public override void TestToString()
{
IAminoAcid m = (IAminoAcid)NewChemObject();
IAtom nTerminus = m.Builder.NewAtom("N");
m.AddNTerminus(nTerminus);
string description = m.ToString();
for (int i = 0; i < description.Length; i++)
{
Assert.IsTrue('\n' != description[i]);
Assert.IsTrue('\r' != description[i]);
}
m = (IAminoAcid)NewChemObject();
IAtom cTerminus = m.Builder.NewAtom("C");
m.AddCTerminus(cTerminus);
description = m.ToString();
for (int i = 0; i < description.Length; i++)
{
Assert.IsTrue('\n' != description[i]);
Assert.IsTrue('\r' != description[i]);
}
}
public virtual void TestAddCTerminus_IAtom()
{
IAminoAcid m = (IAminoAcid)NewChemObject();
IAtom cTerminus = m.Builder.NewAtom("C");
m.AddCTerminus(cTerminus);
Assert.AreEqual(cTerminus, m.CTerminus);
}
public void TestRemoveAcidicOxygen_IAminoAcid()
{
IAminoAcid glycine = builder.NewAminoAcid();
glycine.Add(CDK.SmilesParser.ParseSmiles("C(C(=O)O)N"));
Assert.AreEqual(5, glycine.Atoms.Count);
glycine.AddCTerminus(glycine.Atoms[1]);
AminoAcidManipulator.RemoveAcidicOxygen(glycine);
Assert.AreEqual(4, glycine.Atoms.Count);
}
public void TestAddAcidicOxygen_IAminoAcid()
{
// FIXME: I think this is the proper test, but it currently fails
IAminoAcid glycine = builder.NewAminoAcid();
glycine.Add(CDK.SmilesParser.ParseSmiles("C(C=O)N"));
Assert.AreEqual(4, glycine.Atoms.Count);
glycine.AddCTerminus(glycine.Atoms[1]);
AminoAcidManipulator.AddAcidicOxygen(glycine);
Assert.AreEqual(5, glycine.Atoms.Count);
}
public override void TestClone()
{
IAminoAcid aa = (IAminoAcid)NewChemObject();
object clone = aa.Clone();
Assert.IsTrue(clone is IAminoAcid);
Assert.AreNotSame(aa, clone);
aa = (IAminoAcid)NewChemObject();
IAtom nTerminus = aa.Builder.NewAtom("N");
aa.AddNTerminus(nTerminus);
clone = aa.Clone();
Assert.IsTrue(clone is IAminoAcid);
Assert.AreNotSame(aa, clone);
aa = (IAminoAcid)NewChemObject();
IAtom cTerminus = aa.Builder.NewAtom("C");
aa.AddCTerminus(cTerminus);
clone = aa.Clone();
Assert.IsTrue(clone is IAminoAcid);
Assert.AreNotSame(aa, clone);
}
