public TransitionLossKey(TransitionGroupDocNode parent, TransitionDocNode transition, TransitionLosses losses)
{
Transition = transition.Transition;
Losses = losses;
if (Transition.IsCustom())
{
if (!string.IsNullOrEmpty(transition.PrimaryCustomIonEquivalenceKey))
{
CustomIonEquivalenceTestValue = transition.PrimaryCustomIonEquivalenceKey;
}
else if (!string.IsNullOrEmpty(transition.SecondaryCustomIonEquivalenceKey))
{
CustomIonEquivalenceTestValue = transition.SecondaryCustomIonEquivalenceKey;
}
else if (Transition.IsNonReporterCustomIon())
{
CustomIonEquivalenceTestValue = @"_mzSortIndex_" + parent.Children.IndexOf(transition);
}
else
{
CustomIonEquivalenceTestValue = null;
}
}
else
{
CustomIonEquivalenceTestValue = null;
}
}
private void SetCustomIonFragmentInfo(SkylineDocumentProto.Types.Transition transitionProto)
{
if (Transition.IsNonReporterCustomIon())
{
transitionProto.Formula = DataValues.ToOptional(Transition.CustomIon.Formula);
if (Transition.CustomIon.AverageMass.IsMassH())
{
transitionProto.AverageMassH = DataValues.ToOptional(Transition.CustomIon.AverageMass);
}
else
{
transitionProto.AverageMass = DataValues.ToOptional(Transition.CustomIon.AverageMass);
}
if (Transition.CustomIon.MonoisotopicMass.IsMassH())
{
transitionProto.MonoMassH = DataValues.ToOptional(Transition.CustomIon.MonoisotopicMass);
}
else
{
transitionProto.MonoMass = DataValues.ToOptional(Transition.CustomIon.MonoisotopicMass);
}
transitionProto.CustomIonName = DataValues.ToOptional(Transition.CustomIon.Name);
transitionProto.MoleculeId = DataValues.ToOptional(Transition.CustomIon.AccessionNumbers.ToString());
}
else
{
transitionProto.MeasuredIonName = DataValues.ToOptional(Transition.CustomIon.Name);
}
}