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
class	G4MolecularConfigurationManager

Public Member Functions
const G4MoleculeDefinition *	GetDefinition () const

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

const G4String &	GetFormatedName () const
	Returns the formated 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 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...

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 *)

static G4MolecularConfiguration *	GetMolecularConfiguration (const G4MoleculeDefinition *, const G4ElectronOccupancy &electronOccupancy)

static G4MolecularConfiguration *	GetMolecularConfiguration (const G4MoleculeDefinition *, int charge)

static void	DeleteManager ()

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

	G4MolecularConfiguration (const G4MoleculeDefinition *, int)

	G4MolecularConfiguration (const G4MolecularConfiguration &)

G4MolecularConfiguration &	operator= (G4MolecularConfiguration &right)

	~G4MolecularConfiguration ()

G4MolecularConfiguration *	ChangeConfiguration (const G4ElectronOccupancy &newElectronOccupancy)

G4MolecularConfiguration *	ChangeConfiguration (int charge)

void	CheckElectronOccupancy (const char *line) const

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

G4int	fMoleculeID

G4String	fFormatedName

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 106 of file G4MolecularConfiguration.hh.

Constructor & Destructor Documentation

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

protected

Definition at line 242 of file G4MolecularConfiguration.cc.

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

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

protected

Definition at line 279 of file G4MolecularConfiguration.cc.

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

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G4MolecularConfiguration::G4MolecularConfiguration ( const G4MolecularConfiguration & )

protected

G4MolecularConfiguration::~G4MolecularConfiguration ( )

protected

Definition at line 306 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 391 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 320 of file G4MolecularConfiguration.cc.

References GetMolecularConfiguration().

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G4MolecularConfiguration * G4MolecularConfiguration::ChangeConfiguration ( int charge )

protected

Definition at line 333 of file G4MolecularConfiguration.cc.

References GetMolecularConfiguration().

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

protected

Definition at line 533 of file G4MolecularConfiguration.cc.

References FatalErrorInArgument, and G4Exception().

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void G4MolecularConfiguration::DeleteManager ( )

static

Definition at line 232 of file G4MolecularConfiguration.cc.

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

Referenced by G4DNAChemistryManager::Clear().

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G4MolecularConfiguration * G4MolecularConfiguration::ExciteMolecule ( G4int ExcitedLevel )

Method used in Geant4-DNA to excite water molecules.

Definition at line 353 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 472 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 339 of file G4MolecularConfiguration.hh.

References fDynCharge.

Referenced by G4Molecule::GetCharge().

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

Definition at line 507 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 324 of file G4MolecularConfiguration.hh.

References fDynDecayTime.

Referenced by G4Molecule::GetDecayTime().

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const G4MoleculeDefinition * G4MolecularConfiguration::GetDefinition ( ) const

inline

Definition at line 299 of file G4MolecularConfiguration.hh.

References fMoleculeDefinition.

Referenced by G4Molecule::BuildTrack(), G4Molecule::GetDefinition(), G4MolecularConfiguration::G4MolecularConfigurationManager::RemoveMolecularConfigurationFromTable(), and G4Molecule::SetElectronOccupancy().

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G4double G4MolecularConfiguration::GetDiffusionCoefficient ( ) const

inline

Returns the diffusion coefficient D.

Definition at line 314 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 304 of file G4MolecularConfiguration.hh.

References fElectronOccupancy.

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

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G4int G4MolecularConfiguration::GetFakeParticleID ( ) const

Definition at line 513 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 459 of file G4MolecularConfiguration.cc.

Referenced by G4Molecule::GetFormatedName().

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G4MolecularConfiguration::G4MolecularConfigurationManager * G4MolecularConfiguration::GetManager ( )

staticprotected

Definition at line 57 of file G4MolecularConfiguration.cc.

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

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G4double G4MolecularConfiguration::GetMass ( ) const

inline

Returns the total mass of the molecule.

Definition at line 349 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 )

static

Definition at line 167 of file G4MolecularConfiguration.cc.

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

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

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

static

Definition at line 195 of file G4MolecularConfiguration.cc.

References GetMolecularConfiguration().

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G4MolecularConfiguration * G4MolecularConfiguration::GetMolecularConfiguration	(	const G4MoleculeDefinition *	molDef,
		int	charge
	)

static

Definition at line 214 of file G4MolecularConfiguration.cc.

References GetMolecularConfiguration().

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G4int G4MolecularConfiguration::GetMoleculeID ( ) const

inline

Definition at line 354 of file G4MolecularConfiguration.hh.

References fMoleculeID.

Referenced by G4Molecule::GetMoleculeID().

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const G4String & G4MolecularConfiguration::GetName ( void ) const

Returns the name of the molecule.

Definition at line 446 of file G4MolecularConfiguration.cc.

References fName.

Referenced by G4Molecule::GetName().

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G4double G4MolecularConfiguration::GetNbElectrons ( ) const

Returns the number of electron.

Definition at line 477 of file G4MolecularConfiguration.cc.

Referenced by G4Molecule::GetNbElectrons().

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G4double G4MolecularConfiguration::GetVanDerVaalsRadius ( ) const

inline

Definition at line 334 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 366 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 422 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 345 of file G4MolecularConfiguration.cc.

void G4MolecularConfiguration::PrintState ( ) const

Display the electronic state of the molecule.

Definition at line 483 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 400 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 319 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 309 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 344 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 329 of file G4MolecularConfiguration.hh.

References fDynVanDerVaalsRadius.

Referenced by G4Molecule::SetVanDerVaalsRadius().

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Member Data Documentation

G4int G4MolecularConfiguration::fDynCharge

protected

Definition at line 293 of file G4MolecularConfiguration.hh.

Referenced by GetCharge().

G4double G4MolecularConfiguration::fDynDecayTime

protected

Definition at line 291 of file G4MolecularConfiguration.hh.

Referenced by GetDecayTime(), and SetDecayTime().

G4double G4MolecularConfiguration::fDynDiffusionCoefficient

protected

Definition at line 289 of file G4MolecularConfiguration.hh.

Referenced by GetDiffusionCoefficient(), and SetDiffusionCoefficient().

G4double G4MolecularConfiguration::fDynMass

protected

Definition at line 292 of file G4MolecularConfiguration.hh.

Referenced by GetMass(), and SetMass().

G4double G4MolecularConfiguration::fDynVanDerVaalsRadius

protected

Definition at line 290 of file G4MolecularConfiguration.hh.

Referenced by GetVanDerVaalsRadius(), and SetVanDerVaalsRadius().

const G4ElectronOccupancy* G4MolecularConfiguration::fElectronOccupancy

protected

Definition at line 237 of file G4MolecularConfiguration.hh.

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

G4String G4MolecularConfiguration::fFormatedName

protected

Definition at line 295 of file G4MolecularConfiguration.hh.

MolecularConfigurationManager * G4MolecularConfiguration::fgManager = 0

staticprotected

Definition at line 286 of file G4MolecularConfiguration.hh.

const G4MoleculeDefinition* G4MolecularConfiguration::fMoleculeDefinition

protected

Definition at line 236 of file G4MolecularConfiguration.hh.

Referenced by GetDefinition().

G4int G4MolecularConfiguration::fMoleculeID

protected

Definition at line 294 of file G4MolecularConfiguration.hh.

Referenced by GetMoleculeID().

G4String G4MolecularConfiguration::fName

protected

Definition at line 296 of file G4MolecularConfiguration.hh.

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

geant4.10.01.p03/source/processes/electromagnetic/dna/molecules/management/include/G4MolecularConfiguration.hh
geant4.10.01.p03/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