/// <summary>
/// Submit latest result to sample tree.
/// </summary>
public void SubmitResultToTree()
{
// No Result
if (Result == null)
{
return;
}
ClrMsDataVariant msObj = new ClrMsDataVariant(_clrVariant);
DataGroupNodeWrapper dgnw = msObj.getSample().getRootDataGroupNode();
//Add result to sample tree.
SampleSetResampling sampleSet = new SampleSetResampling();
SampleResampling sample = new SampleResampling(sampleSet);
sample.openSample();
DataGroupNodeWrapper root = sample.getRootDataGroupNode();
sample.setName("Contaminant peak removed " + msObj.getSample().getName());
root.setName("Contaminant peak removed " + dgnw.getName());
int cnt = 0;
for (int i = 0; i < Result.Spectrums.Count(); i++)
{
ClrDataPoints pts = Result.DataPoints[i];
SpectrumWrapper sw = Result.Spectrums[i];
XYDataWrapper xyd;
SpectrumResampling spec;
if (Result.Spectrums.Count == 1)
{
spec = new SpectrumResampling(sample, sw.getName());
}
else
{
cnt++;
spec = new SpectrumResampling(sample, Result.Spectrums[i].getName() + " (" + cnt.ToString() + ")");
}
xyd = spec.getXYData();
spec.SetData(pts);
spec.onGetXYData(xyd, -1.0, -1.0);
spec.setMinX(pts.getMinX());
spec.setMaxX(pts.getMaxX());
spec.setMaxIntensity(pts.getMaxY());
spec.setMsStage((int)sw.getMsStage());
sample.setSampleIndex((int)0);
root.addSpectrum(spec);
}
sampleSet.addSample(sample);
ClrPluginCallTool.onOpenSample(sample);
}
/// <summary>
/// Divide Operation
/// </summary>
/// <param name="result">ResultResampling Class</param>
/// <returns>ResultSpectrumCalculation</returns>
private SpectrumCalculationResult OperationDivide(ResamplingResult result)
{
if (!ValidateResult(result))
{
return(null);
}
SpectrumCalculationResult spectrumResult = new SpectrumCalculationResult();
ClrDataPoints basePts = new ClrDataPoints();
ClrDataPoints firstPts = result.GetResultData(0);
double threshold = firstPts.getMaxY() * Math.Pow(10, -6);
for (uint i = 0; i < firstPts.getLength(); i++)
{
if (_stopFlag == true)
{
return(null);
}
double value = Math.Max(firstPts.getY(i), threshold);
basePts.addPoint(firstPts.getX(i), value);
}
List <ClrDataPoints> subtract = new List <ClrDataPoints>();
for (int i = 1; i < result.GetXYDataNum(); i++)
{
ClrDataPoints temp = new ClrDataPoints();
for (uint j = 0; j < basePts.getLength(); j++)
{
if (_stopFlag == true)
{
return(null);
}
temp.addPoint(basePts.getX(j),
result.GetResultData(i).getY(j) / basePts.getY(j));
}
subtract.Add(temp);
}
//2013/11/26 - del
//spectrumResult.AddResult(basePts, _specList[0], SPECTRUMNAME_DIVIDED);
//enddel
for (int i = 0; i < subtract.Count; i++)
{
if (_stopFlag == true)
{
return(null);
}
spectrumResult.AddResult(subtract[i], _specList[i + 1], SPECTRUMNAME_DIVIDED);
}
return(spectrumResult);
}
/// <summary>
/// Display Calculation Results on tree view
/// </summary>
public void DisplayCalculationResult()
{
// No Result
if (_resultSpecCal == null)
{
return;
}
//Add result to sample tree.
SampleSetResampling sampleSet = new SampleSetResampling();
SampleResampling sample = new SampleResampling(sampleSet);
sample.openSample();
DataGroupNodeWrapper root = sample.getRootDataGroupNode();
sample.setName(_resultSpecCal.Spectrums[0].getName() + " Sample");
root.setName(_resultSpecCal.Spectrums[0].getName() + " Sample");
int cnt = 0;
foreach (SpectrumResampling sr in _resultSpecCal.Spectrums)
{
ClrDataPoints xyd = new ClrDataPoints();
SpectrumResampling spec;
if (_resultSpecCal.Spectrums.Count == 1)
{
spec = new SpectrumResampling(sample, sr.getName() + " Spectrum");
}
else
{
cnt++;
spec = new SpectrumResampling(sample, sr.getName() + " Spectrum_" + cnt.ToString());
}
ClrDataPoints pts = new ClrDataPoints();
sr.getXYData(pts, false);
spec.getXYData(xyd, false);
spec.SetData(pts);
spec.setMinX(pts.getMinX());
spec.setMaxX(pts.getMaxX());
spec.setMaxIntensity(pts.getMaxY());
spec.onGetXYData(xyd, -1.0, -1.0);
spec.setMsStage((int)sr.getMsStage());
sample.setSampleIndex((int)0);
root.addSpectrum(spec);
}
sampleSet.addSample(sample);
ClrPluginCallTool.onOpenSample(sample);
}
/// <summary>
/// Set Spectrum calculation result to active object.
/// </summary>
/// <param name="resultSpecCal">Spectrum calculation result</param>
private static void SetResultToActiveObject(SpectrumCalculationResult resultSpecCal)
{
// Preparing Output files.
SampleSetResampling sampleSet = new SampleSetResampling();
SampleResampling sample = new SampleResampling(sampleSet);
sample.openSample();
DataGroupNodeWrapper root = sample.getRootDataGroupNode();
// _resultSpecCal.Spectrums[0].getName() returns
// "Average" or "Summed" or "Subtracted" or "Divided".
sample.setName(resultSpecCal.Spectrums[0].getName() + " " + SAMPLE_STRING);
root.setName(resultSpecCal.Spectrums[0].getName() + " " + SAMPLE_STRING);
int cnt = 0;
foreach (SpectrumResampling sr in resultSpecCal.Spectrums)
{
ClrDataPoints xyd = new ClrDataPoints();
SpectrumResampling spec;
if (resultSpecCal.Spectrums.Count == 1)
{
spec = new SpectrumResampling(sample, sr.getName() + " " + SPECTRUM_STRING);
}
else
{
cnt++;
spec = new SpectrumResampling(sample, sr.getName() + " " + SPECTRUM_STRING + "_" + cnt.ToString());
}
ClrDataPoints pts = new ClrDataPoints();
sr.getXYData(pts, false);
spec.getXYData(xyd, false);
spec.SetData(pts);
spec.setMinX(pts.getMinX());
spec.setMaxX(pts.getMaxX());
spec.setMaxIntensity(pts.getMaxY());
spec.onGetXYData(xyd, -1.0, -1.0);
spec.setMsStage((int)sr.getMsStage());
sample.setSampleIndex((int)0);
root.addSpectrum(spec);
}
sampleSet.addSample(sample);
// -out
kome.clr.ActiveObjectsManagerWrapper aoMgr = kome.clr.ActiveObjectsManagerWrapper.getInstance();
aoMgr.setActiveSample(sample);
}