public void TestReadAtomTypes_CDK()
{
OWLAtomTypeReader reader = new OWLAtomTypeReader(new StringReader(OWL_CONTENT));
Assert.IsNotNull(reader);
var types = reader.ReadAtomTypes();
Assert.IsNotNull(types);
Assert.AreEqual(1, types.Count);
object obj = types[0];
Assert.IsNotNull(obj);
Assert.IsTrue(obj is IAtomType);
IAtomType atomType = (IAtomType)obj;
Assert.AreEqual("C", atomType.Symbol);
Assert.AreEqual("C.sp3.0", atomType.AtomTypeName);
Assert.AreEqual(0, atomType.FormalCharge.Value);
Assert.AreEqual(Hybridization.SP3, atomType.Hybridization);
Assert.AreEqual(4, atomType.FormalNeighbourCount.Value);
Assert.AreEqual(0, atomType.GetProperty <int>(CDKPropertyName.LonePairCount));
Assert.AreEqual(0, atomType.GetProperty <int>(CDKPropertyName.PiBondCount));
Assert.AreEqual(0, atomType.GetProperty <int>(CDKPropertyName.SingleElectronCount));
}
public void TestReadAtomTypes_IChemObjectBuilder()
{
OWLAtomTypeReader reader = new OWLAtomTypeReader(new StringReader(OWL_CONTENT));
Assert.IsNotNull(reader);
var types = reader.ReadAtomTypes();
Assert.IsNotNull(types);
Assert.AreEqual(1, types.Count);
}