/// <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);
}
/// <summary>
/// Search Spectrum from spectrum file name and spectrum name
/// </summary>
/// <param name="strFilename">file name</param>
/// <param name="strSpectrum">spectrum name</param>
/// <returns>Spectrum</returns>
///
private static SpectrumWrapper SearchSpectrum(string strFilename, string strSpectrum)
{
string strFilenameLower = strFilename.ToLower();
// get the rawdata that specified by -in option.
kome.clr.ActiveObjectsManagerWrapper aoMgr = kome.clr.ActiveObjectsManagerWrapper.getInstance();
uint uNumberOfOpenedSamples = aoMgr.getNumberOfOpenedSamples();
for (uint i = 0; i < uNumberOfOpenedSamples; i++)
{
kome.clr.SampleWrapper opend_sample = aoMgr.getOpenedSample(i);
kome.clr.SampleSetWrapper sample_set = opend_sample.getSampleSet();
string strOpendFilePathOrg = sample_set.getFilePath();
string strOpendFileNameOrg = sample_set.getFileName();
// To lower.
string strOpendFilePathLower = strOpendFilePathOrg.ToLower();
string strOpendFileNameLower = strOpendFileNameOrg.ToLower();
// Compair strOpendFilePathLower and strFilenameLower.
if (strOpendFilePathLower != strFilenameLower)
{
continue;
}
int nSampleID = opend_sample.getSampleId();
string strName = opend_sample.getName();
uint uGroups = opend_sample.getNumberOfGroups();
for (uint j = 0; j < uGroups; j++)
{
kome.clr.DataGroupNodeWrapper node = opend_sample.getGroup(j);
uint numberOfSpectra = node.getNumberOfSpectra();
for (uint k = 0; k < numberOfSpectra; k++)
{
kome.clr.SpectrumWrapper spec = node.getSpectrum(k);
string strNameSpec = spec.getName();
double dRt = spec.getRt();
// Use first spectrum when specname is null string.
bool flgUseFirstSpectrum = (strSpectrum == null) || strSpectrum.Length == 0 || strSpectrum.All((s) => (s == ' '));
if ((strNameSpec != strSpectrum) &&
!flgUseFirstSpectrum)
{
continue;
}
return(spec);
}
}
// Spectrum names not matches.
throw new ArgumentException("message", "SpecName");
}
// File names not matches.
throw new ArgumentException("message", "FileName");
}
