public void TestMakeAtomContainer()
{
var builder = CDK.Builder;
IAtom atom = builder.NewAtom("C");
IAtom exclude = builder.NewAtom("C");
IAtom a1 = builder.NewAtom("C");
IAtom a2 = builder.NewAtom("C");
IBond[] bonds = new IBond[] { builder.NewBond(atom, exclude),
builder.NewBond(a1, a2), builder.NewBond(a1, atom),
builder.NewBond(a2, exclude) };
IAtomContainer part = FragmentUtils.MakeAtomContainer(atom, bonds, exclude);
Assert.AreEqual(3, part.Atoms.Count);
Assert.AreEqual(2, part.Bonds.Count);
Assert.IsTrue(part.Contains(atom));
Assert.IsTrue(part.Contains(a1));
Assert.IsTrue(part.Contains(a2));
Assert.IsFalse(part.Contains(exclude));
Assert.IsTrue(part.Contains(bonds[1]));
Assert.IsTrue(part.Contains(bonds[2]));
}
