public override void TestGetMonomerCount() { IBioPolymer oBioPolymer = (IBioPolymer)NewChemObject(); Assert.AreEqual(0, oBioPolymer.GetMonomerMap().Count()); 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.Atoms.Add(oAtom1); oBioPolymer.AddAtom(oAtom2, oMono1, oStrand1); oBioPolymer.AddAtom(oAtom3, oMono2, oStrand2); Assert.IsNotNull(oBioPolymer.Atoms[0]); Assert.IsNotNull(oBioPolymer.Atoms[1]); Assert.IsNotNull(oBioPolymer.Atoms[2]); Assert.AreEqual(oAtom1, oBioPolymer.Atoms[0]); Assert.AreEqual(oAtom2, oBioPolymer.Atoms[1]); Assert.AreEqual(oAtom3, oBioPolymer.Atoms[2]); Assert.AreEqual(2, oBioPolymer.GetMonomerMap().Count()); }
public virtual void TestGetStrands() { IBioPolymer oBioPolymer = (IBioPolymer)NewChemObject(); IStrand oStrand1 = oBioPolymer.Builder.NewStrand(); IStrand oStrand2 = oBioPolymer.Builder.NewStrand(); oStrand1.StrandName = "A"; oStrand2.StrandName = "B"; IMonomer oMono1 = oBioPolymer.Builder.NewMonomer(); oMono1.MonomerName = "TRP279"; IMonomer oMono2 = oBioPolymer.Builder.NewMonomer(); oMono2.MonomerName = "GLY123"; IAtom oAtom1 = oBioPolymer.Builder.NewAtom("C"); IAtom oAtom2 = oBioPolymer.Builder.NewAtom("C"); oBioPolymer.AddAtom(oAtom1, oMono1, oStrand1); oBioPolymer.AddAtom(oAtom2, oMono2, oStrand2); IDictionary <string, IStrand> strands = new Dictionary <string, IStrand> { { "A", oStrand1 }, { "B", oStrand2 } }; Assert.IsTrue(Compares.AreDeepEqual(strands, oBioPolymer.GetStrandMap())); }
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")); }
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); }
private static IBioPolymer AddAminoAcid(IBioPolymer protein, IAminoAcid aaToAdd, IStrand strand) { foreach (var atom in aaToAdd.Atoms) { protein.AddAtom(atom, aaToAdd, strand); } foreach (var bond in aaToAdd.Bonds) { protein.Bonds.Add(bond); } return(protein); }
public virtual void TestGetStrand_String() { 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"); oBioPolymer.AddAtom(oAtom1, oMono1, oStrand1); Assert.AreEqual(oStrand1, oBioPolymer.GetStrand("A")); }
public virtual void TestRemoveStrand_String() { 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"); oBioPolymer.AddAtom(oAtom1, oMono1, oStrand1); Assert.IsTrue(oBioPolymer.GetStrandNames().Contains(oStrand1.StrandName)); Assert.AreEqual(1, oBioPolymer.Atoms.Count); oBioPolymer.RemoveStrand("A"); Assert.IsFalse(oBioPolymer.GetStrandNames().Contains(oStrand1.StrandName)); Assert.AreEqual(0, oBioPolymer.Atoms.Count); }