/// <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>
/// Read MSB Data File
/// </summary>
/// <param name="filepath">MSB file Path</param>
/// <returns></returns>
public int ReadMSBData(string filepath)
{
string folder = Path.GetDirectoryName(filepath);
string fileName = Path.GetFileName(filepath);
var pred = new Predicate <SelSpectrum>(x => (x.Folder == folder && x.FileName == fileName));
int find = _selSpectrum.FindIndex(pred);
if (find >= 0)
{
return(-1);
}
FileFactoryWrapper factory = FileFactoryWrapper.getInstance();
SampleSetWrapper set = factory.openFile(filepath);
if (set == null)
{
return(-1);
}
for (int num = 0; num < set.getNumberOfSamples(); num++)
{
FileData _tmpFileNameData = new FileData(num + 1, folder, fileName);
SampleWrapper sample = set.getSample((uint)num);
sample.openSample();
Debug.WriteLine(sample.getSampleSet().getFileName());
DataGroupNodeWrapper root = sample.getRootDataGroupNode();
List <ReadSpectrumData> listReadSpec = new List <ReadSpectrumData>();
List <uint> DescendantList = new List <uint>();
ReadSpectrum(root, 0, 0, ref listReadSpec, DescendantList);
for (uint n = 0; n < listReadSpec.Count; n++)
{
SpectrumWrapper spec = listReadSpec[(int)n].Spec;
string precursor = "";
if (spec.getMsStage() == 1)
{
precursor = "-----";
}
else if (spec.getMsStage() == 2)
{
precursor = spec.getPrecursor().ToString();
}
else
{
precursor = "\"" + spec.getPrecursor(1).ToString();
for (int pcnt = 2; pcnt < spec.getMsStage(); pcnt++)
{
precursor += ("," + spec.getPrecursor(pcnt).ToString());
}
precursor += "\"";
}
SelSpectrum selSpec = new SelSpectrum(num + 1,
folder, fileName, spec.getName(), spec.getRt().ToString(), precursor,
n, listReadSpec[(int)n].DescendantList, listReadSpec[(int)n].Descendant,
listReadSpec[(int)n].ChildNum, listReadSpec[(int)n].SpecNum);
selSpec.TotalSpecNum = n;
_selSpectrum.Add(selSpec);
SpectrumData tmpSpectrumNameData = new SpectrumData();
tmpSpectrumNameData.SpectrumName = spec.getName();
tmpSpectrumNameData.RT = spec.getRt();
if (spec.getMsStage() == 1)
{
tmpSpectrumNameData.Precusor = "-----";
}
else if (spec.getMsStage() == 2)
{
tmpSpectrumNameData.Precusor = spec.getPrecursor().ToString();
}
else
{
tmpSpectrumNameData.Precusor = "\"" + spec.getPrecursor(1).ToString();;
for (int pcnt = 2; pcnt < spec.getMsStage(); pcnt++)
{
tmpSpectrumNameData.Precusor = tmpSpectrumNameData.Precusor + "," + spec.getPrecursor(pcnt).ToString();
}
tmpSpectrumNameData.Precusor = tmpSpectrumNameData.Precusor + "\"";
}
_tmpFileNameData.SpectrumNameDataList.Add(tmpSpectrumNameData);
_tmpFileNameData.SpectrumNameList.Add(spec.getName());
}
_fileNameDataList.Add(_tmpFileNameData);
_bindFileName.Add("[" + _tmpFileNameData.SampleTabNo.ToString() + "] " + _tmpFileNameData.FileName);
_bindFileNameLastRow.Insert(_bindFileNameLastRow.Count - 1, "["
+ _tmpFileNameData.SampleTabNo.ToString() + "] " + _tmpFileNameData.FileName);
}
factory.closeFile(set);
return(0);
}