public void TestCompareIdentity() { var ligand = new Ligand(molecule, new VisitedAtoms(), molecule.Atoms[1], molecule.Atoms[0]); var rule = new CombinedAtomicMassNumberRule(); Assert.AreEqual(0, rule.Compare(ligand, ligand)); }
public void TestCompare() { var ligand1 = new Ligand(molecule, new VisitedAtoms(), molecule.Atoms[1], molecule.Atoms[0]); var ligand2 = new Ligand(molecule, new VisitedAtoms(), molecule.Atoms[1], molecule.Atoms[2]); var rule = new CombinedAtomicMassNumberRule(); Assert.AreEqual(-1, rule.Compare(ligand1, ligand2)); Assert.AreEqual(1, rule.Compare(ligand2, ligand1)); }