G4MoleculeDefinition.cc

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// $Id: G4MoleculeDefinition.cc 84858 2014-10-21 16:08:22Z 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"
#include "G4MoleculeTable.hh"

using namespace std;

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

G4MoleculeDefinition::G4MoleculeDefinition(const G4String& name,
                                           G4double mass,
                                           G4double diffCoeff,
                                           G4int charge,
                                           G4int electronicLevels,
                                           G4double radius,
                                           G4int atomsNumber,
                                           G4double lifetime,
                                           G4String aType,
                                           G4FakeParticleID ID) :
    G4ParticleDefinition(name, mass, 0., charge, 0, 0, 0, 0, 0, 0, "Molecule",
                         0, 0, ID, false, lifetime, NULL, false, aType, 0, 0.0),
    fDiffusionCoefficient(diffCoeff),
    fAtomsNb(atomsNumber),
    fVanDerVaalsRadius(radius)

{
  fCharge = charge;
  if (electronicLevels)
  {
    fElectronOccupancy = new G4ElectronOccupancy(electronicLevels);
  }
  else
  {
    fElectronOccupancy = 0;
  }
  fDecayTable = NULL;
  G4MoleculeTable::Instance()->Insert(this);
}

//___________________________________________________________________________
G4MoleculeDefinition::~G4MoleculeDefinition()
{
  if (fElectronOccupancy)
  {
    delete fElectronOccupancy;
    fElectronOccupancy = 0;
  }
  if (fDecayTable)
  {
    delete fDecayTable;
    fDecayTable = 0;
  }
}
//___________________________________________________________________________
void G4MoleculeDefinition::AddeConfToExcitedState(const G4String& exStId,
                                                  const G4ElectronOccupancy& conf,
                                                  double decayTime)
{
  if (!fDecayTable)
  {
    fDecayTable = new G4MolecularDissociationTable();
  }
  fDecayTable->AddeConfToExcitedState(exStId, conf);
  G4MolecularConfiguration::GetMolecularConfiguration(this, conf)->SetDecayTime(
      decayTime);
}
//___________________________________________________________________________
void G4MoleculeDefinition::SetLevelOccupation(G4int shell, G4int eNb)
{
  if (fElectronOccupancy)
  {
    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 G4MolecularDissociationTable();
  }

  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 G4MolecularDissociationChannel* chan)
{
  if (!fDecayTable)
  {
    fDecayTable = new G4MolecularDissociationTable();
  }
  fDecayTable->AddDecayChannel(chanId, chan);
}
//___________________________________________________________________________
const vector<const G4MolecularDissociationChannel*>*
G4MoleculeDefinition::GetDecayChannels(const G4String& ExState) const
{
  if (fDecayTable)
  {
    const vector<const G4MolecularDissociationChannel*>* 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 G4MolecularDissociationChannel*>*
G4MoleculeDefinition::GetDecayChannels(const G4ElectronOccupancy* occ) const
{
  if (fDecayTable)
  {
    const vector<const G4MolecularDissociationChannel*>* 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),
    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 G4MolecularDissociationTable(*(right.fDecayTable));
  }
  else fDecayTable = 0;

  fCharge = right.fCharge;
}

//___________________________________________________________________________

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