public TicGenerator(Run run, SpectrumCache spectrumCache)
{
this.run = run;
this.spectrumCache = spectrumCache;
spectrumExtractor = new SpectrumExtractor(run, spectrumCache);
ticCache = new TicCache();
}
public AveragedSpectrumExtractor(Run run, SpectrumCache spectrumCache)
{
this.run = run;
this.spectrumCache = spectrumCache;
rtToTimePointConverter = new RtToTimePointConverter(run, spectrumCache);
spectrumExtractor = new SpectrumExtractor(run, spectrumCache);
}
public void MyTestInitialize()
{
dataFile = new MSDataFile(Properties.Settings.Default.mzXMLTestFile1);
spectrumCache = new SpectrumCache();
ticGenerator = new TicGenerator(dataFile.run, spectrumCache);
timer = new Stopwatch();
}
public void GenerateFromMSMS()
{
dataFile = new MSDataFile(Properties.Settings.Default.mzXMLTestFile2);
spectrumCache = new SpectrumCache();
xicGenerator = new XicGenerator(dataFile.run, spectrumCache);
IXYData xic = xicGenerator.Generate(592.3, 592.3, 0.01, TimeUnit.Seconds);
Assert.AreEqual(239, xic.XValues.Count);
Assert.AreEqual(7.6804, Math.Round(xic.GetXYPair(168).XValue, 10));
Assert.AreEqual(519, xic.GetXYPair(168).YValue);
}
public void MyTestInitialize()
{
cache = new SpectrumCache();
}
public void Open(string fileName, int sampleIndex)
{
if (_currentSampleIndex != sampleIndex || _currentFileName != fileName)
{
MSDataList msdList = new MSDataList();
ReaderList.FullReaderList.read(fileName, msdList);
_dataFile = msdList[0];
_run = _dataFile.run;
_currentFileName = fileName;
_currentSampleIndex = sampleIndex;
spectrumCache = new SpectrumCache();
ticGenerator = new TicGenerator(_run, spectrumCache);
xicGenerator = new XicGenerator(_run, spectrumCache);
spectrumExtractor = new SpectrumExtractor(_run, spectrumCache);
averagedSpectrumExtractor = new AveragedSpectrumExtractor(_run, spectrumCache);
}
}
private void SetupMSMSData()
{
dataFile = new MSDataFile(Properties.Settings.Default.mzXMLTestFile2);
spectrumCache = new SpectrumCache();
timePointToRtConverter = new RtToTimePointConverter(dataFile.run, spectrumCache);
}
public void MyTestInitialize()
{
dataFile = new MSDataFile(Properties.Settings.Default.mzXMLTestFile1);
spectrumCache = new SpectrumCache();
timePointToRtConverter = new RtToTimePointConverter(dataFile.run, spectrumCache);
}
public void GetMSMSSpectrum()
{
dataFile = new MSDataFile(Properties.Settings.Default.mzXMLTestFile2);
spectrumCache = new SpectrumCache();
averagedSpectrumExtractor = new AveragedSpectrumExtractor(dataFile.run, spectrumCache);
Domain.ISpectrum msmsSpectrum = averagedSpectrumExtractor.GetMSMSSpectrum(7.8, 1, 592.3, 0.5);
Assert.AreEqual(42279, msmsSpectrum.Count);
Assert.AreEqual(37, Math.Round(msmsSpectrum.GetXYPair(63).YValue, 5));
}
public SpectrumExtractor(Run run, SpectrumCache spectrumCache)
{
this.run = run;
this.spectrumCache = spectrumCache;
}
public RtToTimePointConverter(Run run, SpectrumCache spectrumCache)
{
this.run = run;
ticGenerator = new TicGenerator(run, spectrumCache);
}