public IsotopicEnvelope(IndexedMassSpectralPeak monoisotopicPeak, int chargeState, double intensity, double retentionTime)
{
IndexedPeak = monoisotopicPeak;
ChargeState = chargeState;
Intensity = intensity / chargeState;
RetentionTime = retentionTime;
}
public IsotopeCluster(IndexedMassSpectralPeak monoisotopicPeak, int chargeState, double intensity, double retentionTime)
{
this.indexedPeak = monoisotopicPeak;
this.chargeState = chargeState;
this.isotopeClusterIntensity = intensity / chargeState;
this.retentionTime = retentionTime;
}
public static void TestToString()
{
// many of these are just to check that the ToString methods don't cause crashes
var indexedPeak = new IndexedMassSpectralPeak(1.0, 2.0, 3, 4);
Assert.That(indexedPeak.ToString().Equals("1.000; 4; 3"));
var spectraFile = new SpectraFileInfo("myFullPath", "", 0, 0, 0);
string spectraString = spectraFile.ToString();
var proteinGroup = new ProteinGroup("Accession", "Gene", "Organism");
string pgString = proteinGroup.ToString(new List <SpectraFileInfo> {
spectraFile
});
var identification = new Identification(
spectraFile, "PEPTIDE", "PEPTIDE", 1.0, 2.0, 3,
new List <ProteinGroup> {
proteinGroup
});
string idString = identification.ToString();
var chromPeak = new ChromatographicPeak(identification, false, spectraFile);
string chromPeakString = chromPeak.ToString();
chromPeak.CalculateIntensityForThisFeature(true);
string peakAfterCalculatingIntensity = chromPeak.ToString();
}
public IsotopeCluster(IndexedMassSpectralPeak monoisotopicPeak, int chargeState, double intensity)
{
this.peakWithScan = monoisotopicPeak;
this.chargeState = chargeState;
this.isotopeClusterIntensity = intensity / chargeState;
}
