@Test public void octahedralTest() { IAtom atomA = new Atom("C", new Point3d(2, 2, 2)); // axis point 1 IAtom atomB = new Atom("C", new Point3d(2, 2, 1)); // center of plane IAtom atomC = new Atom("C", new Point3d(1, 3, 1)); IAtom atomD = new Atom("C", new Point3d(3, 3, 1)); IAtom atomE = new Atom("C", new Point3d(3, 1, 1)); IAtom atomF = new Atom("C", new Point3d(1, 3, 1)); IAtom atomG = new Atom("C", new Point3d(2, 2, 0)); // axis point 2 Assert.assertTrue(StereoTool.isOctahedral(atomA, atomB, atomC, atomD, atomE, atomF, atomG)); }