public FragmentedMolecule GetSimplePrecursorMolecule()
{
if (_precursorMolecule == null)
{
var modifiedSequence = ModifiedSequence.GetModifiedSequence(Settings, Peptide.Sequence, ExplicitMods, LabelType)
.SeverCrosslinks();
_precursorMolecule = FragmentedMolecule.EMPTY.ChangeModifiedSequence(modifiedSequence);
}
return(_precursorMolecule);
}
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);
}
