Esempio n. 1
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 public static AminoAcid GetAminoAcidFromLabel(SilacLabel label)
 {
     if (labelList.ContainsKey(label))
     {
         return(labelList[label]);
     }
     throw new Exception("Label is not in label list: " + label);
 }
Esempio n. 2
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 public Molecule GetLabelingDiff2(SilacLabel silacLabel)
 {
     for (int i = 0; i < labels.Count; i++)
     {
         if (labels[i] == silacLabel)
         {
             return(labelingDiffMolecule2[i]);
         }
     }
     throw new Exception("Label is not in label list: " + silacLabel);
 }
Esempio n. 3
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        private void AddLabeling(string formula, string mascotName, string shortName)
        {
            labelingFormula.Add(formula);
            SilacLabel silacLabel = new SilacLabel(shortName, mascotName);

            labels.Add(silacLabel);
            Molecule[] x = GetDifferences(this, new Molecule(formula));
            labelingDiffMolecule1.Add(x[0]);
            labelingDiffMolecule2.Add(x[1]);
            labelList.Add(silacLabel, this);
        }
Esempio n. 4
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 public double GetLabelingMassDiff(SilacLabel silacLabel)
 {
     return(GetLabelingDiff2(silacLabel).GetMostLikelyMass(0.2)
            - GetLabelingDiff1(silacLabel).GetMostLikelyMass(0.2));
 }
Esempio n. 5
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 public static string GetMascotModificationStringForLabel(SilacLabel label)
 {
     return(label.MascotName);
 }