Exemplo n.º 1
0
        public virtual void TestGetMonomer_String_String()
        {
            IBioPolymer oBioPolymer = (IBioPolymer)NewChemObject();

            IStrand oStrand1 = oBioPolymer.Builder.NewStrand();

            oStrand1.StrandName = "A";
            IStrand oStrand2 = oBioPolymer.Builder.NewStrand();

            oStrand2.StrandName = "B";
            IMonomer oMono1 = oBioPolymer.Builder.NewMonomer();

            oMono1.MonomerName = "TRP279";
            IMonomer oMono2 = oBioPolymer.Builder.NewMonomer();

            oMono2.MonomerName = "HOH";
            IAtom oAtom1 = oBioPolymer.Builder.NewAtom("C");
            IAtom oAtom2 = oBioPolymer.Builder.NewAtom("C");
            IAtom oAtom3 = oBioPolymer.Builder.NewAtom("C");

            oBioPolymer.AddAtom(oAtom1, oMono1, oStrand1);
            oBioPolymer.AddAtom(oAtom2, oMono1, oStrand1);
            oBioPolymer.AddAtom(oAtom3, oMono2, oStrand2);

            Assert.AreEqual(oMono1, oBioPolymer.GetMonomer("TRP279", "A"));
            Assert.AreEqual(oMono2, oBioPolymer.GetMonomer("HOH", "B"));
        }
Exemplo n.º 2
0
        public virtual void TestAddAtom_IAtom_IMonomer_IStrand()
        {
            IBioPolymer oBioPolymer = (IBioPolymer)NewChemObject();
            IStrand     oStrand1    = oBioPolymer.Builder.NewStrand();

            oStrand1.StrandName = "A";
            IMonomer oMono1 = oBioPolymer.Builder.NewMonomer();

            oMono1.MonomerName = "TRP279";
            IAtom oAtom1 = oBioPolymer.Builder.NewAtom("C");
            IAtom oAtom2 = oBioPolymer.Builder.NewAtom("C");

            oBioPolymer.AddAtom(oAtom1, oMono1, oStrand1);
            oBioPolymer.AddAtom(oAtom2, oMono1, oStrand1);
            oBioPolymer.AddAtom(oAtom1, null, oStrand1);

            Assert.AreEqual(2, oBioPolymer.GetMonomer("TRP279", "A").Atoms.Count);
            Assert.AreEqual(0, oBioPolymer.GetMonomer("", "A").Atoms.Count);
        }