public void ExecuteWithoutPeaks()
{
IDataProvider realDataProvider = new ProteoWizardDataProvider(mockEventAggregator.Object);
realDataProvider.Open(Properties.Settings.Default.mzXMLTestFile1, 0);
IXYData xyData = realDataProvider.GetSpectrum(1.5, 1.5, 298, 300, 0.1);
outputEvent.Subscribe(OnPublishWithoutPeaks);
IList<MSPeak> peaks = spectralPeakDetection.Execute(xyData);
Assert.AreEqual(0, peaks.Count);
Assert.AreEqual(2, messageCount);
Assert.AreEqual(true, publishCalled);
}
public void ExecuteOnSpectrum()
{
IDataProvider realDataProvider = new ProteoWizardDataProvider(mockEventAggregator.Object);
realDataProvider.Open(Properties.Settings.Default.mzXMLTestFile1, 0);
IXYData xyData = realDataProvider.GetSpectrum(1.5, 1.5, 298, 302, 0.1);
SetupOutputEvents();
IXYData smoothedXYData = smoothing.Execute(xyData);
Assert.AreEqual(xyData.XValues.Count, smoothedXYData.XValues.Count);
Assert.AreEqual(37, xyData.YValues[14]);
Assert.AreEqual(15.47619, Math.Round(smoothedXYData.YValues[14], 5));
Assert.AreEqual(true, publishCalled);
Assert.AreEqual(true, clickablePublishCalled);
}
public void Execute()
{
IDataProvider realDataProvider = new ProteoWizardDataProvider(mockEventAggregator.Object);
realDataProvider.Open(Properties.Settings.Default.mzXMLTestFile1, 0);
IXYData xyData = realDataProvider.GetTotalIonChromatogram(TimeUnit.Seconds);
outputEvent.Subscribe(OnPublish);
IList<ChromatographicPeak> peaks = chromatographicPeakDetection.Execute(xyData);
Assert.AreEqual(1, peaks.Count);
Assert.AreEqual(7.58158, Math.Round(peaks[0].Rt, 5));
Assert.AreEqual(69884, peaks[0].PeakHeight);
Assert.AreEqual(3, messageCount);
Assert.AreEqual(true, publishCalled);
}
public void Execute()
{
IDataProvider realDataProvider = new ProteoWizardDataProvider(mockEventAggregator.Object);
realDataProvider.Open(Properties.Settings.Default.mzXMLTestFile1, 0);
IXYData xyData = realDataProvider.GetSpectrum(1.5, 1.5, 298, 302, 0.1);
outputEvent.Subscribe(OnPublish);
IList<MSPeak> peaks = spectralPeakDetection.Execute(xyData);
Assert.AreEqual(2, peaks.Count);
Assert.AreEqual(301.11931, Math.Round(peaks[0].MZ, 5));
Assert.AreEqual(18, peaks[0].Intensity);
Assert.AreEqual(301.13492, Math.Round(peaks[1].MZ, 5));
Assert.AreEqual(37, peaks[1].Intensity);
Assert.AreEqual(4, messageCount);
Assert.AreEqual(true, publishCalled);
}
private IXYData LoadChromatogram()
{
IDataProvider realDataProvider = new ProteoWizardDataProvider(mockEventAggregator.Object);
realDataProvider.Open(Properties.Settings.Default.mzXMLTestFile1, 0);
IXYData xyData = realDataProvider.GetTotalIonChromatogram(TimeUnit.Seconds);
SetupOutputEvents();
return xyData;
}