Esempio n. 1
0
        public static void TestDynamicMgf(string fileName)
        {
            string filePath = Path.Combine(TestContext.CurrentContext.TestDirectory, "DataFiles", fileName);

            Mgf            staticMgf  = Mgf.LoadAllStaticData(filePath);
            MgfDynamicData dynamicMgf = new MgfDynamicData(filePath);

            foreach (MsDataScan staticScan in staticMgf.GetAllScansList())
            {
                MsDataScan dynamicScan = dynamicMgf.GetOneBasedScanFromDynamicConnection(staticScan.OneBasedScanNumber);

                Assert.That(dynamicScan.OneBasedScanNumber == staticScan.OneBasedScanNumber);
                Assert.That(dynamicScan.MsnOrder == staticScan.MsnOrder);

                if (!double.IsNaN(dynamicScan.RetentionTime) || !double.IsNaN(staticScan.RetentionTime))
                {
                    Assert.That(dynamicScan.RetentionTime == staticScan.RetentionTime);
                }

                Assert.That(dynamicScan.Polarity == staticScan.Polarity);
                Assert.That(dynamicScan.ScanWindowRange.Minimum == staticScan.ScanWindowRange.Minimum);
                Assert.That(dynamicScan.ScanWindowRange.Maximum == staticScan.ScanWindowRange.Maximum);
                Assert.That(dynamicScan.ScanFilter == staticScan.ScanFilter);
                Assert.That(dynamicScan.NativeId == staticScan.NativeId);
                Assert.That(dynamicScan.IsCentroid == staticScan.IsCentroid);
                Assert.That(dynamicScan.IsCentroid == staticScan.IsCentroid);
                Assert.That(dynamicScan.InjectionTime == staticScan.InjectionTime);
                Assert.That(dynamicScan.NoiseData == staticScan.NoiseData);

                Assert.That(dynamicScan.IsolationMz == staticScan.IsolationMz);
                Assert.That(dynamicScan.SelectedIonChargeStateGuess == staticScan.SelectedIonChargeStateGuess);
                Assert.That(dynamicScan.SelectedIonIntensity == staticScan.SelectedIonIntensity);
                Assert.That(dynamicScan.SelectedIonMZ == staticScan.SelectedIonMZ);
                Assert.That(dynamicScan.DissociationType == staticScan.DissociationType);
                Assert.That(dynamicScan.IsolationWidth == staticScan.IsolationWidth);
                Assert.That(dynamicScan.OneBasedPrecursorScanNumber == staticScan.OneBasedPrecursorScanNumber);
                Assert.That(dynamicScan.SelectedIonMonoisotopicGuessIntensity == staticScan.SelectedIonMonoisotopicGuessIntensity);
                Assert.That(dynamicScan.SelectedIonMonoisotopicGuessMz == staticScan.SelectedIonMonoisotopicGuessMz);

                if (dynamicScan.IsolationRange != null || staticScan.IsolationRange != null)
                {
                    Assert.That(dynamicScan.IsolationRange.Minimum == staticScan.IsolationRange.Minimum);
                    Assert.That(dynamicScan.IsolationRange.Maximum == staticScan.IsolationRange.Maximum);
                }

                Assert.That(dynamicScan.MassSpectrum.XArray.Length == staticScan.MassSpectrum.XArray.Length);
                Assert.That(dynamicScan.MassSpectrum.YArray.Length == staticScan.MassSpectrum.YArray.Length);

                for (int i = 0; i < staticScan.MassSpectrum.XArray.Length; i++)
                {
                    double staticMz        = staticScan.MassSpectrum.XArray[i];
                    double staticIntensity = staticScan.MassSpectrum.YArray[i];

                    double dynamicMz        = dynamicScan.MassSpectrum.XArray[i];
                    double dynamicIntensity = dynamicScan.MassSpectrum.YArray[i];

                    Assert.That(dynamicMz == staticMz);
                    Assert.That(dynamicIntensity == staticIntensity);
                }
            }
        }