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>

Collaboration diagram for G4MolecularConfiguration:

Classes
struct	G4MolecularConfigurationManager

Public Member Functions
const G4MoleculeDefinition *	GetDefinition () const

const G4String &	GetName () const
	Returns the name of the molecule. More...

G4int	GetAtomsNumber () const
	Returns the nomber of atoms compouning the molecule. More...

G4MolecularConfiguration *	ExciteMolecule (G4int)
	Method used in Geant4-DNA to excite water molecules. More...

G4MolecularConfiguration *	IonizeMolecule (G4int)
	Method used in Geant4-DNA to ionize water molecules. More...

G4MolecularConfiguration *	AddElectron (G4int orbit, G4int n=1)
	Add n electrons to a given orbit. More...

G4MolecularConfiguration *	RemoveElectron (G4int, G4int number=1)
	Remove n electrons to a given orbit. More...

G4MolecularConfiguration *	MoveOneElectron (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 G4MolecularDecayChannel * > *	GetDecayChannel () 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...

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 G4ElectronOccupancy *	GetElectronOccupancy () 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...

Static Public Member Functions
static G4MolecularConfiguration *	GetMolecularConfiguration (const G4MoleculeDefinition *, const G4ElectronOccupancy &electronOccupancy)

static G4MolecularConfiguration *	GetMolecularConfiguration (const G4MoleculeDefinition *)

static void	DeleteManager ()

Protected Member Functions
	G4MolecularConfiguration (const G4MoleculeDefinition *, const G4ElectronOccupancy &)

	G4MolecularConfiguration (const G4MolecularConfiguration &)

G4MolecularConfiguration &	operator= (G4MolecularConfiguration &right)

	~G4MolecularConfiguration ()

G4MolecularConfiguration *	ChangeConfiguration (const G4ElectronOccupancy &newElectronOccupancy)

Static Protected Member Functions
static G4MolecularConfigurationManager *	GetManager ()

Protected Attributes
const G4MoleculeDefinition *	fMoleculeDefinition

const G4ElectronOccupancy *	fElectronOccupancy

G4double	fDynDiffusionCoefficient

G4double	fDynVanDerVaalsRadius

G4double	fDynDecayTime

G4double	fDynMass

G4int	fDynCharge

G4String	fName

Static Protected Attributes
static G4ThreadLocal G4MolecularConfigurationManager *	fgManager = 0

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 99 of file G4MolecularConfiguration.hh.

Constructor & Destructor Documentation

G4MolecularConfiguration::G4MolecularConfiguration	(	const G4MoleculeDefinition *	moleculeDef,
		const G4ElectronOccupancy &	elecOcc
	)

protected

Definition at line 113 of file G4MolecularConfiguration.cc.

References G4MoleculeDefinition::GetNbElectrons().

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G4MolecularConfiguration::G4MolecularConfiguration ( const G4MolecularConfiguration & )

protected

G4MolecularConfiguration::~G4MolecularConfiguration ( )

protected

Definition at line 130 of file G4MolecularConfiguration.cc.

Member Function Documentation

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 191 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 139 of file G4MolecularConfiguration.cc.

void G4MolecularConfiguration::DeleteManager ( )

static

Definition at line 105 of file G4MolecularConfiguration.cc.

Referenced by G4DNAChemistryManager::~G4DNAChemistryManager().

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G4MolecularConfiguration * G4MolecularConfiguration::ExciteMolecule ( G4int ExcitedLevel )

Method used in Geant4-DNA to excite water molecules.

Definition at line 158 of file G4MolecularConfiguration.cc.

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

Referenced by G4Molecule::ExciteMolecule().

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G4int G4MolecularConfiguration::GetAtomsNumber ( ) const

Returns the nomber of atoms compouning the molecule.

Definition at line 250 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 282 of file G4MolecularConfiguration.hh.

References fDynCharge.

Referenced by G4Molecule::GetCharge().

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const vector< const G4MolecularDecayChannel * > * G4MolecularConfiguration::GetDecayChannel ( ) const

Definition at line 276 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 267 of file G4MolecularConfiguration.hh.

References fDynDecayTime.

Referenced by G4Molecule::GetDecayTime().

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const G4MoleculeDefinition * G4MolecularConfiguration::GetDefinition ( ) const

inline

Definition at line 242 of file G4MolecularConfiguration.hh.

References fMoleculeDefinition.

Referenced by G4Molecule::BuildTrack(), G4Molecule::GetDefinition(), and G4Molecule::SetElectronOccupancy().

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G4double G4MolecularConfiguration::GetDiffusionCoefficient ( ) const

inline

Returns the diffusion coefficient D.

Definition at line 257 of file G4MolecularConfiguration.hh.

References fDynDiffusionCoefficient.

Referenced by G4Molecule::GetDiffusionCoefficient().

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const G4ElectronOccupancy * G4MolecularConfiguration::GetElectronOccupancy ( ) const

inline

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

Definition at line 247 of file G4MolecularConfiguration.hh.

References fElectronOccupancy.

Referenced by G4Molecule::GetElectronOccupancy().

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G4MolecularConfiguration::G4MolecularConfigurationManager * G4MolecularConfiguration::GetManager ( )

staticprotected

Definition at line 48 of file G4MolecularConfiguration.cc.

G4double G4MolecularConfiguration::GetMass ( ) const

inline

Returns the total mass of the molecule.

