public static void dynamicBoxCarRange() { var Parameters = Program.AddParametersFromFile(""); List <double> masses = new List <double> { 375.0, 698.16, 637.49, 666.43, 1237.5 }; Tuple <double, double, double>[] tuples = new Tuple <double, double, double>[] { new Tuple <double, double, double>(400.0, 636.5, 236.5), new Tuple <double, double, double>(638.5, 665.4, 26.9), new Tuple <double, double, double>(667.4, 697.2, 29.8), new Tuple <double, double, double>(699.2, 1200.0, 500.8) }; string dynamicTargets; string dynamicMaxITs; var test = BoxCarScan.BuildDynamicBoxString(Parameters, tuples, out dynamicTargets, out dynamicMaxITs); Assert.AreEqual(test, "[(402.50,634.00),(641.00,662.90),(669.90,694.70),(701.70,1197.50)]"); Assert.That(dynamicTargets == "[125000,125000,125000,125000]"); Assert.That(dynamicMaxITs == "[63,63,63,63]"); var dynamicInclusion = BoxCarScan.BuildDynamicBoxInclusionString(Parameters, masses, out dynamicTargets, out dynamicMaxITs); Assert.AreEqual(dynamicInclusion, "[(697.660,698.660),(636.990,637.990),(665.930,666.930)]"); Assert.That(dynamicTargets == "[166666,166666,166666]"); Assert.That(dynamicMaxITs == "[84,84,84]"); var dynamicInclusionForMS2 = DataDependentScan.BuildDynamicBoxInclusionString(Parameters, masses, out dynamicTargets, out dynamicMaxITs); Assert.AreEqual(dynamicInclusionForMS2, "[(374.300,375.700),(697.460,698.860),(636.790,638.190),(665.730,667.130),(1236.800,1238.200)]"); }
public static void BU_dynamicBoxCarRange() { string FilepathMZML = Path.Combine(TestContext.CurrentContext.TestDirectory, @"Data/20170802_QEp1_FlMe_SA_BOX0_SILAC_BoxCar_SLICED.mzML"); MsDataFile file = Mzml.LoadAllStaticData(FilepathMZML, null); var scans = file.GetAllScansList(); var spectrum = new MzSpectrumXY(scans.First().MassSpectrum.XArray, scans.First().MassSpectrum.YArray, true); Parameters parameters = Program.AddParametersFromFile(""); var isos = IsoDecon.MsDeconv_Deconvolute(spectrum, spectrum.Range, parameters.DeconvolutionParameter); List <List <Tuple <double, double, double> > > Boxes = new List <List <Tuple <double, double, double> > >(); BoxCarScan.GenerateDynamicBoxes_BU(isos, parameters, Boxes); Assert.That(Boxes.Count == 2); }
public static void test_StaticBoxCar() { Parameters parameters = new Parameters(); parameters.BoxCarScanSetting = new BoxCarScanSetting() { NumberOfBoxCarScans = 2, NumberOfBoxCarBoxes = 12, BoxCarMzRangeLowBound = 400.0, BoxCarMzRangeHighBound = 1600, BoxCarOverlap = 2 }; var gammaSep = BoxCarScan.GammaDistributionSeparation(parameters); var staticBoxCars = BoxCarScan.GenerateStaticBoxes(gammaSep, parameters.BoxCarScanSetting.NumberOfBoxCarScans); BoxCarScan.BuildStaticBoxString(parameters); var test = BoxCarScan.StaticBoxCarScanRanges; Assert.AreEqual(test[1], "[(434.64,473.20),(502.56,539.25),(567.67,604.10),(632.80,669.97),(699.83,738.60),(770.48,811.73),(846.62,891.47),(930.65,980.65),(1026.06,1083.64),(1138.43,1207.86),(1278.01,1368.09),(1467.44,1600.00)]"); }