public void RankScore() { var methodName = MethodBase.GetCurrentMethod().Name; TestUtils.ShowStarting(methodName); const int ranks = 20; const string filePath = @"\\protoapps\UserData\Wilkins\DIA\DIA.txt"; if (!File.Exists(filePath)) { Assert.Ignore(@"Skipping test {0} since file not found: {1}", methodName, filePath); } var rankScorer = new RankScore(filePath); for (int charge = 1; charge < 4; charge++) { var ionTypes = rankScorer.GetIonTypes(charge, 0); foreach (var ionType in ionTypes) { for (int r = 0; r <= ranks; r++) { Console.WriteLine("Charge: {0}, Ion Type: {1}, Rank: {2}, Score: {3}", charge, ionType.Name, r, rankScorer.GetScore(ionType, r, charge, 0.0)); } } } }
public ScoredSpectrum(Spectrum spec, RankScore scorer, int charge, double massWithH2O, Tolerance tolerance) { _rankedSpec = new RankedSpectrum(spec); _scorer = scorer; _charge = charge; _sequenceMass = massWithH2O; _tolerance = tolerance; }
public InformedBottomUpScorer(LcMsRun run, AminoAcidSet aaSet, int minProductCharge, int maxProductCharge, Tolerance tolerance) { Run = run; AminoAcidSet = aaSet; MinProductCharge = minProductCharge; MaxProductCharge = maxProductCharge; Tolerance = tolerance; _rankScorer = new RankScore(ActivationMethod.HCD, Ms2DetectorType.Orbitrap, Enzyme.Trypsin, Protocol.Standard); _scoredSpectra = new Dictionary<int, ScoredSpectrum>(); }
public void RankScoreParamResources() { var methodName = MethodBase.GetCurrentMethod().Name; TestUtils.ShowStarting(methodName); const int ranks = 20; var rankScorer = new RankScore(ActivationMethod.HCD, Ms2DetectorType.Iontrap, Enzyme.Trypsin, Protocol.Standard); for (int charge = 1; charge < 4; charge++) { var ionTypes = rankScorer.GetIonTypes(charge, 0); foreach (var ionType in ionTypes) { for (int r = 0; r <= ranks; r++) { Console.WriteLine(@"Charge: {0}, Ion Type: {1}, Rank: {2}, Score: {3}", charge, ionType.Name, r, rankScorer.GetScore(ionType, r, charge, 0.0)); } } } }
public DiaRankScore(string fileName) { _rankScore = new RankScore(fileName); }
public DiaRankScore(string fileName) { _rankScore = new RankScore(fileName); }