G4H3O.cc

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//
// Author: Mathieu Karamitors 
//
// History:
// -----------
// 10 Oct 2011 M.Karamitros created
//
// -------------------------------------------------------------------
 
#include "G4H3O.hh"
#include "G4PhysicalConstants.hh"
#include "G4SystemOfUnits.hh"
#include "G4ParticleTable.hh"
 
// ######################################################################
// ###                         H3O                                    ###
// ###          oxonium is the usual name for H3O+ (hydronium)        ###
// ######################################################################
G4H3O* G4H3O::theInstance = nullptr;
 
G4H3O* G4H3O::Definition()
{
  if (theInstance != nullptr) return theInstance;
  const G4String name = "H3O";
  // search in particle table]
  G4ParticleTable* pTable = G4ParticleTable::GetParticleTable();
  G4ParticleDefinition* anInstance = pTable->FindParticle(name);
  if (anInstance == nullptr)
  {
    const G4String formatedName = "H_{3}O";
 
    // create molecule
    //
    //      G4MoleculeDefinition(const G4String& name,
    //          G4double mass,
    //          G4double diffCoeff,
    //          G4int    charge = 0,
    //          G4int    electronicLevels = 0,
    //          G4double radius = -1,
    //          G4int    atomsNumber = -1,
    //          G4double lifetime = -1,
    //          G4String aType = "",
    //          G4FakeParticleID ID = G4FakeParticleID::Create()
    //      );
 
    ///Actually, neutral H3O does exist
    G4double mass = 19.02 * g / Avogadro * c_squared;
    anInstance = new G4MoleculeDefinition(name, mass, 9e-9 * (m * m / s), 1, // charge
                                          5, // nb of occupancies
                                          0.961 * angstrom, // radius
                                          4 // nb of atoms
                                          );
 
    ((G4MoleculeDefinition*) anInstance)->SetLevelOccupation(0);
    ((G4MoleculeDefinition*) anInstance)->SetLevelOccupation(1);
    ((G4MoleculeDefinition*) anInstance)->SetLevelOccupation(2, 4);
    ((G4MoleculeDefinition*) anInstance)->SetLevelOccupation(3);
    ((G4MoleculeDefinition*) anInstance)->SetLevelOccupation(4, 1);
    ((G4MoleculeDefinition*) anInstance)->SetFormatedName(formatedName);
  }
  theInstance = static_cast<G4H3O*>(anInstance);
  return theInstance;
}