public void TestWriteToDta()
{
PeakList <Peak> spectrum = new DtaFormat <Peak>().ReadFromFile(this.testDtaFile);
var fi = new FileInfo(this.testDtaFile);
string tmpFile = fi.DirectoryName + "\\a.1.1." + spectrum.PrecursorCharge + ".dta";
try
{
this.dtaFormat.WriteToFile(tmpFile, spectrum);
PeakList <Peak> tmpSpectrum = this.dtaFormat.ReadFromFile(tmpFile);
Assert.AreEqual(spectrum.PrecursorMZ, tmpSpectrum.PrecursorMZ, 0.001);
Assert.AreEqual(spectrum.PrecursorCharge, tmpSpectrum.PrecursorCharge);
Assert.AreEqual(spectrum.Count, tmpSpectrum.Count);
}
finally
{
new FileInfo(tmpFile).Delete();
}
}
public override void WriteToFile(string targetDirectory, List <PeakList <T> > peakLists)
{
var dtaFormat = new DtaFormat <T>();
var di = new DirectoryInfo(targetDirectory);
if (!di.Exists)
{
di.Create();
}
Progress.SetRange(0, peakLists.Count);
foreach (var pkl in peakLists)
{
Progress.Increment(1);
if (Progress.IsCancellationPending())
{
throw new UserTerminatedException();
}
int oldcharge = pkl.PrecursorCharge;
int[] charges = null;
if (0 == oldcharge)
{
charges = new[] { 2, 3 };
}
else
{
charges = new[] { pkl.PrecursorCharge };
}
foreach (int charge in charges)
{
pkl.PrecursorCharge = charge;
String dtaFilename = di.FullName + "\\" + pkl.GetSequestDtaName();
dtaFormat.WriteToFile(dtaFilename, pkl);
}
}
}
