Geant4 11.2.2
Toolkit for the simulation of the passage of particles through matter
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G4Molecule Class Reference

#include <G4Molecule.hh>

+ Inheritance diagram for G4Molecule:

Public Member Functions

 ITDef (G4Molecule) void Print() const override
 
void * operator new (size_t)
 
void operator delete (void *)
 
 G4Molecule (const G4Molecule &)
 
G4Moleculeoperator= (const G4Molecule &right)
 
G4bool operator== (const G4Molecule &right) const
 
G4bool operator!= (const G4Molecule &right) const
 
G4bool operator< (const G4Molecule &right) const
 
 operator int () const
 
G4ITType GetITSubType () const override
 
 G4Molecule (G4MoleculeDefinition *pMoleculeDefinition)
 
 G4Molecule (G4MoleculeDefinition *pMoleculeDefinition, int charge)
 
 G4Molecule (G4MoleculeDefinition *pMoleculeDefinition, G4int, G4int)
 
 G4Molecule (G4MoleculeDefinition *pMoleculeDefinition, G4int, G4bool)
 
 G4Molecule (const G4MolecularConfiguration *)
 
 ~G4Molecule () override
 
const G4StringGetName () const override
 
const G4StringGetFormatedName () 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
 
G4TrackBuildTrack (G4double globalTime, const G4ThreeVector &Position)
 
G4double GetKineticEnergy () const
 
G4double GetDiffusionVelocity () const
 
const std::vector< const G4MolecularDissociationChannel * > * GetDissociationChannels () const
 
G4int GetFakeParticleID () const
 
G4int GetMoleculeID () const
 
const G4MoleculeDefinitionGetDefinition () const
 
void SetDiffusionCoefficient (G4double)
 
G4double GetDiffusionCoefficient () const
 
G4double GetDiffusionCoefficient (const G4Material *, double temperature) const
 
void SetDecayTime (G4double)
 
G4double GetDecayTime () const
 
void SetVanDerVaalsRadius (G4double)
 
G4double GetVanDerVaalsRadius () const
 
const G4ElectronOccupancyGetElectronOccupancy () const
 
G4int GetCharge () const
 
void SetMass (G4double)
 
G4double GetMass () const
 
const G4StringGetLabel () const
 
void SetLabel (const G4String &label)
 
void ChangeConfigurationToLabel (const G4String &label)
 
const G4MolecularConfigurationGetMolecularConfiguration () const
 
- Public Member Functions inherited from G4IT
 G4IT ()
 
 G4IT (G4Track *)
 
 ~G4IT () override
 
void Print () const override
 
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 *)
 
G4TrackGetTrack ()
 
const G4TrackGetTrack () const
 
void RecordCurrentPositionNTime ()
 
const G4ThreeVectorGetPosition () const
 
double operator[] (int i) const
 
const G4ThreeVectorGetPreStepPosition () const
 
G4double GetPreStepLocalTime () const
 
G4double GetPreStepGlobalTime () const
 
void SetPrevious (G4IT *)
 
void SetNext (G4IT *)
 
G4ITGetPrevious ()
 
G4ITGetNext ()
 
const G4ITGetPrevious () const
 
const G4ITGetNext () const
 
void SetITBox (G4ITBox *)
 
const G4ITBoxGetITBox () const
 
void TakeOutBox ()
 
void SetNode (G4KDNode_Base *)
 
G4KDNode_BaseGetNode () const
 
void SetParentID (int, int)
 
void GetParentID (int &, int &)
 
G4TrackingInformationGetTrackingInfo ()
 
G4TrackListNodeGetListNode ()
 
void SetListNode (G4TrackListNode *node)
 
virtual const G4ITType GetITType () const =0
 
- Public Member Functions inherited from G4VUserTrackInformation
 G4VUserTrackInformation ()=default
 
 G4VUserTrackInformation (const G4String &infoType)
 
 G4VUserTrackInformation (const G4VUserTrackInformation &)
 
G4VUserTrackInformationoperator= (const G4VUserTrackInformation &)
 
virtual ~G4VUserTrackInformation ()
 
const G4StringGetType () const
 

Static Public Member Functions

static G4MoleculeGetMolecule (const G4Track *)
 

Additional Inherited Members

- Protected Member Functions inherited from G4IT
 G4IT (const G4IT &)
 
G4IToperator= (const G4IT &)
 
- Protected Attributes inherited from G4IT
G4TrackfpTrack
 
- Protected Attributes inherited from G4VUserTrackInformation
G4StringpType = nullptr
 

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 98 of file G4Molecule.hh.

Constructor & Destructor Documentation

◆ G4Molecule() [1/6]

G4Molecule::G4Molecule ( const G4Molecule & right)

Definition at line 102 of file G4Molecule.cc.

