public void TestGetPrecursorNeutralLossPeaks()
{
List<INeutralLossType> nls = new INeutralLossType[] { NeutralLossConstants.NL_H3PO4 }.ToList();
MatchedPeak precursor = new MatchedPeak(1000, 0, 2);
List<MatchedPeak> pkls = matcher.GetNeutralLossPeaks(IonType.PRECURSOR_NEUTRAL_LOSS_PHOSPHO, precursor, nls, (m => m.IsPhosphoNeutralLossType()));
Assert.AreEqual("[MH2-H3PO4]", pkls[0].DisplayName);
Assert.AreEqual(1000 - NeutralLossConstants.NL_H3PO4.Mass / 2, pkls[0].Mz, 0.01);
precursor.Charge = 1;
pkls = matcher.GetNeutralLossPeaks(IonType.PRECURSOR_NEUTRAL_LOSS_PHOSPHO, precursor, nls, (m => m.IsPhosphoNeutralLossType()));
Assert.AreEqual("[MH-H3PO4]", pkls[0].DisplayName);
Assert.AreEqual(1000 - NeutralLossConstants.NL_H3PO4.Mass, pkls[0].Mz, 0.01);
}
public void TestInformation()
{
MatchedPeak p = new MatchedPeak(1000, 0.0, 2);
p.DisplayName = "TEST";
Assert.AreEqual("TEST++ 1000.0000", p.Information);
p.Charge = 1;
Assert.AreEqual("TEST 1000.0000", p.Information);
p.DisplayName = null;
p.PeakType = IonType.PRECURSOR;
Assert.AreEqual("[MH] 1000.0000", p.Information);
p.Charge = 2;
Assert.AreEqual("[MH2]++ 1000.0000", p.Information);
p.PeakType = IonType.B2;
p.PeakIndex = 5;
Assert.AreEqual("b5++ 1000.0000", p.Information);
p.Charge = 1;
Assert.AreEqual("b5 1000.0000", p.Information);
}
protected void AssertPeak(MatchedPeak p, string displayName, double mz)
{
Assert.AreEqual(displayName, p.DisplayName);
Assert.AreEqual(mz, p.Mz, 0.01);
}
