public void TestIOPropPropagation()
{
IAtomContainer mol = TestMoleculeFactory.MakeBenzene();
foreach (var atom in mol.Atoms)
{
atom.IsAromatic = true;
}
foreach (var bond in mol.Bonds)
{
bond.IsAromatic = true;
}
StringWriter strWriter = new StringWriter();
SDFWriter writer = new SDFWriter(strWriter);
var sdfWriterProps = new NameValueCollection();
sdfWriterProps["WriteAromaticBondTypes"] = "true";
writer.Listeners.Add(new PropertiesListener(sdfWriterProps));
writer.CustomizeJob();
writer.Write(mol);
writer.Close();
string output = strWriter.ToString();
Assert.IsTrue(output.Contains("4 0 0 0 0"));
}
public void TestWrite_IAtomContainerSet_Properties_Off()
{
StringWriter writer = new StringWriter();
IChemObjectSet <IAtomContainer> molSet = new ChemObjectSet <IAtomContainer>();
var molecule = builder.NewAtomContainer();
molecule.Atoms.Add(new Atom("C"));
molecule.SetProperty("foo", "bar");
molSet.Add(molecule);
SDFWriter sdfWriter = new SDFWriter(writer);
var sdfWriterProps = new NameValueCollection();
sdfWriterProps["writeProperties"] = "false";
sdfWriter.Listeners.Add(new PropertiesListener(sdfWriterProps));
sdfWriter.CustomizeJob();
sdfWriter.Write(molSet);
sdfWriter.Close();
string result = writer.ToString();
Assert.IsFalse(result.Contains("<foo>"));
}
