コード例 #1
0
        public void TestChemObject_IChemObject()
        {
            IChemObject chemObject1 = new ChemObject();
            IChemObject chemObject  = new ChemObject(chemObject1);

            Assert.IsNotNull(chemObject);
        }
コード例 #2
0
        public virtual void TestAtomContainer_IAtomContainer()
        {
            IAtomContainer acetone = new ChemObject().Builder.NewAtomContainer();
            IAtom          c1      = acetone.Builder.NewAtom("C");
            IAtom          c2      = acetone.Builder.NewAtom("C");
            IAtom          o       = acetone.Builder.NewAtom("O");
            IAtom          c3      = acetone.Builder.NewAtom("C");

            acetone.Atoms.Add(c1);
            acetone.Atoms.Add(c2);
            acetone.Atoms.Add(c3);
            acetone.Atoms.Add(o);
            IBond b1 = acetone.Builder.NewBond(c1, c2, BondOrder.Single);
            IBond b2 = acetone.Builder.NewBond(c1, o, BondOrder.Double);
            IBond b3 = acetone.Builder.NewBond(c1, c3, BondOrder.Single);

            acetone.Bonds.Add(b1);
            acetone.Bonds.Add(b2);
            acetone.Bonds.Add(b3);

            IAtomContainer container = new AtomContainer(acetone);

            Assert.AreEqual(4, container.Atoms.Count);
            Assert.AreEqual(3, container.Bonds.Count);
        }
コード例 #3
0
        public void TestMarkWithWarning_IChemObject()
        {
            IChemObject obj = new ChemObject();

            Assert.IsNull(obj.GetProperty <bool?>(ProblemMarker.WarningMarker));
            ProblemMarker.MarkWithWarning(obj);
            Assert.IsNotNull(obj.GetProperty <bool?>(ProblemMarker.WarningMarker));
        }
コード例 #4
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        public void TestMarkWithError_IChemObject()
        {
            IChemObject obj = new ChemObject();

            Assert.IsNull(obj.GetProperty <bool?>(ProblemMarker.ErrorMarker));
            ProblemMarker.MarkWithError(obj);
            Assert.IsNotNull(obj.GetProperty <bool?>(ProblemMarker.ErrorMarker));
        }
コード例 #5
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        public void TestChemObject()
        {
            IChemObject chemObject = new ChemObject();

            Assert.IsNotNull(chemObject);
            string value = chemObject.GetProperty <string>("hello");

            Assert.IsNull(value);
        }
コード例 #6
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        public void CompareDifferent()
        {
            ChemObject co1 = new ChemObject();
            ChemObject co2 = new ChemObject();

            co1.Id = "a1";
            co2.Id = "a2";
            Assert.IsFalse(co1.Compare(co2));
        }
コード例 #7
0
        public void Compare()
        {
            ChemObject co1 = new ChemObject();
            ChemObject co2 = new ChemObject();

            co1.Id = "a1";
            co2.Id = "a1";
            Assert.IsTrue(co1.Compare(co2));
        }