@Test public void testGetSBE() { Assert.assertEquals(12, AtomContainerManipulator.getSingleBondEquivalentSum(ac)); }
else { double bondOrderSum1 = AtomContainerManipulator.getSingleBondEquivalentSum(atomContainer1); double bondOrderSum2 = AtomContainerManipulator.getSingleBondEquivalentSum(atomContainer2); if (bondOrderSum1 > bondOrderSum2) return 1;
} else { double bondOrderSum1 = getSingleBondEquivalentSum(atomContainer1); double bondOrderSum2 = getSingleBondEquivalentSum(atomContainer2); if (bondOrderSum1 > bondOrderSum2) { return -1;
+ AtomContainerManipulator.getSingleBondEquivalentSum(getReactantMol()); countP = getProductMol().getAtomCount() + AtomContainerManipulator.getSingleBondEquivalentSum(getProductMol());