public virtual void TestAddAtom_IAtom_IMonomer()
{
IPolymer oPolymer = (IPolymer)NewChemObject();
IMonomer oMono1 = oPolymer.Builder.NewMonomer();
oMono1.MonomerName = "TRP279";
IMonomer oMono2 = null;
IAtom oAtom1 = oPolymer.Builder.NewAtom("C");
IAtom oAtom2 = oPolymer.Builder.NewAtom("C");
IAtom oAtom3 = oPolymer.Builder.NewAtom("C");
oPolymer.Atoms.Add(oAtom1);
oPolymer.AddAtom(oAtom2, oMono1);
oPolymer.AddAtom(oAtom3, oMono2);
Assert.IsNotNull(oPolymer.Atoms[0]);
Assert.IsNotNull(oPolymer.Atoms[1]);
Assert.IsNotNull(oPolymer.Atoms[2]);
Assert.AreEqual(oAtom1, oPolymer.Atoms[0]);
Assert.AreEqual(oAtom2, oPolymer.Atoms[1]);
Assert.AreEqual(oAtom3, oPolymer.Atoms[2]);
Assert.AreEqual(3, oPolymer.Atoms.Count);
Assert.AreEqual(1, oPolymer.GetMonomer("TRP279").Atoms.Count);
Assert.AreEqual(1, oPolymer.GetMonomerMap().Count());
Assert.IsNotNull(oPolymer.GetMonomer("TRP279"));
Assert.AreEqual(oMono1, oPolymer.GetMonomer("TRP279"));
}
public virtual void TestGetMonomer_String()
{
IPolymer oPolymer = (IPolymer)NewChemObject();
IMonomer oMono1 = oPolymer.Builder.NewMonomer();
oMono1.MonomerName = "TRP279";
IMonomer oMono2 = oPolymer.Builder.NewMonomer();
oMono2.MonomerName = "HOH";
IAtom oAtom1 = oPolymer.Builder.NewAtom("C");
IAtom oAtom2 = oPolymer.Builder.NewAtom("C");
IAtom oAtom3 = oPolymer.Builder.NewAtom("C");
oPolymer.AddAtom(oAtom1, oMono1);
oPolymer.AddAtom(oAtom2, oMono1);
oPolymer.AddAtom(oAtom3, oMono2);
Assert.AreEqual(oMono1, oPolymer.GetMonomer("TRP279"));
Assert.AreEqual(oMono2, oPolymer.GetMonomer("HOH"));
Assert.IsNull(oPolymer.GetMonomer("Mek"));
}