public static double CalcMonoisotopicMass(string sequence, PeptideModificationState varMod, Modification[] fixMod)
{
double result = AminoAcid.CalcMonoisotopicMass(sequence) + varMod.GetDeltaMass();
foreach (char c in sequence)
{
result += GetDeltaFixed(c, fixMod);
}
return(result);
}
public double CalcMass(string sequence, string[] fixedModifications)
{
Peptide peptide = new Peptide(sequence);
peptide.ApplyFixedModifications(Tables.ToModifications(fixedModifications));
double result = peptide.MonoIsotopicMass;
result += labelModifications.GetDeltaMass();
result += trueModifications.GetDeltaMass();
return(result);
}