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 override void TestClone()
{
IPolymer polymer = (IPolymer)NewChemObject();
object clone = polymer.Clone();
Assert.IsTrue(clone is IPolymer);
}
public override void TestToString()
{
IPolymer polymer = (IPolymer)NewChemObject();
IMonomer oMono1 = polymer.Builder.NewMonomer();
oMono1.MonomerName = "TRP279";
IMonomer oMono2 = polymer.Builder.NewMonomer();
oMono2.MonomerName = "HOH";
IAtom oAtom2 = polymer.Builder.NewAtom("C");
IAtom oAtom3 = polymer.Builder.NewAtom("C");
polymer.AddAtom(oAtom2, oMono1);
polymer.AddAtom(oAtom3, oMono2);
IDictionary <string, IMonomer> monomers = new Dictionary <string, IMonomer>
{
{ "TRP279", oMono1 },
{ "HOH", oMono2 }
};
string description = polymer.ToString();
for (int i = 0; i < description.Length; i++)
{
Assert.IsTrue('\n' != description[i]);
Assert.IsTrue('\r' != description[i]);
}
}
public virtual void TestGetMonomerNames()
{
IPolymer oPolymer = (IPolymer)NewChemObject();
Assert.AreEqual(0, oPolymer.GetMonomerNames().Count());
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.Atoms.Add(oAtom1);
oPolymer.AddAtom(oAtom2, oMono1);
oPolymer.AddAtom(oAtom3, oMono2);
IDictionary <string, IMonomer> monomers = new Dictionary <string, IMonomer>
{
//IMonomer oMon = Builder.NewMonomer();
{ "TRP279", oMono1 },
{ "HOH", oMono2 }
};
Assert.AreEqual(2, oPolymer.GetMonomerNames().Count());
Assert.IsTrue(oPolymer.GetMonomerNames().Contains(oMono1.MonomerName));
Assert.IsTrue(oPolymer.GetMonomerNames().Contains(oMono2.MonomerName));
Assert.IsTrue(Compares.AreDeepEqual(monomers.Keys, oPolymer.GetMonomerNames()));
}
public void TestNewPolymer()
{
IChemObjectBuilder builder = RootObject.Builder;
IPolymer polymer = builder.NewPolymer();
Assert.IsNotNull(polymer);
}
public override void TestAddAtom_IAtom()
{
IPolymer oPolymer = (IPolymer)NewChemObject();
IAtom oAtom1 = oPolymer.Builder.NewAtom("C");
IAtom oAtom2 = oPolymer.Builder.NewAtom("C");
oPolymer.Atoms.Add(oAtom1);
oPolymer.Atoms.Add(oAtom2);
Assert.AreEqual(2, oPolymer.Atoms.Count);
Assert.AreEqual(0, oPolymer.GetMonomerMap().Count());
}
public virtual void TestRemoveMonomer_String()
{
IPolymer oPolymer = (IPolymer)NewChemObject();
IMonomer oMono1 = oPolymer.Builder.NewMonomer();
oMono1.MonomerName = "TRP279";
IAtom oAtom1 = oPolymer.Builder.NewAtom("C");
oPolymer.AddAtom(oAtom1, oMono1);
Assert.IsTrue(oPolymer.GetMonomerNames().Contains(oMono1.MonomerName));
Assert.AreEqual(1, oPolymer.Atoms.Count);
oPolymer.RemoveMonomer("TRP279");
Assert.IsFalse(oPolymer.GetMonomerNames().Contains(oMono1.MonomerName));
Assert.AreEqual(0, oPolymer.Atoms.Count);
}
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"));
}
public virtual void TestGetMonomerCount()
{
IPolymer oPolymer = (IPolymer)NewChemObject();
Assert.AreEqual(0, oPolymer.GetMonomerMap().Count());
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.Atoms.Add(oAtom1);
oPolymer.AddAtom(oAtom2, oMono1);
oPolymer.AddAtom(oAtom3, oMono2);
Assert.AreEqual(3, oPolymer.Atoms.Count);
Assert.AreEqual(2, oPolymer.GetMonomerMap().Count());
}