public void TestBasicInvariantsPhenol()
{
var m = Smi("OC1=CC=CC=C1");
long[] exp = new long[] { 541697, 836352, 819969, 819969, 819969, 819969, 819969 };
long[] act = Canon.BasicInvariants(m, ToAdjList(m));
Assert.IsTrue(Compares.AreEqual(exp, act));
}
public void TestBasicInvariants_ethanol()
{
var m = Smi("CCO");
long[] exp = new long[] { 1065731, 1082114, 541697 };
long[] act = Canon.BasicInvariants(m, ToAdjList(m));
Assert.IsTrue(Compares.AreEqual(exp, act));
}
