public void TestToExperimentalScanDictionary()
{
IsobaricResult items = new IsobaricResult();
items.Add(new IsobaricItem()
{
Experimental = "A1", Scan = new ScanTime(1, 0.0)
});
items.Add(new IsobaricItem()
{
Experimental = "A1", Scan = new ScanTime(2, 0.0)
});
items.Add(new IsobaricItem()
{
Experimental = "A2", Scan = new ScanTime(1, 0.0)
});
items.Add(new IsobaricItem()
{
Experimental = "A2", Scan = new ScanTime(2, 0.0)
});
items.Add(new IsobaricItem()
{
Experimental = "A2", Scan = new ScanTime(3, 0.0)
});
var dic = items.ToExperimentalScanDictionary();
Assert.AreEqual(2, dic.Count);
Assert.AreEqual(2, dic.Values.First().Count);
Assert.AreEqual(3, dic.Values.Last().Count);
}
public void TestToExperimentalScanDictionary()
{
IsobaricResult items = new IsobaricResult();
items.Add(new IsobaricItem() { Experimental = "A1", Scan = new ScanTime(1, 0.0) });
items.Add(new IsobaricItem() { Experimental = "A1", Scan = new ScanTime(2, 0.0) });
items.Add(new IsobaricItem() { Experimental = "A2", Scan = new ScanTime(1, 0.0) });
items.Add(new IsobaricItem() { Experimental = "A2", Scan = new ScanTime(2, 0.0) });
items.Add(new IsobaricItem() { Experimental = "A2", Scan = new ScanTime(3, 0.0) });
var dic = items.ToExperimentalScanDictionary();
Assert.AreEqual(2, dic.Count);
Assert.AreEqual(2, dic.Values.First().Count);
Assert.AreEqual(3, dic.Values.Last().Count);
}
public void Setup()
{
t1 = new IsobaricItem()
{
Experimental = "S1",
ScanMode = "HCD",
PlexType = IsobaricType.PLEX4,
PrecursorPercentage = 0.85,
Scan = new ScanTime(255, 3.4),
RawPeaks = new PeakList<Peak>(new Peak[] { new Peak(114.1, 114.1), new Peak(115.1, 115.1), new Peak(116.1, 116.1), new Peak(117.1, 117.1) }.ToList()),
PeakInIsolationWindow = new PeakList<Peak>(new Peak[] { new Peak(214.1, 114.1), new Peak(215.1, 115.1), new Peak(216.1, 116.1), new Peak(217.1, 117.1) }.ToList())
{
Precursor = new PrecursorPeak()
{
MasterScan = 1,
Charge = 2,
Intensity = 3.0,
IsolationMass = 1800.1,
IsolationWidth = 2.0,
MonoIsotopicMass = 1879.1
}
}
};
t1[114] = 4.5;
t1[115] = 5.5;
t1[116] = 6.5;
t1[117] = 7.5;
t2 = new IsobaricItem()
{
Experimental = "S2",
ScanMode = "ETD",
PlexType = IsobaricType.PLEX8,
PrecursorPercentage = 0.33,
Scan = new ScanTime(355, 4.4),
RawPeaks = new PeakList<Peak>(new Peak[] { new Peak(114.1, 1114.1), new Peak(115.1, 1115.1), new Peak(116.1, 1116.1), new Peak(117.1, 1117.1) }.ToList()),
PeakInIsolationWindow = new PeakList<Peak>(new Peak[] { new Peak(1214.1, 114.1), new Peak(1215.1, 115.1), new Peak(1216.1, 116.1), new Peak(1217.1, 117.1) }.ToList())
{
Precursor = new PrecursorPeak()
{
MasterScan = 3,
Charge = 3,
Intensity = 4.0,
IsolationMass = 2800.1,
IsolationWidth = 3.0,
MonoIsotopicMass = 2879.1
}
}
};
t2[113] = 3.5;
t2[114] = 4.5;
t2[115] = 5.5;
t2[116] = 6.5;
t2[117] = 7.5;
t2[118] = 8.5;
t2[119] = 9.5;
t2[121] = 11.5;
tr = new IsobaricResult();
tr.Mode = "PQD";
tr.Add(t1);
tr.Add(t2);
}
