Geant4 11.2.2
Toolkit for the simulation of the passage of particles through matter
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#include <G4Molecule.hh>
Static Public Member Functions | |
static G4Molecule * | GetMolecule (const G4Track *) |
Additional Inherited Members | |
Protected Member Functions inherited from G4IT | |
G4IT (const G4IT &) | |
G4IT & | operator= (const G4IT &) |
Protected Attributes inherited from G4IT | |
G4Track * | fpTrack |
Protected Attributes inherited from G4VUserTrackInformation | |
G4String * | pType = nullptr |
Class Description The dynamic molecule holds all the data that change for a molecule It has a pointer to G4MoleculeDefinition object, which holds all the "ground level" information.
Definition at line 98 of file G4Molecule.hh.
G4Molecule::G4Molecule | ( | const G4Molecule & | right | ) |
Definition at line 102 of file G4Molecule.cc.
Referenced by G4Molecule(), G4Molecule(), G4Molecule(), G4Molecule(), G4Molecule(), and G4Molecule().
G4Molecule::G4Molecule | ( | G4MoleculeDefinition * | pMoleculeDefinition | ) |
To build a molecule at ground state according to a given G4MoleculeDefinition that can be obtained from G4GenericMoleculeManager
Build a molecule at ground state according to a given G4MoleculeDefinition that can be obtained from G4GenericMoleculeManager
Definition at line 173 of file G4Molecule.cc.
G4Molecule::G4Molecule | ( | G4MoleculeDefinition * | pMoleculeDefinition, |
int | charge ) |
Definition at line 181 of file G4Molecule.cc.
G4Molecule::G4Molecule | ( | G4MoleculeDefinition * | pMoleculeDefinition, |
G4int | OrbitalToFree, | ||
G4int | OrbitalToFill ) |
To build a molecule at a specific excitation/ionisation state according to a ground state that can be obtained from G4GenericMoleculeManager
Build a molecule at a specific excitation/ionisation state according to a ground state that can be obtained from G4GenericMoleculeManager. Put 0 in the second option if this is a ionisation.
Definition at line 192 of file G4Molecule.cc.
G4Molecule::G4Molecule | ( | G4MoleculeDefinition * | pMoleculeDefinition, |
G4int | level, | ||
G4bool | excitation ) |
Specific builder for water molecules to be used in Geant4-DNA, the last option Excitation is true if the molecule is excited, is false is the molecule is ionized.
Definition at line 236 of file G4Molecule.cc.
G4Molecule::G4Molecule | ( | const G4MolecularConfiguration * | pMolecularConfiguration | ) |
Definition at line 275 of file G4Molecule.cc.
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override |
Definition at line 153 of file G4Molecule.cc.
Add n electrons to a given orbit. Note : You can add as many electrons to a given orbit, the result may be unrealist.
Definition at line 305 of file G4Molecule.cc.
G4Track * G4Molecule::BuildTrack | ( | G4double | globalTime, |
const G4ThreeVector & | Position ) |
Definition at line 363 of file G4Molecule.cc.
void G4Molecule::ChangeConfigurationToLabel | ( | const G4String & | label | ) |
Definition at line 536 of file G4Molecule.cc.
void G4Molecule::ExciteMolecule | ( | G4int | excitationLevel | ) |
Method used in Geant4-DNA to excite water molecules
Definition at line 291 of file G4Molecule.cc.
G4int G4Molecule::GetAtomsNumber | ( | ) | const |
Returns the nomber of atoms compouning the molecule
Definition at line 342 of file G4Molecule.cc.
G4int G4Molecule::GetCharge | ( | ) | const |
Returns the charge of molecule.
Definition at line 478 of file G4Molecule.cc.
G4double G4Molecule::GetDecayTime | ( | ) | const |
Returns the decay time of the molecule.
Definition at line 464 of file G4Molecule.cc.
Referenced by G4DNAMolecularDissociation::GetMeanLifeTime().
const G4MoleculeDefinition * G4Molecule::GetDefinition | ( | ) | const |
Get molecule definition. This G4MoleculeDefinition has the ground electronic state of the molecule.
Definition at line 499 of file G4Molecule.cc.
G4double G4Molecule::GetDiffusionCoefficient | ( | ) | const |
Returns the diffusion coefficient D.
Definition at line 506 of file G4Molecule.cc.
Referenced by G4DNABrownianTransportation::AlongStepGetPhysicalInteractionLength(), G4DNABrownianTransportation::ComputeStep(), and G4DNAIRT::Sampling().
G4double G4Molecule::GetDiffusionCoefficient | ( | const G4Material * | pMaterial, |
double | temperature ) const |
Returns the diffusion coefficient D.
Definition at line 513 of file G4Molecule.cc.
G4double G4Molecule::GetDiffusionVelocity | ( | ) | const |
Definition at line 418 of file G4Molecule.cc.
Referenced by GetKineticEnergy().
const vector< const G4MolecularDissociationChannel * > * G4Molecule::GetDissociationChannels | ( | ) | const |
Definition at line 443 of file G4Molecule.cc.
const G4ElectronOccupancy * G4Molecule::GetElectronOccupancy | ( | ) | const |
Returns the object ElectronOccupancy describing the electronic configuration of the molecule.
