G4H3O.cc

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// $Id: G4H3O.cc 74551 2013-10-14 12:59:14Z gcosmo $
//
// 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)        ###
// ######################################################################
/*G4ThreadLocal*/ G4H3O* G4H3O::theInstance = 0;

G4H3O* G4H3O::Definition()
{
    if (theInstance !=0) return theInstance;
    const G4String name = "H_{3}O";
    // search in particle table]
    G4ParticleTable* pTable = G4ParticleTable::GetParticleTable();
    G4ParticleDefinition* anInstance = pTable->FindParticle(name);
    if (anInstance ==0)
    {
        // Create molecule
        //        G4MoleculeDefinition(G4String name,
        //                             G4double mass,
        //                             G4int    electronsNumber,
        //                             G4int    electronicLevels,
        //                             G4double diffCoeff,
        //                             G4int atomsNumber = -1,
        //                             G4double radius = -1,
        //                             G4double lifetime = -1,
        //                             G4String aType = "",
        //                             G4MoleculeID ID = G4MoleculeID::Create()
        //                             );

        G4double  mass = 19.02 * g/Avogadro * c_squared ;
        anInstance = new G4MoleculeDefinition(name, mass,
                                              11, 5,
                                              9e-9*(m*m/s),
                                              4, 0.961 * angstrom);

        ((G4MoleculeDefinition*) anInstance)->SetLevelOccupation(0);
        ((G4MoleculeDefinition*) anInstance)->SetLevelOccupation(1);
        ((G4MoleculeDefinition*) anInstance)->SetLevelOccupation(2,4);
        ((G4MoleculeDefinition*) anInstance)->SetLevelOccupation(3);
        ((G4MoleculeDefinition*) anInstance)->SetLevelOccupation(4,1);

    }
    theInstance = reinterpret_cast<G4H3O*>(anInstance);
    return theInstance;
}