G4Molecule Class Reference

#include <G4Molecule.hh>

Inheritance diagram for G4Molecule:

Collaboration diagram for G4Molecule:

Public Member Functions
void	Print () const
void *	operator new (size_t)
void	operator delete (void *)
	G4Molecule (const G4Molecule &)
G4Molecule &	operator= (const G4Molecule &right)
G4bool	operator== (const G4Molecule &right) const
G4bool	operator!= (const G4Molecule &right) const
G4bool	operator< (const G4Molecule &right) const
	G4Molecule (G4MoleculeDefinition *molecule)
	G4Molecule (G4MoleculeDefinition *molecule, G4int, G4int)
	G4Molecule (G4MoleculeDefinition *molecule, G4int, G4bool)
virtual	~G4Molecule ()
const G4String &	GetName () const
G4int	GetAtomsNumber () const
void	SetElectronOccupancy (const G4ElectronOccupancy *)
void	ExciteMolecule (G4int)
void	IonizeMolecule (G4int)
void	AddElectron (G4int orbit, G4int n=1)
void	RemoveElectron (G4int, G4int number=1)
void	MoveOneElectron (G4int, G4int)
G4double	GetNbElectrons () const
void	PrintState () const
G4Track *	BuildTrack (G4double globalTime, const G4ThreeVector &Position)
G4double	GetKineticEnergy () const
G4double	GetDiffusionVelocity () const
const std::vector< const G4MolecularDecayChannel * > *	GetDecayChannel () const
G4int	GetMoleculeID () const
const G4MoleculeDefinition *	GetDefinition () 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
G4MolecularConfiguration *	GetMolecularConfiguration () const
Public Member Functions inherited from G4IT
	G4IT ()
	G4IT (G4Track *)
virtual	~G4IT ()
void *	operator new (size_t)
void	operator delete (void *aIT)
virtual G4bool	diff (const G4IT &right) const =0
virtual G4bool	equal (const G4IT &right) const =0
G4bool	operator< (const G4IT &right) const
G4bool	operator== (const G4IT &right) const
G4bool	operator!= (const G4IT &right) const
void	SetTrack (G4Track *)
G4Track *	GetTrack ()
const G4Track *	GetTrack () const
void	RecordCurrentPositionNTime ()
void	SetPrevious (G4IT *)
void	SetNext (G4IT *)
G4IT *	GetPrevious ()
G4IT *	GetNext ()
const G4IT *	GetPrevious () const
const G4IT *	GetNext () const
void	SetITBox (G4ITBox *)
const G4ITBox *	GetITBox () const
void	TakeOutBox ()
void	SetNode (G4KDNode *)
void	SetParentID (int, int)
void	GetParentID (int &, int &)
const G4ThreeVector &	GetPreStepPosition () const
G4double	GetPreStepLocalTime () const
G4double	GetPreStepGlobalTime () const
G4KDNode *	GetNode () const
G4TrackingInformation *	GetTrackingInfo ()
G4TrackListNode *	GetTrackListNode ()
void	SetTrackListNode (G4TrackListNode *node)
virtual const G4ITType	GetITType () const =0
Public Member Functions inherited from G4VUserTrackInformation
	G4VUserTrackInformation ()
	G4VUserTrackInformation (const G4String &infoType)
	G4VUserTrackInformation (const G4VUserTrackInformation &)
G4VUserTrackInformation &	operator= (const G4VUserTrackInformation &)
virtual	~G4VUserTrackInformation ()
const G4String &	GetType () const

Static Public Member Functions
static void	SetGlobalTemperature (G4double)
static G4double	GetGlobalTemperature ()

Additional Inherited Members
Protected Member Functions inherited from G4IT
	G4IT (const G4IT &)
G4IT &	operator= (const G4IT &)
Protected Attributes inherited from G4IT
G4Track *	fpTrack
Protected Attributes inherited from G4VUserTrackInformation
G4String *	pType

Detailed Description

Class Description The dynamic molecule holds all the data that change for a molecule It has a pointer to G4MoleculeDefinition object, which holds all the "ground level" information.

Definition at line 76 of file G4Molecule.hh.

Constructor & Destructor Documentation

G4Molecule::G4Molecule

(

const G4Molecule &

right

)

Definition at line 82 of file G4Molecule.cc.

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G4Molecule::G4Molecule

(

G4MoleculeDefinition *

moleculeDefinition

)

To build a molecule at ground state according to a given G4MoleculeDefinition that can be obtained from G4GenericMoleculeManager

Build a molecule at ground state according to a given G4MoleculeDefinition that can be obtained from G4GenericMoleculeManager

Definition at line 149 of file G4Molecule.cc.

G4Molecule::G4Molecule	(	G4MoleculeDefinition *	moleculeDefinition,
		G4int	OrbitalToFree,
		G4int	OrbitalToFill
	)

To build a molecule at a specific excitation/ionisation state according to a ground state that can be obtained from G4GenericMoleculeManager

Build a molecule at a specific excitation/ionisation state according to a ground state that can be obtained from G4GenericMoleculeManager. Put 0 in the second option if this is a ionisation.

Definition at line 161 of file G4Molecule.cc.

G4Molecule::G4Molecule	(	G4MoleculeDefinition *	moleculeDefinition,
		G4int	Level,
		G4bool	Excitation
	)

Specific builder for water molecules to be used in Geant4-DNA, the last option Excitation is true if the molecule is excited, is false is the molecule is ionized.

Definition at line 188 of file G4Molecule.cc.

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G4Molecule::~G4Molecule ( )

virtual

Definition at line 130 of file G4Molecule.cc.

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Member Function Documentation

void G4Molecule::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 228 of file G4Molecule.cc.

