public IXYData Execute(Sample sample, double rt, double mz) { IXYData spectrum = sample.GetMsMsSpectrum(rt, LCPeakElutionWidth, mz, mzVariability); spectrum.Title = "MSMS (RT=" + rt.ToString("N2") + " LCPeakElutionWidth=" + LCPeakElutionWidth.ToString("N2") + " mz=" + mz.ToString("N2") + " MZ Range=" + mzVariability.ToString("N2") + ") - " + Path.GetFileName(sample.FileName); ClickableOutputEvent clickableOutput = new ClickableOutputEvent(); clickableOutput.Click = new DelegateCommand<IXYData>(OnViewXIC); clickableOutput.Text = " MSMS Spectrum found (sample=" + sample.FileName + ", x values=" + spectrum.XValues.Count + ", y values=" + spectrum.YValues.Count + ")"; clickableOutput.Parameter = spectrum; this.clickableOutput.Publish(clickableOutput); return spectrum; }
public IXYData Execute(Sample sample, double mass1) { IXYData xicData = sample.GetExtractedIonChromatogram(mass1, mass1, _mzVar, Core.TimeUnit.Seconds); xicData.Title = "XIC (" + mass1.ToString("N4") + " mzTol=" + _mzVar + ") - " + Path.GetFileName(sample.FileName); ClickableOutputEvent clickableOutput = new ClickableOutputEvent(); clickableOutput.Click = new DelegateCommand<IXYData>(OnViewXIC); clickableOutput.Text = " XIC found (sample=" + sample.FileName + ", x values=" + xicData.XValues.Count + ", y values=" + xicData.YValues.Count + ", time unit=" + xicData.TimeUnit + ")"; clickableOutput.Parameter = xicData; _clickableOutput.Publish(clickableOutput); return xicData; }
public void Execute() { mockDataProvider.Setup(mock => mock.GetExtractedIonChromatogram(200, 200, 2.5, TimeUnit.Seconds)).Returns(new XYData(new double[] { 1, 2 }, new double[] { 3, 4 })); clickableOutputEvent.Subscribe(OnPublish); Sample sample = new Sample("test.mzxml", "test.mzxml", mockDataProvider.Object); xicSelection.MzVar = 2.5; IXYData xyData = xicSelection.Execute(sample, 200); Assert.AreEqual("XIC (200.0000 mzTol=2.5) - test.mzxml", xyData.Title); Assert.AreEqual(true, publishCalled); }
public void Execute() { mockDataProvider.Setup(mock => mock.GetSpectrum(2.25, 2.75, 250.5, 251.5, 0)).Returns(new XYData(new double[] { 1, 2 }, new double[] { 3, 4 })); clickableOutputEvent.Subscribe(OnPublish); Sample sample = new Sample("test.mzxml", "test.mzxml", mockDataProvider.Object); spectrumSelection.MZLowerOffset = 0.5; spectrumSelection.MZUpperOffset = 1.5; IXYData xyData = spectrumSelection.Execute(sample, 2.25, 2.75, 250); Assert.AreEqual("MS (RT=2.25-2.75 Mass=250.0000) - test.mzxml", xyData.Title); Assert.AreEqual(true, publishCalled); }
public void Execute() { mockDataProvider.Setup(mock => mock.GetMsMsSpectrum(7.3, 0.5, 210.2, 1.5)).Returns(new XYData(new double[] { 1, 2 }, new double[] { 3, 4 })); clickableOutputEvent.Subscribe(OnPublish); Sample sample = new Sample("test.mzxml", "test.mzxml", mockDataProvider.Object); msmsSpectrumSelection.LCPeakElutionWidth = 0.5; msmsSpectrumSelection.MZVariablility = 1.5; IXYData xyData = msmsSpectrumSelection.Execute(sample, 7.3, 210.2); Assert.AreEqual("MSMS (RT=7.30 LCPeakElutionWidth=0.50 mz=210.20 MZ Range=1.50) - test.mzxml", xyData.Title); Assert.AreEqual(true, publishCalled); }
public IXYData Execute(Sample sample, double startTime, double stopTime, double monoIsotopicMass) { IXYData spectrum = sample.GetSpectrum(startTime, stopTime, monoIsotopicMass + MZLowerOffset, monoIsotopicMass + MZUpperOffset, 0); spectrum.Title = "MS (RT=" + startTime.ToString("N2") + "-" + stopTime.ToString("N2") + " Mass=" + monoIsotopicMass.ToString("N4") + ") - " + Path.GetFileName(sample.FileName); ClickableOutputEvent clickableOutput = new ClickableOutputEvent(); clickableOutput.Click = new DelegateCommand<IXYData>(OnViewXIC); clickableOutput.Text = " Spectrum found (sample=" + sample.FileName + ", x values=" + spectrum.XValues.Count + ", y values=" + spectrum.YValues.Count + ")"; clickableOutput.Parameter = spectrum; _clickableOutput.Publish(clickableOutput); return spectrum; }