public void TestMethanol()
{
var filename = "NCDK.Data.CTX.methanol_with_descriptors.ctx";
Trace.TraceInformation("Testing: " + filename);
var ins = ResourceLoader.GetAsStream(filename);
var reader = new CTXReader(ins);
var chemFile = reader.Read(builder.NewChemFile());
reader.Close();
Assert.IsNotNull(chemFile);
Assert.AreEqual(1, chemFile.Count);
var seq = chemFile[0];
Assert.IsNotNull(seq);
Assert.AreEqual(1, seq.Count);
var model = seq[0];
Assert.IsNotNull(model);
var moleculeSet = model.MoleculeSet;
Assert.IsNotNull(moleculeSet);
Assert.AreEqual(1, moleculeSet.Count);
var container = moleculeSet[0];
Assert.IsNotNull(container);
Assert.AreEqual(6, container.Atoms.Count, "Incorrect atom count.");
Assert.AreEqual(5, container.Bonds.Count);
Assert.AreEqual("Petra", container.Id);
Assert.IsNotNull(container.Title);
Assert.AreEqual("CH4O", container.Title);
}
public void TestAccepts()
{
var reader = new CTXReader(new StringReader(""));
Assert.IsTrue(reader.Accepts(typeof(IChemFile)));
}