C# (CSharp) NCDK.Modelings.Builder3D AtomPlacer3D.IsAliphaticHeavyAtom Examples

Example #1

File: AtomPlacer3DTest.cs Project: roddickchen/NCDK

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

            bool result = false;

            result = placer.IsAliphaticHeavyAtom(carbon);
            Assert.IsFalse(result);
            result = placer.IsAliphaticHeavyAtom(hydrogen);
            Assert.IsFalse(result);

            carbon.IsAliphatic = true;
            result             = placer.IsAliphaticHeavyAtom(carbon);
            Assert.IsTrue(result);
            hydrogen.IsAliphatic = true;
            result = placer.IsAliphaticHeavyAtom(hydrogen);
            Assert.IsFalse(result);
        }