public PepXmlModifications(MascotModification mods)
{
var aas = new Aminoacids();
foreach (var mod in mods.StaticModification)
{
var item = new PepXmlModificationItem()
{
IsVariable = false
};
AssignModification(aas, mod, item);
this.Add(item);
}
foreach (var mod in mods.DynamicModification)
{
var item = new PepXmlModificationItem()
{
IsVariable = true,
Symbol = mod.Symbol.ToString()
};
AssignModification(aas, mod, item);
this.Add(item);
}
}
public void TestModificationItem()
{
var strings = new string[]{
"delta1=42.010559,Acetyl (Protein N-term)",
"NeutralLoss1=0.000000",
"delta2=8.014206,Lysine-13C615N2 (K-full) (K)",
"NeutralLoss2=0.000000",
"delta3=15.994919,Oxidation (M)",
"NeutralLoss3=63.998285",
"NeutralLoss3_master=0.000000",
"delta4=79.966324,Phospho (STY)",
"NeutralLoss4=0.000000",
"NeutralLoss4_master=97.976898",
"FixedMod1=57.021465,Carbamidomethyl (C)",
"FixedModResidues1=C"};
var dic = strings.ToDictionary(m => m.Substring(0, m.IndexOf('=')), m => m.Substring(m.IndexOf('=') + 1));
var mm = new MascotModification();
mm.Parse(dic);
Assert.AreEqual(4, mm.DynamicModification.Count);
Assert.AreEqual("42.010559 Acetyl (Protein N-term)", mm.DynamicModification[0].ToString());
Assert.AreEqual("8.014206 Lysine-13C615N2 (K-full) (K)", mm.DynamicModification[1].ToString());
Assert.AreEqual("15.994919 Oxidation (M)", mm.DynamicModification[2].ToString());
Assert.AreEqual("79.966324 Phospho (STY)", mm.DynamicModification[3].ToString());
Assert.AreEqual(1, mm.StaticModification.Count);
Assert.AreEqual("57.021465 Carbamidomethyl (C)", mm.StaticModification[0].ToString());
}
