Geant4  10.03
G4MolecularConfiguration Class Reference

The pointer G4MolecularConfiguration will be shared by all the molecules having the same molecule definition and the same electron occupancy BE CAREFUlL !!! : If you change the mass for instance of a OH^-, this will affect all the OH^- molecule diffusing around. More...

#include <G4MolecularConfiguration.hh>

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Classes

class  G4MolecularConfigurationManager
 

Public Types

typedef std::function< double(const
G4Material *, double, const
G4MolecularConfiguration *)> 
G4DiffCoeffParam
 

Public Member Functions

void AddDiffCoeffParameterization (const G4DiffCoeffParam &)
 
const G4MoleculeDefinitionGetDefinition () const
 
const G4StringGetName () const
 Returns the name of the molecule. More...
 
const G4StringGetFormatedName () const
 Returns the formated name of the molecule. More...
 
G4int GetAtomsNumber () const
 Returns the nomber of atoms compouning the molecule. More...
 
G4MolecularConfigurationExciteMolecule (G4int)
 Method used in Geant4-DNA to excite water molecules. More...
 
G4MolecularConfigurationIonizeMolecule (G4int)
 Method used in Geant4-DNA to ionize water molecules. More...
 
G4MolecularConfigurationAddElectron (G4int orbit, G4int n=1)
 Add n electrons to a given orbit. More...
 
G4MolecularConfigurationRemoveElectron (G4int, G4int number=1)
 Remove n electrons to a given orbit. More...
 
G4MolecularConfigurationMoveOneElectron (G4int, G4int)
 Move one electron from an orbit to another. More...
 
G4double GetNbElectrons () const
 Returns the number of electron. More...
 
void PrintState () const
 Display the electronic state of the molecule. More...
 
const std::vector< const
G4MolecularDissociationChannel * > * 
GetDecayChannel () const
 
G4int GetFakeParticleID () const
 
G4int GetMoleculeID () const
 
void 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. More...
 
G4double GetDiffusionCoefficient () const
 Returns the diffusion coefficient D. More...
 
G4double GetDiffusionCoefficient (const G4Material *, double temperature) const
 
void SetDecayTime (G4double)
 Set the decay time of the molecule. More...
 
G4double GetDecayTime () const
 Returns the decay time of the molecule. More...
 
void SetVanDerVaalsRadius (G4double)
 The Van Der Valls Radius of the molecule. More...
 
G4double GetVanDerVaalsRadius () const
 
const G4ElectronOccupancyGetElectronOccupancy () const
 Returns the object ElectronOccupancy describing the electronic configuration of the molecule. More...
 
G4int GetCharge () const
 Returns the charge of molecule. More...
 
void SetMass (G4double)
 Set the total mass of the molecule. More...
 
G4double GetMass () const
 Returns the total mass of the molecule. More...
 
void SetLabel (const G4String &)
 
const G4StringGetLabel () const
 
void Finalize ()
 
const G4StringGetUserID () const
 
void Serialize (std::ostream &)
 
void Unserialize (std::istream &)
 

Static Public Member Functions

static G4MolecularConfigurationGetOrCreateMolecularConfiguration (const G4MoleculeDefinition *)
 
static G4MolecularConfigurationGetOrCreateMolecularConfiguration (const G4MoleculeDefinition *, const G4ElectronOccupancy &eOcc)
 
static G4MolecularConfigurationGetOrCreateMolecularConfiguration (const G4MoleculeDefinition *, int charge)
 
static G4MolecularConfigurationCreateMolecularConfiguration (const G4String &userIdentifier, const G4MoleculeDefinition *, bool &wasAlreadyCreated)
 
static G4MolecularConfigurationCreateMolecularConfiguration (const G4String &userIdentifier, const G4MoleculeDefinition *, const G4String &label, const G4ElectronOccupancy &eOcc, bool &wasAlreadyCreated)
 
static G4MolecularConfigurationCreateMolecularConfiguration (const G4String &userIdentifier, const G4MoleculeDefinition *, int charge, const G4String &label, bool &wasAlreadyCreated)
 
static G4MolecularConfigurationCreateMolecularConfiguration (const G4String &userIdentifier, const G4MoleculeDefinition *, const G4String &label, bool &wasAlreadyCreated)
 
static G4MolecularConfigurationGetMolecularConfiguration (const G4MoleculeDefinition *, const G4String &label)
 
static G4MolecularConfigurationGetMolecularConfiguration (int moleculeID)
 
static G4MolecularConfigurationGetMolecularConfiguration (const G4String &userID)
 
static int GetNumberOfSpecies ()
 
static std::map< G4String,
G4MolecularConfiguration * > & 
GetUserIDTable ()
 
static void DeleteManager ()
 
static double DiffCoeffWater (double temperature_K)
 
static void FinalizeAll ()
 
static void SetGlobalTemperature (G4double)
 
static G4double GetGlobalTemperature ()
 
static G4MolecularConfigurationLoad (std::istream &)
 

