public void TestGetAtomMassPercent() { Aminoacid aa = new Aminoacid(); aa.Initialize('G', "Glydddddd", 57.02147, 57.05, "Glycine", "C2H3NO", true, "", 2.1); double atomCPercent = aa.GetAtomMassPercent(Atom.C); Assert.AreEqual(Atom.C.MonoMass * 2 / aa.MonoMass, atomCPercent, 0.0001); }
public void TestInitialize() { Aminoacid aa = new Aminoacid(); Assert.AreEqual(false, aa.Visible); aa.Initialize('G', "Glydddddd", 57.02147, 57.05, "Glycine", "C2H3NO", true, "", 2.1); Assert.AreEqual("Gly", aa.ThreeName); Assert.AreEqual(57, aa.NominalMass); Assert.AreEqual("G Gly 57.0215 57.05 Glycine C2H3NO", aa.ToString()); }
public AtomComposition GetPeptideAtomComposition(string sequence, string terminal) { var result = new AtomComposition(terminal); foreach (char c in sequence) { Aminoacid aa = this.mAminoacids[c]; result.Add(aa.Composition); } return(result); }
public void TestGetCarbonPercentAminoacid() { Aminoacids aas = new Aminoacids(); Aminoacid maxAA = aas.GetMaxCarbonPercentAminoacid(); Assert.AreEqual("Phe", maxAA.ThreeName); Aminoacid minAA = aas.GetMinCarbonPercentAminoacid(); Assert.AreEqual("Cys", minAA.ThreeName); }
public Aminoacid(Aminoacid source) { this.oneName = source.oneName; this.threeName = source.threeName; this.monoMass = source.monoMass; this.averageMass = source.averageMass; this.nominalMass = source.nominalMass; this.description = source.description; this.composition = new AtomComposition(source.ToString()); this.visible = source.visible; this.codes = (string[])source.codes.Clone(); this.ExcahangableHAtom = source.ExcahangableHAtom; }
public int AtomCount(string sequence, Atom atom) { int result = 0; foreach (char c in sequence) { Aminoacid aa = this.mAminoacids[c]; if (aa.Composition.ContainsKey(atom)) { result += aa.Composition[atom]; } } return(result); }
public Aminoacid GetMinCarbonPercentAminoacid() { Aminoacid result = null; double minCarbonPercent = 1.0; for (int i = 0; i < 128; i++) { if (this[i].Visible) { double curCarbonPercent = this[i].GetAtomMassPercent(Atom.C); if (curCarbonPercent < minCarbonPercent) { minCarbonPercent = curCarbonPercent; result = this[i]; } } } return(result); }
public static double GetAverageMass(Aminoacid aa) { return(aa.AverageMass); }
public static double GetMonoMass(Aminoacid aa) { return(aa.MonoMass); }