public static void CosCompute(List <CosInfo> cosInfos,
Dictionary <string, List <SpectramInfo> > spectraInfo, double tol = 0.01)
{
SpectrumCosineSimilarity calculator = new SpectrumCosineSimilarity();
foreach (string key in spectraInfo.Keys)
{
List <SpectramInfo> spectra = spectraInfo[key];
if (spectra.Count < 2)
{
continue;
}
for (int i = 0; i < spectra.Count - 1; i++)
{
for (int j = i + 1; j < spectra.Count; j++)
{
ISpectrum spectrumA = spectra[i].Spectrum;
ISpectrum spectrumB = spectra[j].Spectrum;
double cons = calculator.computeCos(spectrumA, spectrumB, tol);
cosInfos.Add(new CosInfo(key, spectra[i].ScanNum, spectra[j].ScanNum,
spectra[i].FileName, spectra[j].FileName, cons));
}
}
}
}
public static void ReadRaw(string fileName, Dictionary <string, List <int> > scanInfo,
Dictionary <string, List <SpectramInfo> > spectraInfo)
{
var builder = new ContainerBuilder();
builder.RegisterModule(new TopPeakPickingDelegatorModule()
{
MaxPeaks = 100
});
builder.RegisterModule(new SpectrumProcessingModule()
{
ScaleFactor = 1.0
});
builder.RegisterModule(new ThermoRawSpectrumModule());
IContainer Container = builder.Build();
SpectrumCosineSimilarity calculator = new SpectrumCosineSimilarity();
using (var scope = Container.BeginLifetimeScope())
{
var spectrumFacotry = scope.Resolve <ISpectrumFactory>();
spectrumFacotry.Init(fileName);
foreach (string key in scanInfo.Keys)
{
List <int> scans = scanInfo[key];
foreach (int scan in scans)
{
if (!spectraInfo.ContainsKey(key))
{
spectraInfo[key] = new List <SpectramInfo>();
}
spectraInfo[key].Add(new SpectramInfo(spectrumFacotry.GetSpectrum(scan), scan, fileName));
}
}
}
}
