public void MakeEdgeTest_tripleBond()
{
MoleculeFromSignatureBuilder builder = new MoleculeFromSignatureBuilder(CDK.Builder);
builder.MakeGraph();
builder.MakeVertex("C");
builder.MakeVertex("C");
builder.MakeEdge(0, 1, "C", "C", "#");
IAtomContainer product = builder.GetAtomContainer();
Assert.AreEqual(2, product.Atoms.Count);
Assert.AreEqual(1, product.Bonds.Count);
Assert.AreEqual(BondOrder.Triple, product.Bonds[0].Order);
}
public void MakeEdgeTest_aromaticBond()
{
MoleculeFromSignatureBuilder builder = new MoleculeFromSignatureBuilder(CDK.Builder);
builder.MakeGraph();
builder.MakeVertex("C");
builder.MakeVertex("C");
builder.MakeEdge(0, 1, "C", "C", "p");
IAtomContainer product = builder.GetAtomContainer();
Assert.AreEqual(2, product.Atoms.Count);
Assert.AreEqual(1, product.Bonds.Count);
IBond bond = product.Bonds[0];
Assert.AreEqual(BondOrder.Single, bond.Order);
Assert.IsTrue(bond.IsAromatic);
}
