public double GetTracerPercent(TracerFormula tracerFormula)
{
if (_maxTracerCount == 0)
{
return(0);
}
return(100.0 * tracerFormula.Dictionary.Values.Sum() / _maxTracerCount);
}
public Molecule MoleculeFromTracerFormula(TracerFormula tracerFormula)
{
Molecule result = _aminoAcidFormulas.GetFormula(Sequence);
foreach (var entry in tracerFormula)
{
var tracerDef = _tracerDefs[entry.Key];
result = result.SetElementCount(
tracerDef.TraceeSymbol, result.GetElementCount(tracerDef.TraceeSymbol) - entry.Value);
result = result.SetElementCount(tracerDef.Name, entry.Value);
}
return(result);
}
private MassDistribution GetMassDistribution(TracerFormula tracerFormula)
{
lock (_massDistributions)
{
MassDistribution massDistribution;
if (_massDistributions.TryGetValue(tracerFormula, out massDistribution))
{
return(massDistribution);
}
var molecule = MoleculeFromTracerFormula(tracerFormula);
massDistribution = _aminoAcidFormulas.GetMassDistribution(molecule, 0);
_massDistributions.Add(tracerFormula, massDistribution);
return(massDistribution);
}
}