public void TestCompare_Null_2DCoordinates()
{
var atomContainer = builder.NewAtomContainer();
atomContainer.Atoms.Add(builder.NewAtom("N"));
var comparator = new AtomContainerComparatorBy2DCenter <IAtomContainer>();
Assert.AreEqual(0, comparator.Compare(atomContainer, atomContainer), "null 2d Coords<-> null 2d coords");
}
public void TestCompare_self_valid_2DCoordinates()
{
var atomContainer = builder.NewAtomContainer();
var atom = builder.NewAtom("N");
atom.Point2D = new Vector2(10, 10);
atomContainer.Atoms.Add(atom);
var comparator = new AtomContainerComparatorBy2DCenter <IAtomContainer>();
Assert.AreEqual(0, comparator.Compare(atomContainer, atomContainer), "self 2d Coords<-> self 2d coords");
}
public void TestCompare_plusOne()
{
var atomContainer = builder.NewAtomContainer();
var atom = builder.NewAtom("N");
atom.Point2D = new Vector2(20, 10);
atomContainer.Atoms.Add(atom);
var atomContainer2 = builder.NewAtomContainer();
var atom2 = builder.NewAtom("P");
atom2.Point2D = new Vector2(20, 5);
atomContainer2.Atoms.Add(atom2);
var comparator = new AtomContainerComparatorBy2DCenter <IAtomContainer>();
Assert.AreEqual(1, comparator.Compare(atomContainer, atomContainer2), "(20,10)<-> (20,5)");
}
public void TestCompare_Null_Null()
{
var comparator = new AtomContainerComparatorBy2DCenter <IAtomContainer>();
Assert.AreEqual(0, comparator.Compare(null, null), "null <-> null");
}