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G4Track * G4Molecule::BuildTrack	(	G4double	globalTime,
		const G4ThreeVector &	Position
	)

Definition at line 263 of file G4Molecule.cc.

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void G4Molecule::ExciteMolecule

(

G4int

ExcitedLevel

)

Method used in Geant4-DNA to excite water molecules

Definition at line 216 of file G4Molecule.cc.

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G4int G4Molecule::GetAtomsNumber

(

)

const

Returns the nomber of atoms compouning the molecule

Definition at line 248 of file G4Molecule.cc.

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G4int G4Molecule::GetCharge

(

)

const

Returns the charge of molecule.

Definition at line 359 of file G4Molecule.cc.

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const vector< const G4MolecularDecayChannel * > * G4Molecule::GetDecayChannel

(

)

const

Definition at line 329 of file G4Molecule.cc.

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G4double G4Molecule::GetDecayTime

(

)

const

Returns the decay time of the molecule.

Definition at line 344 of file G4Molecule.cc.

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const G4MoleculeDefinition * G4Molecule::GetDefinition

(

)

const

Get molecule definition. This G4MoleculeDefinition has the ground electronic state of the molecule.

Definition at line 379 of file G4Molecule.cc.

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G4double G4Molecule::GetDiffusionCoefficient

(

)

const

Returns the diffusion coefficient D.

Definition at line 389 of file G4Molecule.cc.

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G4double G4Molecule::GetDiffusionVelocity

(

)

const

Definition at line 308 of file G4Molecule.cc.

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const G4ElectronOccupancy * G4Molecule::GetElectronOccupancy

(

)

const

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

Definition at line 374 of file G4Molecule.cc.

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G4double G4Molecule::GetGlobalTemperature ( )

static

Definition at line 404 of file G4Molecule.cc.

G4double G4Molecule::GetKineticEnergy

(

)

const

Definition at line 298 of file G4Molecule.cc.

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G4double G4Molecule::GetMass

(

)

const

Returns the total mass of the molecule.

Definition at line 369 of file G4Molecule.cc.

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G4MolecularConfiguration * G4Molecule::GetMolecularConfiguration

(

)

const

Definition at line 394 of file G4Molecule.cc.

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G4int G4Molecule::GetMoleculeID

(

)

const

Definition at line 334 of file G4Molecule.cc.

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const G4String & G4Molecule::GetName ( void  ) const

virtual

Returns the name of the molecule

Implements G4IT.

Definition at line 243 of file G4Molecule.cc.

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G4double G4Molecule::GetNbElectrons

(

)

const

Returns the number of electron.

Definition at line 253 of file G4Molecule.cc.

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G4double G4Molecule::GetVanDerVaalsRadius

(

)

const

Definition at line 354 of file G4Molecule.cc.

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void G4Molecule::IonizeMolecule

(

G4int

IonizedLevel

)

Method used in Geant4-DNA to ionize water molecules

Definition at line 223 of file G4Molecule.cc.

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void G4Molecule::MoveOneElectron	(	G4int	orbitToFree,
		G4int	orbitToFill
	)

Move one electron from an orbit to another.

Definition at line 238 of file G4Molecule.cc.

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void G4Molecule::operator delete ( void *  aMolecule )

inline

Definition at line 261 of file G4Molecule.hh.

void * G4Molecule::operator new ( size_t  )

inline

Definition at line 253 of file G4Molecule.hh.

G4bool G4Molecule::operator!=

(

const G4Molecule &

right

)

const

Definition at line 104 of file G4Molecule.cc.

G4bool G4Molecule::operator<

(

const G4Molecule &

right

)

const

The two methods below are the most called of the simulation : compare molecules in the MoleculeStackManager or in the InteractionTable

Definition at line 114 of file G4Molecule.cc.

G4Molecule & G4Molecule::operator=

(

const G4Molecule &

right

)

Definition at line 88 of file G4Molecule.cc.

G4bool G4Molecule::operator==

(

const G4Molecule &

right

)

const

Definition at line 95 of file G4Molecule.cc.

void G4Molecule::Print ( void  ) const

virtual

Reimplemented from G4IT.

Definition at line 77 of file G4Molecule.cc.

void G4Molecule::PrintState

(

)

const

Show the electronic state of the molecule.

Definition at line 258 of file G4Molecule.cc.

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void G4Molecule::RemoveElectron	(	G4int	orbit,
		G4int	number = 1
	)

Remove n electrons to a given orbit.

Definition at line 233 of file G4Molecule.cc.

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void G4Molecule::SetDecayTime

(

G4double

dynDecayTime

)

Set the decay time of the molecule.

Definition at line 339 of file G4Molecule.cc.

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void G4Molecule::SetDiffusionCoefficient

(

G4double

dynDiffusionCoefficient

)

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 384 of file G4Molecule.cc.

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void G4Molecule::SetElectronOccupancy

(

const G4ElectronOccupancy *

occ

)

Will set up the correct molecularConfiguration given an electron configuration

Definition at line 209 of file G4Molecule.cc.

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void G4Molecule::SetGlobalTemperature ( G4double  temperature )

static

Definition at line 399 of file G4Molecule.cc.

void G4Molecule::SetMass

(

G4double

aMass

)

Set the total mass of the molecule.

Definition at line 364 of file G4Molecule.cc.

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void G4Molecule::SetVanDerVaalsRadius

(

G4double

dynVanDerVaalsRadius

)

The Van Der Valls Radius of the molecule

Definition at line 349 of file G4Molecule.cc.

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---

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

• source/source/processes/electromagnetic/dna/molecules/management/include/G4Molecule.hh
• source/source/processes/electromagnetic/dna/molecules/management/src/G4Molecule.cc