public virtual void TestIsExpanded()
{
IFragmentAtom a = (IFragmentAtom)NewChemObject();
Assert.IsNotNull(a);
Assert.IsFalse(a.IsExpanded); // test the default state
}
public void TestNewFragmentAtom()
{
IChemObjectBuilder builder = RootObject.Builder;
IFragmentAtom fragAtom = builder.NewFragmentAtom();
Assert.IsNotNull(fragAtom);
}
public virtual void TestGetFragment()
{
IFragmentAtom a = (IFragmentAtom)NewChemObject();
// make sure that we start with a not-null, but empty container
Assert.IsNotNull(a.Fragment);
Assert.AreEqual(0, a.Fragment.Atoms.Count);
Assert.AreEqual(0, a.Fragment.Bonds.Count);
}
public virtual void TestSetExpanded_bool()
{
IFragmentAtom a = (IFragmentAtom)NewChemObject();
Assert.IsNotNull(a);
a.IsExpanded = true;
Assert.IsTrue(a.IsExpanded);
a.IsExpanded = false;
Assert.IsFalse(a.IsExpanded);
}
public override void TestToString()
{
IFragmentAtom bond = (IFragmentAtom)NewChemObject();
string description = bond.ToString();
for (int i = 0; i < description.Length; i++)
{
Assert.IsTrue(description[i] != '\n');
Assert.IsTrue(description[i] != '\r');
}
}
public virtual void TestSetFragment_IAtomContainer()
{
IFragmentAtom a = (IFragmentAtom)NewChemObject();
Assert.IsNotNull(a);
IAtomContainer container = a.Builder.NewAtomContainer();
container.Atoms.Add(a.Builder.NewAtom("N"));
container.Atoms.Add(a.Builder.NewAtom("C"));
container.AddBond(container.Atoms[0], container.Atoms[1], BondOrder.Triple);
a.Fragment = container;
Assert.AreEqual(container, a.Fragment);
}
public override void TestGetExactMass()
{
IFragmentAtom a = (IFragmentAtom)NewChemObject();
Assert.IsNotNull(a);
IAtomContainer container = a.Builder.NewAtomContainer();
container.Atoms.Add(a.Builder.NewAtom("N"));
container.Atoms[0].ExactMass = 5.5;
container.Atoms.Add(a.Builder.NewAtom("C"));
container.Atoms[1].ExactMass = 3.5;
container.AddBond(container.Atoms[0], container.Atoms[1], BondOrder.Triple);
a.Fragment = container;
Assert.AreEqual(9.0, a.ExactMass.Value, 0.0001);
}
