public void Test()
{
using (var sr = new StreamReader(TestContext.CurrentContext.TestDirectory + "/../../../data//Ribo B 645.txt"))
{
var iter = new MascotGenericFormatIterator <Peak>(sr);
PeakList <Peak> expPkl = iter.Next();
var score = new XCorrelationSpectrumScore <Peak>(expPkl);
var builder = new ETDPeptideCSeriesBuilder <IonTypePeak>(2000, 3);
builder.CurAminoacids['*'].ResetMass(1217.117, 1217.117);
List <IonTypePeak> thePkl = builder.Build("SRN*LTK");
double Score = score.Calculate(thePkl);
Console.Out.WriteLine("Score={0:0.0000}", Score);
}
}
public void Test()
{
using (var sr = new StreamReader("../../../data/Ribo B 645.txt"))
{
var iter = new MascotGenericFormatIterator<Peak>(sr);
PeakList<Peak> expPkl = iter.Next();
var score = new XCorrelationSpectrumScore<Peak>(expPkl);
var builder = new ETDPeptideCSeriesBuilder<IonTypePeak>(2000, 3);
builder.CurAminoacids['*'].ResetMass(1217.117, 1217.117);
List<IonTypePeak> thePkl = builder.Build("SRN*LTK");
double Score = score.Calculate(thePkl);
Console.Out.WriteLine("Score={0:0.0000}", Score);
}
}
public void TestBuild()
{
var aas = new Aminoacids();
var builder = new ETDPeptideCSeriesBuilder<IonTypePeak>(2000, 3)
{
CurAminoacids = aas
};
aas['*'].ResetMass(1217.117, 1217.117);
List<IonTypePeak> pkl = builder.Build("SRN*LTK");
AssertPeak(pkl[0], IonType.C, 1, 105.0664);
AssertPeak(pkl[1], IonType.C, 2, 261.1675);
AssertPeak(pkl[2], IonType.C, 3, 1592.3274);
AssertPeak(pkl[3], IonType.C, 4, 1705.4115);
AssertPeak(pkl[4], IonType.C, 5, 1806.4592);
//pkl.ForEach(p => Console.Out.WriteLine(MyConvert.Format("{0}{1}\t{2:0.0000}", p.PeakType, p.PeakIndex, p.Mz)));
}