Definition at line 292 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 G4ElectronOccupancy &	electronOccupancy
	)

static

Definition at line 91 of file G4MolecularConfiguration.cc.

Referenced by G4MoleculeDefinition::AddeConfToExcitedState(), G4Molecule::G4Molecule(), and G4Molecule::SetElectronOccupancy().

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G4MolecularConfiguration * G4MolecularConfiguration::GetMolecularConfiguration ( const G4MoleculeDefinition * molDef )

static

Definition at line 77 of file G4MolecularConfiguration.cc.

References G4MoleculeDefinition::GetGroundStateElectronOccupancy().

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G4int G4MolecularConfiguration::GetMoleculeID ( ) const

Definition at line 281 of file G4MolecularConfiguration.cc.

References FatalErrorInArgument, G4Exception(), and INT_MAX.

Referenced by G4Molecule::GetMoleculeID().

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const G4String & G4MolecularConfiguration::GetName ( void ) const

Returns the name of the molecule.

Definition at line 237 of file G4MolecularConfiguration.cc.

References G4UIcommand::ConvertToString(), fName, and G4String::isNull().

Referenced by G4Molecule::GetName().

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G4double G4MolecularConfiguration::GetNbElectrons ( ) const

Returns the number of electron.

Definition at line 255 of file G4MolecularConfiguration.cc.

Referenced by G4Molecule::GetNbElectrons().

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G4double G4MolecularConfiguration::GetVanDerVaalsRadius ( ) const

inline

Definition at line 277 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 170 of file G4MolecularConfiguration.cc.

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

Referenced by G4Molecule::IonizeMolecule().

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

Move one electron from an orbit to another.

Definition at line 217 of file G4MolecularConfiguration.cc.

References G4UIcommand::ConvertToString(), FatalErrorInArgument, and G4Exception().

Referenced by G4Molecule::MoveOneElectron().

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

protected

Definition at line 149 of file G4MolecularConfiguration.cc.

void G4MolecularConfiguration::PrintState ( ) const

Display the electronic state of the molecule.

Definition at line 260 of file G4MolecularConfiguration.cc.

References G4cout, and G4endl.

Referenced by G4Molecule::PrintState().

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

Remove n electrons to a given orbit.

Definition at line 198 of file G4MolecularConfiguration.cc.

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

Referenced by G4Molecule::RemoveElectron().

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void G4MolecularConfiguration::SetDecayTime ( G4double dynDecayTime )

inline

Set the decay time of the molecule.

Definition at line 262 of file G4MolecularConfiguration.hh.

References fDynDecayTime.

Referenced by G4MoleculeDefinition::AddeConfToExcitedState(), 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 252 of file G4MolecularConfiguration.hh.

References fDynDiffusionCoefficient.

Referenced by G4Molecule::SetDiffusionCoefficient().

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void G4MolecularConfiguration::SetMass ( G4double aMass )

inline

Set the total mass of the molecule.

Definition at line 287 of file G4MolecularConfiguration.hh.

References fDynMass.

Referenced by G4Molecule::SetMass().

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void G4MolecularConfiguration::SetVanDerVaalsRadius ( G4double dynVanDerVaalsRadius )

inline

The Van Der Valls Radius of the molecule.

Definition at line 272 of file G4MolecularConfiguration.hh.

References fDynVanDerVaalsRadius.

Referenced by G4Molecule::SetVanDerVaalsRadius().

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Member Data Documentation

G4int G4MolecularConfiguration::fDynCharge

protected

Definition at line 238 of file G4MolecularConfiguration.hh.

Referenced by GetCharge().

G4double G4MolecularConfiguration::fDynDecayTime

protected

Definition at line 236 of file G4MolecularConfiguration.hh.

Referenced by GetDecayTime(), and SetDecayTime().

G4double G4MolecularConfiguration::fDynDiffusionCoefficient

protected

Definition at line 234 of file G4MolecularConfiguration.hh.

Referenced by GetDiffusionCoefficient(), and SetDiffusionCoefficient().

G4double G4MolecularConfiguration::fDynMass

protected

Definition at line 237 of file G4MolecularConfiguration.hh.

Referenced by GetMass(), and SetMass().

G4double G4MolecularConfiguration::fDynVanDerVaalsRadius

protected

Definition at line 235 of file G4MolecularConfiguration.hh.

Referenced by GetVanDerVaalsRadius(), and SetVanDerVaalsRadius().

const G4ElectronOccupancy* G4MolecularConfiguration::fElectronOccupancy

protected

Definition at line 217 of file G4MolecularConfiguration.hh.

Referenced by GetElectronOccupancy().

G4ThreadLocal MolecularConfigurationManager * G4MolecularConfiguration::fgManager = 0

staticprotected

Definition at line 230 of file G4MolecularConfiguration.hh.

const G4MoleculeDefinition* G4MolecularConfiguration::fMoleculeDefinition

protected

Definition at line 216 of file G4MolecularConfiguration.hh.

Referenced by GetDefinition().

G4String G4MolecularConfiguration::fName

mutableprotected

Definition at line 239 of file G4MolecularConfiguration.hh.

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

source/source/processes/electromagnetic/dna/molecules/management/include/G4MolecularConfiguration.hh
source/source/processes/electromagnetic/dna/molecules/management/src/G4MolecularConfiguration.cc

Classes

Public Member Functions

Static Public Member Functions

Protected Member Functions

Static Protected Member Functions

Protected Attributes

Static Protected Attributes

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation