public IRingSet findEssentialRings ( ) { if ( atomContainer == null ) { return null ; } IRingSet ringSet = toRingSet ( atomContainer , cycleBasis ( ) . essentialCycles ( ) ) ; // atomContainer.setProperty(CDKConstants.ESSENTIAL_RINGS, ringSet); return ringSet ; }
Finds the Set of Essential Rings . These rings are contained in every possible SSSR . The returned set is uniquely defined .