//public static AtomWithOrbitals FromStableIsotope(ElementName element)
//{
// var isotope = IsotopeTable.GetStableIsotopeOf(element).FirstOrDefault();
// if (isotope == null)
// throw new ChemistryException($"No stable isotope known for {element}");
// return new AtomWithOrbitals(isotope.Protons, isotope.Neutrons);
//}
private void PopulateOrbitalsInGroundState()
{
if (Orbitals.Any(o => !o.IsEmpty))
{
throw new InvalidOperationException("Population of orbits only implemented for all orbits being empty");
}
var energySortedOrbitals = Orbitals.ToLookup(OrbitalComparer.CalculateOrbitalOrder);
var energyGroups = energySortedOrbitals.Select(x => x.Key).Distinct().OrderBy(x => x);
var electronCount = 0;
foreach (var energyGroup in energyGroups)
{
var energyEqualOrbitals = energySortedOrbitals[energyGroup].ToList();
// Add first electron
foreach (var energyEqualOrbital in energyEqualOrbitals)
{
var electron = new Electron();
energyEqualOrbital.AddElectron(electron);
electronCount++;
if (electronCount == Protons)
{
break;
}
}
if (electronCount == Protons)
{
break;
}
// Add second electron
foreach (var energyEqualOrbital in energyEqualOrbitals)
{
var electron = new Electron();
energyEqualOrbital.AddElectron(electron);
electronCount++;
if (electronCount == Protons)
{
break;
}
}
if (electronCount == Protons)
{
break;
}
}
}
public MShell(IElement element) : base(element)
{
Orbitals.Add(new s_OrbitalGroup(this));
Orbitals.Add(new p_OrbitalGroup(this));
Orbitals.Add(new d_OrbitalGroup(this));
}