public void TestPossibleAtomTypes_IAtomContainer_IAtom()
{
var mol = builder.NewAtomContainer();
var atom = builder.NewAtom("C");
atom.ImplicitHydrogenCount = 3;
var atom2 = builder.NewAtom("N");
atom.ImplicitHydrogenCount = 2;
mol.Atoms.Add(atom);
mol.Atoms.Add(atom2);
mol.Bonds.Add(builder.NewBond(atom, atom2, BondOrder.Single));
StructGenAtomTypeGuesser atm = new StructGenAtomTypeGuesser();
var matched = atm.PossibleAtomTypes(mol, atom);
Assert.IsNotNull(matched);
Assert.IsTrue(matched.Count() > 0);
Assert.IsTrue(matched.ElementAt(0) is IAtomType);
Assert.AreEqual("C", ((IAtomType)matched.ElementAt(0)).Symbol);
}
public void TestStructGenAtomTypeGuesser()
{
StructGenAtomTypeGuesser matcher = new StructGenAtomTypeGuesser();
Assert.IsNotNull(matcher);
}
