SSSRFinder { public IRingSet findEssentialRings() { if (atomContainer == null) { return null; } IRingSet ringSet = toRingSet(atomContainer, cycleBasis().essentialCycles()); return ringSet; } SSSRFinder(IAtomContainer container); IRingSet findSSSR(); IRingSet findEssentialRings(); IRingSet findRelevantRings(); List findEquivalenceClasses(); int[] getSSSRWeightVector(); int[] getEquivalenceClassesSizeVector();  }
@Test public void testBuckyballEssentialRings() throws Exception { IAtomContainer buckyball = createBuckyBall(); IRingSet ringSetEssential = new SSSRFinder(buckyball).findEssentialRings(); ringCount(ringSetEssential, 6, 0); ringCount(ringSetEssential, 5, 12); Assert.assertFalse("Duplicate rings exist", checkForDuplicateRingsInSet(ringSetEssential)); }