public void TestChemObject_IChemObject()
{
IChemObject chemObject1 = new ChemObject();
IChemObject chemObject = new ChemObject(chemObject1);
Assert.IsNotNull(chemObject);
}
public virtual void TestAtomContainer_IAtomContainer()
{
IAtomContainer acetone = new ChemObject().Builder.NewAtomContainer();
IAtom c1 = acetone.Builder.NewAtom("C");
IAtom c2 = acetone.Builder.NewAtom("C");
IAtom o = acetone.Builder.NewAtom("O");
IAtom c3 = acetone.Builder.NewAtom("C");
acetone.Atoms.Add(c1);
acetone.Atoms.Add(c2);
acetone.Atoms.Add(c3);
acetone.Atoms.Add(o);
IBond b1 = acetone.Builder.NewBond(c1, c2, BondOrder.Single);
IBond b2 = acetone.Builder.NewBond(c1, o, BondOrder.Double);
IBond b3 = acetone.Builder.NewBond(c1, c3, BondOrder.Single);
acetone.Bonds.Add(b1);
acetone.Bonds.Add(b2);
acetone.Bonds.Add(b3);
IAtomContainer container = new AtomContainer(acetone);
Assert.AreEqual(4, container.Atoms.Count);
Assert.AreEqual(3, container.Bonds.Count);
}
public void CompareDifferent()
{
ChemObject co1 = new ChemObject();
ChemObject co2 = new ChemObject();
co1.Id = "a1";
co2.Id = "a2";
Assert.IsFalse(co1.Compare(co2));
}
public void Compare()
{
ChemObject co1 = new ChemObject();
ChemObject co2 = new ChemObject();
co1.Id = "a1";
co2.Id = "a1";
Assert.IsTrue(co1.Compare(co2));
}
public void TestChemObject()
{
IChemObject chemObject = new ChemObject();
Assert.IsNotNull(chemObject);
string value = chemObject.GetProperty <string>("hello");
Assert.IsNull(value);
}
public virtual void OnStateChanged(ChemObjectChangeEventArgs evt)
{
ChangedObject = (ChemObject)evt.Source;
}