public static double[] GetBSeries(string sequence, PeptideModificationState fixedMods,
PeptideModificationState varMods)
{
double m = MolUtil.BIonMassOffset;
if (fixedMods.GetNTermModification() != ushort.MaxValue)
{
Modification mod = Tables.modificationList[fixedMods.GetNTermModification()];
m += mod.DeltaMass;
}
if (varMods.GetNTermModification() != ushort.MaxValue)
{
Modification mod = Tables.modificationList[varMods.GetNTermModification()];
m += mod.DeltaMass;
}
double[] masses = new double[sequence.Length - 1];
for (int i = 0; i < masses.Length; i++)
{
m += AminoAcid.aaMonoMasses[sequence[i]];
if (fixedMods.GetModificationAt(i) != ushort.MaxValue)
{
Modification mod = Tables.modificationList[fixedMods.GetModificationAt(i)];
m += mod.DeltaMass;
}
if (varMods.GetModificationAt(i) != ushort.MaxValue)
{
Modification mod = Tables.modificationList[varMods.GetModificationAt(i)];
m += mod.DeltaMass;
}
masses[i] = m;
}
return(masses);
}
public override bool Equals(object anObject)
{
if (this == anObject)
{
return(true);
}
if (anObject is PeptideModificationState)
{
PeptideModificationState other = (PeptideModificationState)anObject;
if (other.GetNTermModification() != GetNTermModification())
{
return(false);
}
if (other.GetCTermModification() != GetCTermModification())
{
return(false);
}
if (other.Length != Length)
{
return(false);
}
for (int i = 0; i < Length; i++)
{
if (other.GetModificationAt(i) != GetModificationAt(i))
{
return(false);
}
}
return(true);
}
return(false);
}