CDK atoms can be in more than one connection table (this is good and bad),
in this case it's good you can just do the following:
int idx = parent.getAtomNumber(frag.getAtom(0));
If you're copying the atoms/bonds assign a unique id 1..N and just that to
do the lookup.
- John
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
Cdk-user mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/cdk-user