public void TestImplicitHCountAtom()
{
var container = CreateEthane();
var builder = Silent.ChemObjectBuilder.Instance;
var query1 = new QueryAtomContainer(); // SMARTS [h3][h3]
var atom1 = new ImplicitHCountAtom(3);
var atom2 = new ImplicitHCountAtom(3);
query1.Atoms.Add(atom1);
query1.Atoms.Add(atom2);
query1.Bonds.Add(new NCDK.Isomorphisms.Matchers.OrderQueryBond(atom1, atom2, BondOrder.Single));
Assert.IsTrue(uiTester.IsSubgraph(container, query1));
}
public void TestImplicitHCountAtom2()
{
IAtomContainer container = CreateEthane();
IChemObjectBuilder builder = ChemObjectBuilder.Instance;
QueryAtomContainer query1 = new QueryAtomContainer(builder); // SMARTS [h3][h2]
var atom1 = new ImplicitHCountAtom(3, builder);
var atom2 = new ImplicitHCountAtom(2, builder);
query1.Atoms.Add(atom1);
query1.Atoms.Add(atom2);
query1.Bonds.Add(new NCDK.Isomorphisms.Matchers.OrderQueryBond(atom1, atom2, BondOrder.Single, builder));
Assert.IsFalse(uiTester.IsSubgraph(container, query1));
}