Protected Member Functions

 G4MolecularConfiguration (const G4MoleculeDefinition *, const G4ElectronOccupancy &, const G4String &label="")
 
 G4MolecularConfiguration (const G4MoleculeDefinition *, int charge)
 
 G4MolecularConfiguration (const G4MoleculeDefinition *, const G4String &label, int charge)
 
 G4MolecularConfiguration (std::istream &)
 
 G4MolecularConfiguration (const G4MolecularConfiguration &)
 
G4MolecularConfigurationoperator= (G4MolecularConfiguration &right)
 
 ~G4MolecularConfiguration ()
 
G4MolecularConfigurationChangeConfiguration (const G4ElectronOccupancy &newElectronOccupancy)
 
G4MolecularConfigurationChangeConfiguration (int charge)
 
void CheckElectronOccupancy (const char *line) const
 
void MakeExceptionIfFinalized ()
 
void SetUserID (const G4String &userID)
 
void CreateDefaultDiffCoeffParam ()
 

Static Protected Member Functions

static void ScaleAllDiffusionCoefficientsOnWater (double temperature_K)
 
static
G4MolecularConfigurationManager
GetManager ()
 
static double ReturnDefaultDiffCoeff (const G4Material *, double, const G4MolecularConfiguration *molConf)
 

Protected Attributes

const G4MoleculeDefinitionfMoleculeDefinition
 
const G4ElectronOccupancyfElectronOccupancy
 
G4StringfLabel
 
G4double fDynDiffusionCoefficient
 
G4double fDynVanDerVaalsRadius
 
G4double fDynDecayTime
 
G4double fDynMass
 
G4int fDynCharge
 
G4int fMoleculeID
 
G4String fFormatedName
 
G4String fName
 
G4String fUserIdentifier
 
G4bool fIsFinalized
 
G4DiffCoeffParam fDiffParam
 

Static Protected Attributes

static
G4MolecularConfigurationManager
fgManager = 0
 
static double fgTemperature = 298
 

Detailed Description

The pointer G4MolecularConfiguration will be shared by all the molecules having the same molecule definition and the same electron occupancy BE CAREFUlL !!! : If you change the mass for instance of a OH^-, this will affect all the OH^- molecule diffusing around.

Definition at line 98 of file G4MolecularConfiguration.hh.

Member Typedef Documentation

Constructor & Destructor Documentation

G4MolecularConfiguration::G4MolecularConfiguration ( const G4MoleculeDefinition moleculeDef,
const G4ElectronOccupancy elecOcc,
const G4String label = "" 
)
protected

Definition at line 438 of file G4MolecularConfiguration.cc.

References G4UIcommand::ConvertToString(), fName, G4MoleculeDefinition::GetCharge(), G4MoleculeDefinition::GetNbElectrons(), and ReturnDefaultDiffCoeff().

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G4MolecularConfiguration::G4MolecularConfiguration ( const G4MoleculeDefinition moleculeDef,
int  charge 
)
protected

Definition at line 491 of file G4MolecularConfiguration.cc.

References G4UIcommand::ConvertToString(), fName, G4MoleculeDefinition::GetMass(), and ReturnDefaultDiffCoeff().

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G4MolecularConfiguration::G4MolecularConfiguration ( const G4MoleculeDefinition moleculeDef,
const G4String label,
int  charge 
)
protected

Definition at line 80 of file G4MolecularConfiguration.cc.

References G4UIcommand::ConvertToString(), fName, and ReturnDefaultDiffCoeff().

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G4MolecularConfiguration::G4MolecularConfiguration ( std::istream &  in)
protected

Definition at line 1444 of file G4MolecularConfiguration.cc.

G4MolecularConfiguration::G4MolecularConfiguration ( const G4MolecularConfiguration )
protected
G4MolecularConfiguration::~G4MolecularConfiguration ( )
protected

Definition at line 527 of file G4MolecularConfiguration.cc.

Member Function Documentation

void G4MolecularConfiguration::AddDiffCoeffParameterization ( const G4DiffCoeffParam para)
inline

Definition at line 586 of file G4MolecularConfiguration.hh.

G4MolecularConfiguration * G4MolecularConfiguration::AddElectron ( G4int  orbit,
G4int  n = 1 
)

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 636 of file G4MolecularConfiguration.cc.

References G4ElectronOccupancy::AddElectron().

Referenced by G4Molecule::AddElectron().

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G4MolecularConfiguration * G4MolecularConfiguration::ChangeConfiguration ( const G4ElectronOccupancy newElectronOccupancy)
protected

Definition at line 545 of file G4MolecularConfiguration.cc.

References GetMolecularConfiguration().

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G4MolecularConfiguration * G4MolecularConfiguration::ChangeConfiguration ( int  charge)
protected

Definition at line 562 of file G4MolecularConfiguration.cc.

References GetMolecularConfiguration().

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void G4MolecularConfiguration::CheckElectronOccupancy ( const char *  line) const
protected

Definition at line 824 of file G4MolecularConfiguration.cc.

References FatalErrorInArgument, and G4Exception().

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void G4MolecularConfiguration::CreateDefaultDiffCoeffParam ( )
protected

Definition at line 1516 of file G4MolecularConfiguration.cc.

References ReturnDefaultDiffCoeff().

Referenced by Finalize().

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G4MolecularConfiguration * G4MolecularConfiguration::CreateMolecularConfiguration ( const G4String userIdentifier,
const G4MoleculeDefinition molDef,
bool &  wasAlreadyCreated 
)
static

Definition at line 1099 of file G4MolecularConfiguration.cc.

References FatalErrorInArgument, fUserIdentifier, G4Exception(), G4MoleculeDefinition::GetCharge(), GetDefinition(), G4MoleculeDefinition::GetGroundStateElectronOccupancy(), GetMolecularConfiguration(), G4MoleculeDefinition::GetName(), and JustWarning.

Referenced by G4MoleculeTable::CreateConfiguration(), G4MoleculeDefinition::NewConfiguration(), and G4MoleculeDefinition::NewConfigurationWithElectronOccupancy().

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G4MolecularConfiguration * G4MolecularConfiguration::CreateMolecularConfiguration ( const G4String userIdentifier,
const G4MoleculeDefinition molDef,
const G4String label,
const G4ElectronOccupancy eOcc,
bool &  wasAlreadyCreated 
)
static

Definition at line 1246 of file G4MolecularConfiguration.cc.

References FatalErrorInArgument, fLabel, fUserIdentifier, G4Exception(), GetElectronOccupancy(), GetMolecularConfiguration(), G4MoleculeDefinition::GetName(), PrintState(), and SetLabel().

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G4MolecularConfiguration * G4MolecularConfiguration::CreateMolecularConfiguration ( const G4String userIdentifier,
const G4MoleculeDefinition molDef,
int  charge,
const G4String label,
bool &  wasAlreadyCreated 
)
static

Definition at line 1006 of file G4MolecularConfiguration.cc.

References FatalErrorInArgument, fLabel, fUserIdentifier, G4Exception(), GetLabel(), GetMolecularConfiguration(), G4MoleculeDefinition::GetName(), JustWarning, and SetLabel().

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G4MolecularConfiguration * G4MolecularConfiguration::CreateMolecularConfiguration ( const G4String userIdentifier,
const G4MoleculeDefinition molDef,
const G4String label,
bool &  wasAlreadyCreated 
)
static

Definition at line 1180 of file G4MolecularConfiguration.cc.

References FatalErrorInArgument, fLabel, fUserIdentifier, G4Exception(), G4MoleculeDefinition::GetCharge(), GetLabel(), GetMolecularConfiguration(), G4MoleculeDefinition::GetName(), PrintState(), and SetLabel().

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void G4MolecularConfiguration::DeleteManager ( )
static

Definition at line 427 of file G4MolecularConfiguration.cc.

References G4MolecularConfiguration::G4MolecularConfigurationManager::fManagerCreationMutex, and G4TemplateAutoLock< M, L, U >::unlock().

Referenced by G4DNAChemistryManager::Clear().

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double G4MolecularConfiguration::DiffCoeffWater ( double  temperature_K)
static

Definition at line 1483 of file G4MolecularConfiguration.cc.

References m2, and s.

Referenced by G4DNAMolecularReactionData::ScaledParameterization().

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G4MolecularConfiguration * G4MolecularConfiguration::ExciteMolecule ( G4int  ExcitedLevel)

Method used in Geant4-DNA to excite water molecules.

Definition at line 588 of file G4MolecularConfiguration.cc.

References G4ElectronOccupancy::AddElectron(), and G4ElectronOccupancy::RemoveElectron().

Referenced by G4Molecule::ExciteMolecule().

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void G4MolecularConfiguration::Finalize ( )
inline

Definition at line 574 of file G4MolecularConfiguration.hh.

References CreateDefaultDiffCoeffParam(), and fIsFinalized.

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void G4MolecularConfiguration::FinalizeAll ( )
static

Definition at line 1562 of file G4MolecularConfiguration.cc.

Referenced by G4MoleculeTable::Finalize().

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G4int G4MolecularConfiguration::GetAtomsNumber ( ) const

Returns the nomber of atoms compouning the molecule.

Definition at line 737 of file G4MolecularConfiguration.cc.

Referenced by G4Molecule::GetAtomsNumber().

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G4int G4MolecularConfiguration::GetCharge ( ) const
inline

Returns the charge of molecule.

Definition at line 531 of file G4MolecularConfiguration.hh.

References fDynCharge.

Referenced by G4Molecule::GetCharge().

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const vector< const G4MolecularDissociationChannel * > * G4MolecularConfiguration::GetDecayChannel ( ) const

Definition at line 790 of file G4MolecularConfiguration.cc.

Referenced by G4Molecule::GetDecayChannel().

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G4double G4MolecularConfiguration::GetDecayTime ( ) const
inline

Returns the decay time of the molecule.

Definition at line 515 of file G4MolecularConfiguration.hh.

References fDynDecayTime.

Referenced by G4Molecule::GetDecayTime().

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G4double G4MolecularConfiguration::GetDiffusionCoefficient ( ) const
inline

Returns the diffusion coefficient D.

Definition at line 504 of file G4MolecularConfiguration.hh.

References fDynDiffusionCoefficient.

Referenced by G4DNAMolecularReactionData::G4DNAMolecularReactionData(), G4Molecule::GetDiffusionCoefficient(), G4DNAMolecularReaction::MakeReaction(), ScaleAllDiffusionCoefficientsOnWater(), and G4DNAMoleculeEncounterStepper::Utils::Utils().

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G4double G4MolecularConfiguration::GetDiffusionCoefficient ( const G4Material material,
double  temperature 
) const
inline

Definition at line 592 of file G4MolecularConfiguration.hh.

References fDiffParam.

const G4ElectronOccupancy * G4MolecularConfiguration::GetElectronOccupancy ( ) const
inline

Returns the object ElectronOccupancy describing the electronic configuration of the molecule.

Definition at line 493 of file G4MolecularConfiguration.hh.

References fElectronOccupancy.

Referenced by CreateMolecularConfiguration(), G4Molecule::GetElectronOccupancy(), and G4MolecularConfiguration::G4MolecularConfigurationManager::RemoveMolecularConfigurationFromTable().

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G4int G4MolecularConfiguration::GetFakeParticleID ( ) const

Definition at line 798 of file G4MolecularConfiguration.cc.

References FatalErrorInArgument, G4Exception(), and INT_MAX.

Referenced by G4Molecule::GetFakeParticleID().

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const G4String & G4MolecularConfiguration::GetFormatedName ( ) const

Returns the formated name of the molecule.

Definition at line 722 of file G4MolecularConfiguration.cc.

Referenced by G4Molecule::GetFormatedName().

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G4double G4MolecularConfiguration::GetGlobalTemperature ( )
static

Definition at line 1534 of file G4MolecularConfiguration.cc.

Referenced by G4Molecule::GetDiffusionVelocity().

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const G4String & G4MolecularConfiguration::GetLabel ( ) const
inline

Definition at line 566 of file G4MolecularConfiguration.hh.

Referenced by CreateMolecularConfiguration(), and G4Molecule::GetLabel().

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G4MolecularConfiguration::G4MolecularConfigurationManager * G4MolecularConfiguration::GetManager ( )
staticprotected

Definition at line 131 of file G4MolecularConfiguration.cc.

