time of Java 1.3!

> * Use primitive types in IAtom, i.e. atomic number and mass=0 rather than null (pre-v3.0 maybe) While "null" is not ideal, using 0 is worse, imho.

> @egonw NULL is just a different 0 :-). But yes I get you wanted to separate unset/undefined from 0. This distinction showed quite essential in the early CDK days....

Making clean modules in the CDK started a long time ago. Long before the move to Maven, in fact. I'm happy to support this. The splitting of packages over more...