public SrmTransition(FragmentIon fragment, double ce, double?dp, double rtWindow, int precursorCharge, int charge)
{
_fragment = fragment;
CollisionEnergy = ce;
DeclusteringPotential = dp;
RetentionTimeWindow = rtWindow;
PrecursorCharge = precursorCharge;
Charge = charge;
}
public SrmTransition GetModel(PepV01 peptide)
{
int offset = FragmentIon.OrdinalToOffset(FragmentType,
FragmentOrdinal, peptide.Length);
double mh = NeutralMass + BioMassCalc.MassProton;
FragmentIon fragment = new FragmentIon(peptide, FragmentType, offset, mh);
double start = StartRT ?? 0;
double stop = StopRT ?? 0;
return(new SrmTransition(fragment, CollisionEnergy,
DeclusteringPotential, start - stop,
PrecursorCharge, ProductCharge));
}
public override bool Equals(object obj)
{
if (ReferenceEquals(this, obj))
{
return(true);
}
FragmentIon ion = obj as FragmentIon;
return(ion != null &&
ion.IType == IType &&
ion.CleavageOffset == CleavageOffset &&
Equals(ion._peptide, _peptide));
}
public SrmTransition(FragmentIon fragment, double ce, double? dp, double rtWindow, int precursorCharge, int charge)
{
_fragment = fragment;
CollisionEnergy = ce;
DeclusteringPotential = dp;
RetentionTimeWindow = rtWindow;
PrecursorCharge = precursorCharge;
Charge = charge;
}
public SrmTransition GetModel(PepV01 peptide)
{
int offset = FragmentIon.OrdinalToOffset(FragmentType,
FragmentOrdinal, peptide.Length);
double mh = NeutralMass + BioMassCalc.MassProton;
FragmentIon fragment = new FragmentIon(peptide, FragmentType, offset, mh);
double start = StartRT ?? 0;
double stop = StopRT ?? 0;
return new SrmTransition(fragment, CollisionEnergy,
DeclusteringPotential, start - stop,
PrecursorCharge, ProductCharge);
}