References G4MolecularConfiguration::G4MolecularConfigurationManager::fManagerCreationMutex, and G4TemplateAutoLock< M, L, U >::unlock().

Referenced by GetUserIDTable().

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G4double G4MolecularConfiguration::GetMass ( ) const
inline

Returns the total mass of the molecule.

Definition at line 542 of file G4MolecularConfiguration.hh.

References fDynMass.

Referenced by G4Molecule::GetDiffusionVelocity(), G4Molecule::GetKineticEnergy(), and G4Molecule::GetMass().

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G4MolecularConfiguration * G4MolecularConfiguration::GetMolecularConfiguration ( const G4MoleculeDefinition molDef,
const G4String label 
)
static

Definition at line 989 of file G4MolecularConfiguration.cc.

References GetMolecularConfiguration().

Referenced by G4MoleculeDefinition::AddDecayChannel(), ChangeConfiguration(), G4Molecule::ChangeConfigurationToLabel(), CreateMolecularConfiguration(), G4MoleculeTable::GetConfiguration(), G4MoleculeDefinition::GetConfigurationWithLabel(), GetMolecularConfiguration(), and GetOrCreateMolecularConfiguration().

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G4MolecularConfiguration * G4MolecularConfiguration::GetMolecularConfiguration ( int  moleculeID)
static

Definition at line 998 of file G4MolecularConfiguration.cc.

References GetMolecularConfiguration().

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G4MolecularConfiguration * G4MolecularConfiguration::GetMolecularConfiguration ( const G4String userID)
static

Definition at line 1555 of file G4MolecularConfiguration.cc.

References GetMolecularConfiguration().

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G4int G4MolecularConfiguration::GetMoleculeID ( ) const
inline

Definition at line 547 of file G4MolecularConfiguration.hh.

References fMoleculeID.

Referenced by G4DNAMoleculeEncounterStepper::CalculateStep(), and G4Molecule::GetMoleculeID().

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G4double G4MolecularConfiguration::GetNbElectrons ( ) const

Returns the number of electron.

Definition at line 744 of file G4MolecularConfiguration.cc.

Referenced by G4Molecule::GetNbElectrons().

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int G4MolecularConfiguration::GetNumberOfSpecies ( )
static

Definition at line 67 of file G4MolecularConfiguration.cc.

Referenced by G4MoleculeTable::GetNumberOfDefinedSpecies().

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G4MolecularConfiguration * G4MolecularConfiguration::GetOrCreateMolecularConfiguration ( const G4MoleculeDefinition molDef)
static

Definition at line 339 of file G4MolecularConfiguration.cc.

References G4MoleculeDefinition::GetCharge(), G4MoleculeDefinition::GetGroundStateElectronOccupancy(), GetMolecularConfiguration(), G4MoleculeDefinition::GetName(), and SetUserID().

Referenced by G4Molecule::G4Molecule(), GetOrCreateMolecularConfiguration(), G4MoleculeTable::PrepareMolecularConfiguration(), and G4Molecule::SetElectronOccupancy().

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G4MolecularConfiguration * G4MolecularConfiguration::GetOrCreateMolecularConfiguration ( const G4MoleculeDefinition molDef,
const G4ElectronOccupancy eOcc 
)
static

Definition at line 383 of file G4MolecularConfiguration.cc.

References GetOrCreateMolecularConfiguration().

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G4MolecularConfiguration * G4MolecularConfiguration::GetOrCreateMolecularConfiguration ( const G4MoleculeDefinition molDef,
int  charge 
)
static

Definition at line 407 of file G4MolecularConfiguration.cc.

References GetMolecularConfiguration().

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const G4String & G4MolecularConfiguration::GetUserID ( ) const
inline

Definition at line 580 of file G4MolecularConfiguration.hh.

References fUserIdentifier.

static std::map<G4String, G4MolecularConfiguration*>& G4MolecularConfiguration::GetUserIDTable ( )
inlinestatic

Definition at line 169 of file G4MolecularConfiguration.hh.

References GetManager(), and G4MolecularConfiguration::G4MolecularConfigurationManager::GetUserIDTable().

Referenced by G4MoleculeTable::GetConfigurationIterator().

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G4double G4MolecularConfiguration::GetVanDerVaalsRadius ( ) const
inline

Definition at line 526 of file G4MolecularConfiguration.hh.

References fDynVanDerVaalsRadius.

