public void partitionNonRingPartners ( IAtom atom , IRing ring , IAtomContainer ringAtoms , IAtomContainer nonRingAtoms ) { List atoms = molecule . getConnectedAtomsList ( atom ) ; for ( int i = 0 ; i < atoms . size ( ) ; i ++ ) { IAtom curAtom = ( IAtom ) atoms . get ( i ) ; if ( ! ring . contains ( curAtom ) ) { nonRingAtoms . addAtom ( curAtom ) ; } else { ringAtoms . addAtom ( curAtom ) ; } } }
Partition the bonding partners of a given atom into ring atoms and non - ring atoms