public MoleculeMassOffset SubtractLosses(MoleculeMassOffset moleculeMassOffset, TransitionLosses transitionLosses)
{
if (transitionLosses == null)
{
return(moleculeMassOffset);
}
foreach (var loss in transitionLosses.Losses)
{
moleculeMassOffset = moleculeMassOffset.Minus(FragmentedMolecule.ToMoleculeMassOffset(loss.Loss));
}
return(moleculeMassOffset);
}
public static Molecule AddFragmentLosses(Molecule molecule, IList <FragmentLoss> fragmentLosses,
MassType massType, ref double unexplainedMass)
{
MoleculeMassOffset moleculeMassOffset = new MoleculeMassOffset(molecule, unexplainedMass, unexplainedMass);
foreach (var fragmentLoss in fragmentLosses)
{
moleculeMassOffset = moleculeMassOffset.Minus(ToMoleculeMassOffset(fragmentLoss));
}
if (massType.IsMonoisotopic())
{
unexplainedMass = moleculeMassOffset.MonoMassOffset;
}
else
{
unexplainedMass = moleculeMassOffset.AverageMassOffset;
}
return(moleculeMassOffset.Molecule);
}