Referenced by G4Molecule::GetVanDerVaalsRadius().

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G4MolecularConfiguration * G4MolecularConfiguration::IonizeMolecule ( G4int  IonizedLevel)

Method used in Geant4-DNA to ionize water molecules.

Definition at line 605 of file G4MolecularConfiguration.cc.

References G4UIcommand::ConvertToString(), FatalErrorInArgument, G4Exception(), G4ElectronOccupancy::GetOccupancy(), and G4ElectronOccupancy::RemoveElectron().

Referenced by G4Molecule::IonizeMolecule().

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G4MolecularConfiguration * G4MolecularConfiguration::Load ( std::istream &  in)
static

Definition at line 1437 of file G4MolecularConfiguration.cc.

void G4MolecularConfiguration::MakeExceptionIfFinalized ( )
protected

Definition at line 115 of file G4MolecularConfiguration.cc.

References FatalException, and G4Exception().

Referenced by SetDecayTime(), SetDiffusionCoefficient(), SetMass(), and SetVanDerVaalsRadius().

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G4MolecularConfiguration * G4MolecularConfiguration::MoveOneElectron ( G4int  orbitToFree,
G4int  orbitToFill 
)

Move one electron from an orbit to another.

Definition at line 678 of file G4MolecularConfiguration.cc.

References G4ElectronOccupancy::AddElectron(), G4UIcommand::ConvertToString(), FatalErrorInArgument, G4Exception(), G4ElectronOccupancy::GetOccupancy(), and G4ElectronOccupancy::RemoveElectron().

Referenced by G4Molecule::MoveOneElectron().

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G4MolecularConfiguration & G4MolecularConfiguration::operator= ( G4MolecularConfiguration right)
protected

Definition at line 577 of file G4MolecularConfiguration.cc.

void G4MolecularConfiguration::PrintState ( ) const

Display the electronic state of the molecule.

Definition at line 752 of file G4MolecularConfiguration.cc.

References G4cout, and G4endl.

Referenced by CreateMolecularConfiguration(), G4Molecule::PrintState(), and G4MoleculeCounter::RemoveAMoleculeAtTime().

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G4MolecularConfiguration * G4MolecularConfiguration::RemoveElectron ( G4int  orbit,
G4int  number = 1 
)

Remove n electrons to a given orbit.

Definition at line 649 of file G4MolecularConfiguration.cc.

References G4UIcommand::ConvertToString(), G4Exception(), G4ElectronOccupancy::GetOccupancy(), JustWarning, and G4ElectronOccupancy::RemoveElectron().

Referenced by G4Molecule::RemoveElectron().

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double G4MolecularConfiguration::ReturnDefaultDiffCoeff ( const G4Material ,
double  ,
const G4MolecularConfiguration molConf 
)
staticprotected

Definition at line 72 of file G4MolecularConfiguration.cc.

References fDynDiffusionCoefficient.

Referenced by CreateDefaultDiffCoeffParam(), and G4MolecularConfiguration().

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void G4MolecularConfiguration::ScaleAllDiffusionCoefficientsOnWater ( double  temperature_K)
staticprotected

Definition at line 1495 of file G4MolecularConfiguration.cc.

References G4cout, G4endl, G4MoleculeTable::GetConfigurationIterator(), GetDiffusionCoefficient(), G4MoleculeTable::Instance(), SetDiffusionCoefficient(), and G4MoleculeIterator< MOLECULE >::value().

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void G4MolecularConfiguration::Serialize ( std::ostream &  out)

Definition at line 1387 of file G4MolecularConfiguration.cc.

References fName, and WRITE().

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void G4MolecularConfiguration::SetDecayTime ( G4double  dynDecayTime)
inline

Set the decay time of the molecule.

Definition at line 509 of file G4MolecularConfiguration.hh.

References fDynDecayTime, and MakeExceptionIfFinalized().

Referenced by G4MoleculeDefinition::NewConfigurationWithElectronOccupancy(), and G4Molecule::SetDecayTime().

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void G4MolecularConfiguration::SetDiffusionCoefficient ( G4double  dynDiffusionCoefficient)
inline

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.

Note : Diffusion Coefficient in one medium only For the time being, we will consider only one diffusion coefficient for the all simulation => diffusion in one medium only If the user needs to use the diffusion in different materials, she/he should contact the developpers/mainteners of this package

Definition at line 498 of file G4MolecularConfiguration.hh.

