Exemple #1
0
        public void TestIsUnplacedHeavyAtom()
        {
            var          ac       = MakeMethaneWithExplicitHydrogens();
            var          carbon   = ac.Atoms[0];
            var          hydrogen = ac.Atoms[1];
            AtomPlacer3D placer   = new AtomPlacer3D();

            bool result = false;

            result = placer.IsUnplacedHeavyAtom(carbon);
            Assert.IsTrue(result);
            result = placer.IsUnplacedHeavyAtom(hydrogen);
            Assert.IsFalse(result);

            carbon.IsPlaced = true;
            result          = placer.IsUnplacedHeavyAtom(carbon);
            Assert.IsFalse(result);
            hydrogen.IsPlaced = true;
            result            = placer.IsUnplacedHeavyAtom(hydrogen);
            Assert.IsFalse(result);
        }