G4MolecularConfiguration Class Reference

#include <G4MolecularConfiguration.hh>

Collaboration diagram for G4MolecularConfiguration:

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 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 111 of file G4MolecularConfiguration.cc.

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G4MolecularConfiguration::G4MolecularConfiguration ( const G4MolecularConfiguration &  )

protected

G4MolecularConfiguration::~G4MolecularConfiguration ( )

protected

Definition at line 128 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 189 of file G4MolecularConfiguration.cc.

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

protected

Definition at line 137 of file G4MolecularConfiguration.cc.

void G4MolecularConfiguration::DeleteManager ( )

static

Definition at line 103 of file G4MolecularConfiguration.cc.

G4MolecularConfiguration * G4MolecularConfiguration::ExciteMolecule

(

G4int

ExcitedLevel)

Method used in Geant4-DNA to excite water molecules

Definition at line 156 of file G4MolecularConfiguration.cc.

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G4int G4MolecularConfiguration::GetAtomsNumber

(

)

const

Returns the nomber of atoms compouning the molecule

Definition at line 248 of file G4MolecularConfiguration.cc.

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G4int G4MolecularConfiguration::GetCharge ( ) const

inline

Returns the charge of molecule.

Definition at line 275 of file G4MolecularConfiguration.hh.

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

(

)

const

Definition at line 274 of file G4MolecularConfiguration.cc.

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G4double G4MolecularConfiguration::GetDecayTime ( ) const

inline

Returns the decay time of the molecule.

Definition at line 260 of file G4MolecularConfiguration.hh.

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const G4MoleculeDefinition * G4MolecularConfiguration::GetDefinition ( ) const

inline

Definition at line 235 of file G4MolecularConfiguration.hh.

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G4double G4MolecularConfiguration::GetDiffusionCoefficient ( ) const

inline

Returns the diffusion coefficient D.

Definition at line 250 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 240 of file G4MolecularConfiguration.hh.

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G4MolecularConfiguration::G4MolecularConfigurationManager * G4MolecularConfiguration::GetManager ( )

staticprotected

Definition at line 46 of file G4MolecularConfiguration.cc.

G4double G4MolecularConfiguration::GetMass ( ) const

inline

Returns the total mass of the molecule.

Definition at line 285 of file G4MolecularConfiguration.hh.

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

static

Definition at line 89 of file G4MolecularConfiguration.cc.

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

static

Definition at line 75 of file G4MolecularConfiguration.cc.

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G4int G4MolecularConfiguration::GetMoleculeID

(

)

const

Definition at line 279 of file G4MolecularConfiguration.cc.

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const G4String & G4MolecularConfiguration::GetName

(

void

)

const

Returns the name of the molecule

Definition at line 235 of file G4MolecularConfiguration.cc.

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G4double G4MolecularConfiguration::GetNbElectrons

(

)

const

Returns the number of electron.

Definition at line 253 of file G4MolecularConfiguration.cc.

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G4double G4MolecularConfiguration::GetVanDerVaalsRadius ( ) const

inline

Definition at line 270 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 168 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 215 of file G4MolecularConfiguration.cc.

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

protected

Definition at line 147 of file G4MolecularConfiguration.cc.

void G4MolecularConfiguration::PrintState

(

)

const

Show the electronic state of the molecule.

Definition at line 258 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 196 of file G4MolecularConfiguration.cc.

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void G4MolecularConfiguration::SetDecayTime ( G4double  dynDecayTime)

inline

Set the decay time of the molecule.

Definition at line 255 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.

Definition at line 245 of file G4MolecularConfiguration.hh.

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void G4MolecularConfiguration::SetMass ( G4double  aMass)

inline

Set the total mass of the molecule.

Definition at line 280 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 265 of file G4MolecularConfiguration.hh.

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Member Data Documentation

G4int G4MolecularConfiguration::fDynCharge

protected

Definition at line 190 of file G4MolecularConfiguration.hh.

G4double G4MolecularConfiguration::fDynDecayTime

protected

Definition at line 188 of file G4MolecularConfiguration.hh.

G4double G4MolecularConfiguration::fDynDiffusionCoefficient

protected

Definition at line 186 of file G4MolecularConfiguration.hh.

G4double G4MolecularConfiguration::fDynMass

protected

Definition at line 189 of file G4MolecularConfiguration.hh.

G4double G4MolecularConfiguration::fDynVanDerVaalsRadius

protected

Definition at line 187 of file G4MolecularConfiguration.hh.

const G4ElectronOccupancy* G4MolecularConfiguration::fElectronOccupancy

protected

Definition at line 171 of file G4MolecularConfiguration.hh.

G4MolecularConfiguration::G4MolecularConfigurationManager * G4MolecularConfiguration::fgManager = 0

staticprotected

Definition at line 182 of file G4MolecularConfiguration.hh.

const G4MoleculeDefinition* G4MolecularConfiguration::fMoleculeDefinition

protected

Definition at line 170 of file G4MolecularConfiguration.hh.

G4String G4MolecularConfiguration::fName

mutableprotected

Definition at line 191 of file G4MolecularConfiguration.hh.

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

• D:/Geant4/geant4_9_6_p02/source/processes/electromagnetic/dna/molecules/management/include/G4MolecularConfiguration.hh
• D:/Geant4/geant4_9_6_p02/source/processes/electromagnetic/dna/molecules/management/src/G4MolecularConfiguration.cc