References fDynDiffusionCoefficient, and MakeExceptionIfFinalized().

Referenced by G4MoleculeTable::CreateConfiguration(), ScaleAllDiffusionCoefficientsOnWater(), and G4Molecule::SetDiffusionCoefficient().

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void G4MolecularConfiguration::SetGlobalTemperature ( G4double  temperature)
static

Definition at line 1526 of file G4MolecularConfiguration.cc.

Referenced by G4DNAChemistryManager::SetGlobalTemperature().

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void G4MolecularConfiguration::SetLabel ( const G4String label)
inline

Definition at line 552 of file G4MolecularConfiguration.hh.

References G4MolecularConfiguration::G4MolecularConfigurationManager::RecordNewlyLabeledConfiguration().

Referenced by CreateMolecularConfiguration(), and G4Molecule::SetLabel().

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void G4MolecularConfiguration::SetMass ( G4double  aMass)
inline

Set the total mass of the molecule.

Definition at line 536 of file G4MolecularConfiguration.hh.

References fDynMass, and MakeExceptionIfFinalized().

Referenced by G4EmDNAChemistry::ConstructMolecule(), and G4Molecule::SetMass().

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void G4MolecularConfiguration::SetUserID ( const G4String userID)
protected

Definition at line 1474 of file G4MolecularConfiguration.cc.

Referenced by GetOrCreateMolecularConfiguration().

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void G4MolecularConfiguration::SetVanDerVaalsRadius ( G4double  dynVanDerVaalsRadius)
inline

The Van Der Valls Radius of the molecule.

Definition at line 520 of file G4MolecularConfiguration.hh.

References fDynVanDerVaalsRadius, and MakeExceptionIfFinalized().

Referenced by G4Molecule::SetVanDerVaalsRadius().

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void G4MolecularConfiguration::Unserialize ( std::istream &  in)

Definition at line 1409 of file G4MolecularConfiguration.cc.

References fName, G4MoleculeTable::GetMoleculeDefinition(), G4MoleculeTable::Instance(), and READ().

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Member Data Documentation

G4DiffCoeffParam G4MolecularConfiguration::fDiffParam
protected

Definition at line 479 of file G4MolecularConfiguration.hh.

Referenced by GetDiffusionCoefficient().

G4int G4MolecularConfiguration::fDynCharge
protected

Definition at line 472 of file G4MolecularConfiguration.hh.

Referenced by GetCharge().

G4double G4MolecularConfiguration::fDynDecayTime
protected

Definition at line 470 of file G4MolecularConfiguration.hh.

Referenced by GetDecayTime(), and SetDecayTime().

G4double G4MolecularConfiguration::fDynDiffusionCoefficient
protected
G4double G4MolecularConfiguration::fDynMass
protected

Definition at line 471 of file G4MolecularConfiguration.hh.

Referenced by GetMass(), and SetMass().

G4double G4MolecularConfiguration::fDynVanDerVaalsRadius
protected

Definition at line 469 of file G4MolecularConfiguration.hh.

Referenced by GetVanDerVaalsRadius(), and SetVanDerVaalsRadius().

const G4ElectronOccupancy* G4MolecularConfiguration::fElectronOccupancy
protected
G4String G4MolecularConfiguration::fFormatedName
protected

Definition at line 474 of file G4MolecularConfiguration.hh.

MolecularConfigurationManager * G4MolecularConfiguration::fgManager = 0
staticprotected

Definition at line 460 of file G4MolecularConfiguration.hh.

G4double G4MolecularConfiguration::fgTemperature = 298
staticprotected

Definition at line 480 of file G4MolecularConfiguration.hh.

G4bool G4MolecularConfiguration::fIsFinalized
protected

Definition at line 477 of file G4MolecularConfiguration.hh.

Referenced by Finalize().

const G4MoleculeDefinition* G4MolecularConfiguration::fMoleculeDefinition
protected
G4int G4MolecularConfiguration::fMoleculeID
protected

Definition at line 473 of file G4MolecularConfiguration.hh.

Referenced by GetMoleculeID().

G4String G4MolecularConfiguration::fName
protected

Definition at line 475 of file G4MolecularConfiguration.hh.

G4String G4MolecularConfiguration::fUserIdentifier
protected

Definition at line 476 of file G4MolecularConfiguration.hh.

Referenced by CreateMolecularConfiguration(), and GetUserID().


The documentation for this class was generated from the following files: