#include <G4MolecularConfiguration.hh>

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Classes
struct	G4MolecularConfigurationManager

Public Member Functions
const G4MoleculeDefinition *	GetDefinition () const

const G4String &	GetName () const

G4int	GetAtomsNumber () const

G4MolecularConfiguration *	ExciteMolecule (G4int)

G4MolecularConfiguration *	IonizeMolecule (G4int)

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

G4MolecularConfiguration *	RemoveElectron (G4int, G4int number=1)

G4MolecularConfiguration *	MoveOneElectron (G4int, G4int)

G4double	GetNbElectrons () const

void	PrintState () const

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

G4int	GetMoleculeID () const

void	SetDiffusionCoefficient (G4double)

G4double	GetDiffusionCoefficient () const

void	SetDecayTime (G4double)

G4double	GetDecayTime () const

void	SetVanDerVaalsRadius (G4double)

G4double	GetVanDerVaalsRadius () const

const G4ElectronOccupancy *	GetElectronOccupancy () const

G4int	GetCharge () const

void	SetMass (G4double)

G4double	GetMass () const

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 59 of file G4MolecularConfiguration.hh.

Constructor & Destructor Documentation

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

protected

Definition at line 113 of file G4MolecularConfiguration.cc.

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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.

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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.

G4MolecularConfiguration * G4MolecularConfiguration::ExciteMolecule ( G4int ExcitedLevel )

Method used in Geant4-DNA to excite water molecules

Definition at line 158 of file G4MolecularConfiguration.cc.

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G4int G4MolecularConfiguration::GetAtomsNumber ( ) const

Returns the nomber of atoms compouning the molecule

Definition at line 250 of file G4MolecularConfiguration.cc.

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G4int G4MolecularConfiguration::GetCharge ( ) const

inline

Returns the charge of molecule.

Definition at line 283 of file G4MolecularConfiguration.hh.

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

Definition at line 276 of file G4MolecularConfiguration.cc.

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G4double G4MolecularConfiguration::GetDecayTime ( ) const

inline

Returns the decay time of the molecule.

Definition at line 268 of file G4MolecularConfiguration.hh.

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const G4MoleculeDefinition * G4MolecularConfiguration::GetDefinition ( ) const

inline

Definition at line 243 of file G4MolecularConfiguration.hh.

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G4double G4MolecularConfiguration::GetDiffusionCoefficient ( ) const

inline

Returns the diffusion coefficient D.

Definition at line 258 of file G4MolecularConfiguration.hh.

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const G4ElectronOccupancy * G4MolecularConfiguration::GetElectronOccupancy ( ) const

inline

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

Definition at line 248 of file G4MolecularConfiguration.hh.

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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 293 of file G4MolecularConfiguration.hh.

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G4MolecularConfiguration * G4MolecularConfiguration::GetMolecularConfiguration	(	const G4MoleculeDefinition *	molDef,
		const G4ElectronOccupancy &	electronOccupancy
	)

static

Definition at line 91 of file G4MolecularConfiguration.cc.

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

static

Definition at line 77 of file G4MolecularConfiguration.cc.

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G4int G4MolecularConfiguration::GetMoleculeID ( ) const

Definition at line 281 of file G4MolecularConfiguration.cc.

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const G4String & G4MolecularConfiguration::GetName ( void ) const

Returns the name of the molecule

Definition at line 237 of file G4MolecularConfiguration.cc.

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G4double G4MolecularConfiguration::GetNbElectrons ( ) const

Returns the number of electron.

Definition at line 255 of file G4MolecularConfiguration.cc.

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G4double G4MolecularConfiguration::GetVanDerVaalsRadius ( ) const

inline

Definition at line 278 of file G4MolecularConfiguration.hh.

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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.

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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.

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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.

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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.

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void G4MolecularConfiguration::SetDecayTime ( G4double dynDecayTime )

inline

Set the decay time of the molecule.

Definition at line 263 of file G4MolecularConfiguration.hh.

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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 253 of file G4MolecularConfiguration.hh.

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void G4MolecularConfiguration::SetMass ( G4double aMass )

inline

Set the total mass of the molecule.

Definition at line 288 of file G4MolecularConfiguration.hh.

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void G4MolecularConfiguration::SetVanDerVaalsRadius ( G4double dynVanDerVaalsRadius )

inline

The Van Der Valls Radius of the molecule

Definition at line 273 of file G4MolecularConfiguration.hh.

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Member Data Documentation

G4int G4MolecularConfiguration::fDynCharge

protected

Definition at line 198 of file G4MolecularConfiguration.hh.

G4double G4MolecularConfiguration::fDynDecayTime

protected

Definition at line 196 of file G4MolecularConfiguration.hh.

G4double G4MolecularConfiguration::fDynDiffusionCoefficient

protected

Definition at line 194 of file G4MolecularConfiguration.hh.

G4double G4MolecularConfiguration::fDynMass

protected

Definition at line 197 of file G4MolecularConfiguration.hh.

G4double G4MolecularConfiguration::fDynVanDerVaalsRadius

protected

Definition at line 195 of file G4MolecularConfiguration.hh.

const G4ElectronOccupancy* G4MolecularConfiguration::fElectronOccupancy

protected

Definition at line 177 of file G4MolecularConfiguration.hh.

G4ThreadLocal MolecularConfigurationManager * G4MolecularConfiguration::fgManager = 0

staticprotected

Definition at line 190 of file G4MolecularConfiguration.hh.

const G4MoleculeDefinition* G4MolecularConfiguration::fMoleculeDefinition

protected

Definition at line 176 of file G4MolecularConfiguration.hh.

G4String G4MolecularConfiguration::fName

mutableprotected

Definition at line 199 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