public void TestC7H16Isomers() { IAtomContainer c7H16A = AbstractSignatureTest.MakeC7H16A(); IAtomContainer c7H16B = AbstractSignatureTest.MakeC7H16B(); IAtomContainer c7H16C = AbstractSignatureTest.MakeC7H16C(); SignatureQuotientGraph qGraphA = new SignatureQuotientGraph(c7H16A, 1); SignatureQuotientGraph qGraphB = new SignatureQuotientGraph(c7H16B, 1); SignatureQuotientGraph qGraphC = new SignatureQuotientGraph(c7H16C, 1); CheckParameters(qGraphA, 4, 7, 1); CheckParameters(qGraphB, 4, 5, 0); CheckParameters(qGraphC, 4, 7, 1); }