Definition at line 492 of file G4Molecule.cc.
G4int G4Molecule::GetFakeParticleID | ( | ) | const |
Definition at line 450 of file G4Molecule.cc.
const G4String & G4Molecule::GetFormatedName | ( | ) | const |
Returns the formated name of the molecule
Definition at line 335 of file G4Molecule.cc.
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inlineoverridevirtual |
G4double G4Molecule::GetKineticEnergy | ( | ) | const |
Definition at line 406 of file G4Molecule.cc.
Referenced by BuildTrack().
const G4String & G4Molecule::GetLabel | ( | ) | const |
Returns the label of the molecule configuration
Definition at line 529 of file G4Molecule.cc.
G4double G4Molecule::GetMass | ( | ) | const |
Returns the total mass of the molecule.
Definition at line 485 of file G4Molecule.cc.
const G4MolecularConfiguration * G4Molecule::GetMolecularConfiguration | ( | ) | const |
Definition at line 522 of file G4Molecule.cc.
Referenced by G4DiffusionControlledReactionModel::GetTimeToEncounter(), G4DNAIRT::MakeReaction(), G4DNAMakeReaction::MakeReaction(), G4DNAMolecularReaction::MakeReaction(), G4DNAScavengerProcess::PostStepDoIt(), G4DNAScavengerProcess::PostStepGetPhysicalInteractionLength(), G4DNASecondOrderReaction::PostStepGetPhysicalInteractionLength(), G4DNAIRT::Sampling(), G4DNAMolecularReaction::TestReactibility(), G4DNAMakeReaction::UpdatePositionForReaction(), and G4DNAEventScheduler::Voxelizing().
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static |
Definition at line 88 of file G4Molecule.cc.
Referenced by G4DNAIRT::Sampling().
G4int G4Molecule::GetMoleculeID | ( | ) | const |
Definition at line 457 of file G4Molecule.cc.
Referenced by GetITSubType(), and operator int().
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overridevirtual |
Returns the name of the molecule
Implements G4IT.
Definition at line 328 of file G4Molecule.cc.
Referenced by G4DNAIndependentReactionTimeStepper::CalculateStep(), G4DNAIRTMoleculeEncounterStepper::CalculateStep(), G4DNAMoleculeEncounterStepper::CalculateStep(), G4DNABrownianTransportation::ComputeStep(), G4DNABrownianTransportation::Diffusion(), G4DNABrownianTransportation::PostStepDoIt(), G4DNAScavengerProcess::PostStepDoIt(), G4DNASecondOrderReaction::PostStepDoIt(), G4DNAIndirectHit::Print(), and G4DNAMakeReaction::UpdatePositionForReaction().
G4double G4Molecule::GetNbElectrons | ( | ) | const |
Returns the number of electron.
Definition at line 349 of file G4Molecule.cc.
G4double G4Molecule::GetVanDerVaalsRadius | ( | ) | const |
Definition at line 471 of file G4Molecule.cc.
void G4Molecule::IonizeMolecule | ( | G4int | ionizationLevel | ) |
Method used in Geant4-DNA to ionize water molecules
Definition at line 298 of file G4Molecule.cc.
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override |
Move one electron from an orbit to another.
Definition at line 320 of file G4Molecule.cc.
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inline |
Definition at line 313 of file G4Molecule.hh.
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inline |
Definition at line 125 of file G4Molecule.hh.
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inline |
Definition at line 302 of file G4Molecule.hh.
G4bool G4Molecule::operator!= | ( | const G4Molecule & | right | ) | const |
Definition at line 127 of file G4Molecule.cc.
G4bool G4Molecule::operator< | ( | const G4Molecule & | right | ) | const |
The two methods below are the most called of the simulation : compare molecules in the MoleculeStackManager or in the InteractionTable
Definition at line 138 of file G4Molecule.cc.
G4Molecule & G4Molecule::operator= | ( | const G4Molecule & | right | ) |
Definition at line 111 of file G4Molecule.cc.
G4bool G4Molecule::operator== | ( | const G4Molecule & | right | ) | const |
Definition at line 120 of file G4Molecule.cc.
void G4Molecule::PrintState | ( | ) | const |
Show the electronic state of the molecule.
Definition at line 356 of file G4Molecule.cc.
Remove n electrons to a given orbit.
Definition at line 312 of file G4Molecule.cc.
void G4Molecule::SetDecayTime | ( | G4double | ) |
Set the decay time of the molecule.
void G4Molecule::SetDiffusionCoefficient | ( | G4double | ) |
Sets the diffusion coefficient D of the molecule used in diffusion processes to calculate the mean square jump distance between two changes of direction. In three dimension : <x^2> = 6 D t where t is the mean jump time between two changes of direction.
void G4Molecule::SetElectronOccupancy | ( | const G4ElectronOccupancy * | pElectronOcc | ) |
Will set up the correct molecularConfiguration given an electron configuration
Definition at line 282 of file G4Molecule.cc.
void G4Molecule::SetLabel | ( | const G4String & | label | ) |
void G4Molecule::SetMass | ( | G4double | ) |
Set the total mass of the molecule.
void G4Molecule::SetVanDerVaalsRadius | ( | G4double | ) |
The Van Der Valls Radius of the molecule