public void TestPropellane()
{
IAtomContainer propellane = AbstractSignatureTest.MakePropellane();
SignatureQuotientGraph qGraph = new SignatureQuotientGraph(propellane);
CheckParameters(qGraph, 2, 2, 1);
}
public void TestPropellane()
{
string expectedA = "[C]([C]([C,0])[C]([C,0])[C]([C,0])[C,0])";
string expectedB = "[C]([C]([C,2][C,1][C,0])[C,2]([C,1][C,0]))";
IAtomContainer mol = AbstractSignatureTest.MakePropellane();
string signature = this.CanonicalStringFromMolecule(mol);
Assert.AreEqual(expectedA, signature);
string fullExpected = "2" + expectedA + " + 3" + expectedB;
string fullSignature = FullStringFromMolecule(mol);
Assert.AreEqual(fullExpected, fullSignature);
}
