private void AddModifications(IEnumerable<StaticMod> mods, ModMasses modMasses)
{
foreach (StaticMod mod in mods)
{
if (mod.AAs == null)
{
if (mod.Terminus != null)
{
double mass = GetModMass('\0', mod); // Not L10N
double unexplainedMass;
string formula = GetModFormula('\0', mod, out unexplainedMass); // Not L10N
if (mod.Terminus == ModTerminus.C)
{
modMasses._massModCleaveC += mass;
modMasses._massModCleaveCExtra += unexplainedMass;
modMasses._massModCleaveCFormula = CombineFormulas(modMasses._massModCleaveCFormula, formula);
}
else
{
modMasses._massModCleaveN += mass;
modMasses._massModCleaveNExtra += unexplainedMass;
modMasses._massModCleaveNFormula = CombineFormulas(modMasses._massModCleaveNFormula, formula);
}
}
else
{
// Label all amino acids with this label
for (char aa = 'A'; aa <= 'Z'; aa++) // Not L10N
{
if (AMINO_FORMULAS[aa] != null)
AddMod(aa, mod, modMasses._aminoModMasses, modMasses._aminoModMassesExtra, modMasses._aminoModFormulas);
}
}
}
else
{
foreach (var aa in mod.AminoAcids)
{
switch (mod.Terminus)
{
default:
AddMod(aa, mod, modMasses._aminoModMasses, modMasses._aminoModMassesExtra, modMasses._aminoModFormulas);
break;
case ModTerminus.N:
AddMod(aa, mod, modMasses._aminoNTermModMasses, modMasses._aminoNTermModMassesExtra, modMasses._aminoNTermModFormulas);
break;
case ModTerminus.C:
AddMod(aa, mod, modMasses._aminoCTermModMasses, modMasses._aminoCTermModMassesExtra, modMasses._aminoCTermModFormulas);
break;
}
}
}
}
}
public void AddHeavyModifications(IEnumerable<StaticMod> mods)
{
var modsArray = mods.ToArray(); // Avoid multiple iteration
AddModifications(modsArray, _modMasses);
_modMassesHeavy = new ModMasses();
AddModifications(modsArray, _modMassesHeavy);
}