public AtomWithOrbitals(int protons, int neutrons)
: base(protons, neutrons)
{
Orbitals = OrbitalGenerator.Generate(this, Period + 1);
FormalCharge = (Protons - Electrons.Count()) * PhysicalConstants.ElementaryCharge;
EffectiveCharge = FormalCharge;
PopulateOrbitalsInGroundState();
ExcitateForMaximalBondAvailability();
}
public void AddBondElectron(Electron electron)
{
if (IsFull)
{
throw new ChemistryException("Adding a third electron to an orbital is forbidden");
}
if (IsEmpty)
{
throw new ChemistryException("Adding a bond electron to an empty orbital sounds like an error...");
}
var existingElectron = Electrons[0];
if (existingElectron.Spin == electron.Spin)
{
electron.Spin = existingElectron.Spin.Invert();
}
Electrons.Add(electron);
}
public Electron RemoveElectron()
{
if (!Electrons.Any())
{
throw new ChemistryException("Cannot remove electron from empty orbital");
}
var downSpinElectron = Electrons.SingleOrDefault(e => e.Spin == SpinType.Down);
if (downSpinElectron != null)
{
Electrons.Remove(downSpinElectron);
downSpinElectron.AssociatedOrbital = null;
return(downSpinElectron);
}
var upSpinElectron = Electrons[0];
Electrons.Remove(upSpinElectron);
upSpinElectron.AssociatedOrbital = null;
return(upSpinElectron);
}
public void AddElectron(Electron electron)
{
if (IsFull)
{
throw new ChemistryException("Adding a third electron to an orbital is forbidden");
}
if (electron.AssociatedOrbital != null)
{
throw new ChemistryException("Cannot add electron to orbital which is already associated to another orbital");
}
if (!IsEmpty)
{
var existingElectron = Electrons[0];
if (existingElectron.Spin == electron.Spin)
{
electron.Spin = existingElectron.Spin.Invert();
}
}
Electrons.Add(electron);
electron.AssociatedOrbital = this;
}
public void BreakBond()
{
Electrons.RemoveAll(electron => !ReferenceEquals(electron.AssociatedOrbital, this));
Electrons.ForEach(e => e.AssociatedBond = null);
AssociatedBond = null;
}
