75 fPoint->SetNode(
nullptr);
103 G4cout <<
"The user track information is a molecule" <<
G4endl;
118 if (&right ==
this)
return *
this;
138 return !(*
this ==
right);
212 G4int OrbitalToFill) :
221 if (OrbitalToFill != 0)
224 dynElectronOccupancy.AddElectron(OrbitalToFill - 1, 1);
228 if (OrbitalToFill == 0)
230 dynElectronOccupancy.RemoveElectron(OrbitalToFree - 1, 1);
236 moleculeDefinition, dynElectronOccupancy);
242 "G4Molecule::G4Molecule(G4MoleculeDefinition * moleculeDefinition, "
243 "G4int OrbitalToFree, G4int OrbitalToFill)",
244 "G4Molecule_wrong_usage_of_constructor",
246 "If you want to use this constructor, the molecule definition has to be "
247 "first defined with electron occupancies");
267 if (Excitation ==
true)
270 dynElectronOccupancy.AddElectron(5, 1);
274 if (Excitation ==
false)
276 dynElectronOccupancy.RemoveElectron(Level, 1);
282 moleculeDefinition, dynElectronOccupancy);
288 "G4Molecule::G4Molecule(G4MoleculeDefinition * moleculeDefinition, "
289 "G4int OrbitalToFree, G4int OrbitalToFill)",
290 "G4Molecule_wrong_usage_of_constructor",
292 "If you want to use this constructor, the molecule definition has to be "
293 "first defined with electron occupancies");
355 orbitToFree, orbitToFill);
400 "A track was already assigned to this molecule");
409 G4double xMomentum = cos(phi) * sin(theta);
410 G4double yMomentum = sin(theta) * sin(phi);
413 G4ThreeVector MomentumDirection(xMomentum, yMomentum, zMomentum);
472 const vector<const G4MolecularDissociationChannel*>*
572 double temperature)
const
void RemoveElectron(G4int, G4int number=1)
void SetVanDerVaalsRadius(G4double)
const G4MoleculeDefinition * GetDefinition() const
void SetDecayTime(G4double)
void SetLabel(const G4String &label)
const G4String & GetLabel() const
G4DLLIMPORT G4Allocator< G4Molecule > *& aMoleculeAllocator()
G4ThreadLocal/G4double G4Molecule::fgTemperature = 310; // 310*kelvin;
G4double GetDiffusionCoefficient() const
static G4MolecularConfiguration * GetMolecularConfiguration(const G4MoleculeDefinition *, const G4String &label)
static G4Molecule * GetMolecule(const G4Track *)
const G4String & GetName() const
static G4MolecularConfiguration * GetOrCreateMolecularConfiguration(const G4MoleculeDefinition *)
void ExciteMolecule(G4int)
G4double GetDecayTime() const
void MoveOneElectron(G4int, G4int)
G4MolecularConfiguration * RemoveElectron(G4int, G4int number=1)
G4double GetNbElectrons() const
#define G4ThreadLocalStatic
const G4String & GetFormatedName() const
G4int GetFakeParticleID() const
G4double GetVanDerVaalsRadius() const
static constexpr double c_squared
G4MolecularConfiguration * MoveOneElectron(G4int, G4int)
void SetLabel(const G4String &)
G4double GetDecayTime() const
G4double GetKineticEnergy() const
G4int GetFakeParticleID() const
G4int GetAtomsNumber() const
G4bool operator==(const G4Molecule &right) const
void SetDecayTime(G4double)
G4double GetGlobalTime() const
const G4MoleculeDefinition * GetDefinition() const
void AddElectron(G4int orbit, G4int n=1)
const G4ThreeVector & GetPosition() const
void SetDiffusionCoefficient(G4double)
G4MolecularConfiguration * AddElectron(G4int orbit, G4int n=1)
G4int GetAtomsNumber() const
G4Molecule * GetMolecule(const G4Track &track)
void SetDiffusionCoefficient(G4double)
G4MolecularConfiguration * IonizeMolecule(G4int)
const G4String & GetLabel() const
static G4double GetGlobalTemperature()
void G4Exception(const char *originOfException, const char *exceptionCode, G4ExceptionSeverity severity, const char *description)
const std::vector< const G4MolecularDissociationChannel * > * GetDecayChannel() const
void ChangeConfigurationToLabel(const G4String &label)
const G4ElectronOccupancy * GetElectronOccupancy() const
G4double GetDiffusionCoefficient() const
G4Molecule & operator=(const G4Molecule &right)
G4bool operator!=(const G4Molecule &right) const
G4double GetNbElectrons() const
G4int RemoveElectron(G4int orbit, G4int number=1)
G4MolecularConfiguration * fpMolecularConfiguration
static constexpr double k_Boltzmann
G4double GetVanDerVaalsRadius() const
void SetVanDerVaalsRadius(G4double)
void SetElectronOccupancy(const G4ElectronOccupancy *)
G4MolecularConfiguration * ExciteMolecule(G4int)
void IonizeMolecule(G4int)
G4GLOB_DLL std::ostream G4cout
G4int GetMoleculeID() const
G4int GetMoleculeID() const
static constexpr double pi
G4bool operator<(const G4Molecule &right) const
const G4String & GetFormatedName() const
G4Track * BuildTrack(G4double globalTime, const G4ThreeVector &Position)
const G4String & GetName() const
G4IT * GetIT(const G4Track *track)
const std::vector< const G4MolecularDissociationChannel * > * GetDecayChannel() const
void SetUserInformation(G4VUserTrackInformation *aValue) const
const G4ElectronOccupancy * GetGroundStateElectronOccupancy() const
G4double GetDiffusionVelocity() const
G4MolecularConfiguration * GetMolecularConfiguration() const
static G4VMoleculeCounter * Instance()
const G4ElectronOccupancy * GetElectronOccupancy() const