public void TestReadReactions1()
{
string filename1 = "NCDK.Data.MDL.reaction_v3.rxn";
Trace.TraceInformation("Testing: " + filename1);
var ins1 = ResourceLoader.GetAsStream(filename1);
MDLRXNV3000Reader reader1 = new MDLRXNV3000Reader(ins1, ChemObjectReaderMode.Strict);
IReaction reaction1 = new Reaction();
reaction1 = (IReaction)reader1.Read(reaction1);
reader1.Close();
Assert.IsNotNull(reaction1);
Assert.AreEqual(1, reaction1.Reactants.Count);
Assert.AreEqual(1, reaction1.Products.Count);
IAtomContainer reactant = reaction1.Reactants[0];
Assert.IsNotNull(reactant);
Assert.AreEqual(32, reactant.Atoms.Count);
Assert.AreEqual(29, reactant.Bonds.Count);
IAtomContainer product = reaction1.Products[0];
Assert.IsNotNull(product);
Assert.AreEqual(32, product.Atoms.Count);
Assert.AreEqual(29, product.Bonds.Count);
}
public void TestAccepts()
{
MDLRXNV3000Reader reader = new MDLRXNV3000Reader(new StringReader(""));
Assert.IsTrue(reader.Accepts(typeof(ChemModel)));
Assert.IsTrue(reader.Accepts(typeof(Reaction)));
}
