G4MoleculeDefinition.cc

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// $Id: G4MoleculeDefinition.cc 74551 2013-10-14 12:59:14Z gcosmo $
//
// ----------------------------------------------------------------------
//      GEANT 4 class implementation file
//
//      21 Oct 2009 first implementation by A. Mantero and M.Karamitros
//                  Based on prototype of A.Mantero
// **********************************************************************


#include "G4MoleculeDefinition.hh"
#include "G4MolecularConfiguration.hh"

using namespace std;

// ######################################################################
// ###                       MoleculeDefinition                       ###
// ######################################################################

G4MoleculeDefinition::G4MoleculeDefinition(const G4String& name,
                                           G4double mass,
                                           G4int    electronsNumber,
                                           G4int    electronicLevels,
                                           G4double diffCoeff,
                                           G4int atomsNumber,
                                           G4double radius,
                                           G4double lifetime,
                                           G4String aType ,
                                           G4MoleculeID ID
                                           ):
    G4ParticleDefinition(name, mass, 0., 0., 0, 0, 0, 0, 0, 0, "Molecule",
                         0, 0, ID, false, lifetime, NULL, false, aType, 0, 0.0),
    fMass(mass),
    fNbOfElectrons(electronsNumber), fNbOfMolecularShells(electronicLevels), fDiffusionCoefficient(diffCoeff),
    fAtomsNb(atomsNumber), fVanDerVaalsRadius(radius)

{
    fElectronOccupancy = new G4ElectronOccupancy(fNbOfMolecularShells);
    fDecayTable = NULL;
}
//___________________________________________________________________________
G4MoleculeDefinition::~G4MoleculeDefinition()
{
    if (fElectronOccupancy)
    {
        delete fElectronOccupancy;
        fElectronOccupancy = 0;
    }
    if (fDecayTable)
    {
        delete fDecayTable;
        fDecayTable = 0;
    }
    // fMolecularConfiguration = 0;
}
//___________________________________________________________________________
void G4MoleculeDefinition::AddeConfToExcitedState(const G4String& exStId,
                                                  const G4ElectronOccupancy& conf,
                                                  double decayTime)
{
    if (!fDecayTable)
    {
        fDecayTable = new G4MolecularDecayTable();
    }
    fDecayTable->AddeConfToExcitedState(exStId, conf);
    G4MolecularConfiguration::GetMolecularConfiguration(this,conf)->SetDecayTime(decayTime);
}
//___________________________________________________________________________
void G4MoleculeDefinition::SetLevelOccupation(G4int shell, G4int eNb)
{
    G4int levelOccupancy = fElectronOccupancy->GetOccupancy(shell);

    if (levelOccupancy)
    {

        fElectronOccupancy->RemoveElectron(shell, levelOccupancy);
    }

    fElectronOccupancy->AddElectron(shell,eNb);

}
//___________________________________________________________________________
void G4MoleculeDefinition::AddExcitedState(const G4String& val)
{
    if (!fDecayTable)
    {
        fDecayTable = new G4MolecularDecayTable();
    }

    fDecayTable->AddExcitedState(val);
}
//___________________________________________________________________________
const G4String& G4MoleculeDefinition::GetExcitedState(const G4ElectronOccupancy* occ) const
{
    if (fDecayTable)
    {
        return fDecayTable->GetExcitedState(occ);
    }
    else
    {
        G4String const errMsg = ": no Excited States and Decays for"+ GetName() + " are defined.";
        G4Exception("G4MoleculeDefinition::GetExcitedState","",FatalErrorInArgument,errMsg);
    }
    return *(new G4String(""));
}
//___________________________________________________________________________
void G4MoleculeDefinition::AddDecayChannel(const G4String& chanId,
                                           const G4MolecularDecayChannel* chan)
{
    if (!fDecayTable)
    {
        fDecayTable = new G4MolecularDecayTable();
    }
    fDecayTable->AddDecayChannel(chanId, chan);
}
//___________________________________________________________________________
const vector<const G4MolecularDecayChannel*>* G4MoleculeDefinition::GetDecayChannels(const G4String& ExState) const
{
    if (fDecayTable)
    {
        const vector<const G4MolecularDecayChannel*>* output = fDecayTable->GetDecayChannels(ExState);
        return output;
    }
    else
    {
        G4String const errMsg = ": no Excited States and Decays for"+ GetName() + " are defined.";
        G4Exception("G4MoleculeDefinition::GetDecayChannels","",FatalErrorInArgument,errMsg);
    }
    return 0;
}
//___________________________________________________________________________
const vector<const G4MolecularDecayChannel*>* G4MoleculeDefinition::GetDecayChannels(const G4ElectronOccupancy* occ) const
{
    if (fDecayTable)
    {
        const vector<const G4MolecularDecayChannel*>* output = fDecayTable->GetDecayChannels(occ);
        return output;
    }
    else
    {
        G4String const errMsg = ": no Excited States and Decays for"+ GetName() + " are defined.";
        G4Exception("G4MoleculeDefinition::GetDecayChannels","",FatalErrorInArgument,errMsg);
    }
    return 0;
}

// Protected

G4MoleculeDefinition::G4MoleculeDefinition(const G4MoleculeDefinition& right):
    G4ParticleDefinition((const G4ParticleDefinition &)right),
    fMass(right.fMass),
    fNbOfElectrons (right.fNbOfElectrons),
    fNbOfMolecularShells(right.fNbOfMolecularShells),
    fDiffusionCoefficient( right.fDiffusionCoefficient),
    fAtomsNb( right.fAtomsNb),
    fVanDerVaalsRadius (right.fVanDerVaalsRadius)
{
    if(right.fElectronOccupancy!=0)
    {
        fElectronOccupancy= new G4ElectronOccupancy(*(right.fElectronOccupancy));
    }
    else fElectronOccupancy = 0;

    if(right.fDecayTable!=0)
    {
        fDecayTable = new G4MolecularDecayTable(*(right.fDecayTable));
    }
    else fDecayTable = 0;
}

//___________________________________________________________________________

const G4MoleculeDefinition & G4MoleculeDefinition::operator=(const G4MoleculeDefinition &right)
{
  if (this != &right)  {
  }
  return *this;
}