On Thu, Jun 18, 2009 at 10:45 AM, Evgueni Kolossov<[email protected]> wrote: > Hi Greg, > > Is there any way to get for the same ring both vectors (atoms and bonds)? > Or I need to get bondRings and actually re-create atomRings vector for this > ring from the bonds?
It's probably easiest to use the atomRings and retrieve the bonds with mol.getBondBetweenAtoms(). If you look in the function StoreRingInfo() in $RDBASE/Code/GraphMol/FindRings.cpp you'll see that the bond list is built from the atom list and that these are added to the RingInfo data structure at the same time. -greg
