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); }
public void TestAtomTypeReader_Reader() { OWLAtomTypeReader reader = new OWLAtomTypeReader(new StringReader("")); Assert.IsNotNull(reader); }