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); }