103 : G4VUserTrackInformation("G4Molecule")
104 , G4IT(right)
105{
106 fpMolecularConfiguration = right.fpMolecularConfiguration;
107}
G4IT()
Definition G4IT.cc:67
G4VUserTrackInformation()=default

Referenced by G4Molecule(), G4Molecule(), G4Molecule(), G4Molecule(), G4Molecule(), and G4Molecule().

◆ G4Molecule() [2/6]

G4Molecule::G4Molecule ( G4MoleculeDefinition * pMoleculeDefinition)

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 173 of file G4Molecule.cc.

174 : G4VUserTrackInformation("G4Molecule")
175{
176 fpMolecularConfiguration = G4MolecularConfiguration::GetOrCreateMolecularConfiguration(pMoleculeDefinition);
177}
static G4MolecularConfiguration * GetOrCreateMolecularConfiguration(const G4MoleculeDefinition *)

◆ G4Molecule() [3/6]

G4Molecule::G4Molecule ( G4MoleculeDefinition * pMoleculeDefinition,
int charge )

Definition at line 181 of file G4Molecule.cc.

182{
183 fpMolecularConfiguration = G4MolecularConfiguration::GetOrCreateMolecularConfiguration(pMoleculeDefinition,
184 charge);
185}

◆ G4Molecule() [4/6]

G4Molecule::G4Molecule ( G4MoleculeDefinition * pMoleculeDefinition,
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 192 of file G4Molecule.cc.

195 : G4VUserTrackInformation("G4Molecule")
196{
197 if (pMoleculeDefinition->GetGroundStateElectronOccupancy() != nullptr)
198 {
199 G4ElectronOccupancy dynElectronOccupancy(*pMoleculeDefinition->GetGroundStateElectronOccupancy());
200
201 if (OrbitalToFill != 0)
202 {
203 dynElectronOccupancy.RemoveElectron(OrbitalToFree - 1, 1);
204 dynElectronOccupancy.AddElectron(OrbitalToFill - 1, 1);
205 // dynElectronOccupancy.DumpInfo(); // DEBUG
206 }
207
208 if (OrbitalToFill == 0)
209 {
210 dynElectronOccupancy.RemoveElectron(OrbitalToFree - 1, 1);
211 // dynElectronOccupancy.DumpInfo(); // DEBUG
212 }
213
214 fpMolecularConfiguration =
216 pMoleculeDefinition, dynElectronOccupancy);
217 }
218 else
219 {
220 fpMolecularConfiguration = nullptr;
222 "G4Molecule::G4Molecule(G4MoleculeDefinition* pMoleculeDefinition, "
223 "G4int OrbitalToFree, G4int OrbitalToFill)",
224 "G4Molecule_wrong_usage_of_constructor",
226 "If you want to use this constructor, the molecule definition has to be "
227 "first defined with electron occupancies");
228 }
229}
@ FatalErrorInArgument
void G4Exception(const char *originOfException, const char *exceptionCode, G4ExceptionSeverity severity, const char *description)
const G4ElectronOccupancy * GetGroundStateElectronOccupancy() const

◆ G4Molecule() [5/6]

G4Molecule::G4Molecule ( G4MoleculeDefinition * pMoleculeDefinition,
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 236 of file G4Molecule.cc.

239 : G4VUserTrackInformation("G4Molecule")
240{
241 if (pMoleculeDefinition->GetGroundStateElectronOccupancy() != nullptr)
242 {
243 G4ElectronOccupancy dynElectronOccupancy(*pMoleculeDefinition->GetGroundStateElectronOccupancy());
244
245 if (excitation)
246 {
247 dynElectronOccupancy.RemoveElectron(level, 1);
248 dynElectronOccupancy.AddElectron(5, 1);
249 // dynElectronOccupancy.DumpInfo(); // DEBUG
250 }
251 else
252 {
253 dynElectronOccupancy.RemoveElectron(level, 1);
254 // dynElectronOccupancy.DumpInfo(); // DEBUG
255 }
256
257 fpMolecularConfiguration = G4MolecularConfiguration::GetOrCreateMolecularConfiguration(pMoleculeDefinition,
258 dynElectronOccupancy);
259 }
260 else
261 {
262 fpMolecularConfiguration = nullptr;
264 "G4Molecule::G4Molecule(G4MoleculeDefinition* pMoleculeDefinition, "
265 "G4int OrbitalToFree, G4int OrbitalToFill)",
266 "G4Molecule_wrong_usage_of_constructor",
268 "If you want to use this constructor, the molecule definition has to be "
269 "first defined with electron occupancies");
270 }
271}

◆ G4Molecule() [6/6]

G4Molecule::G4Molecule ( const G4MolecularConfiguration * pMolecularConfiguration)

Definition at line 275 of file G4Molecule.cc.

276{
277 fpMolecularConfiguration = pMolecularConfiguration;
278}

◆ ~G4Molecule()

G4Molecule::~G4Molecule ( )
override

Definition at line 153 of file G4Molecule.cc.

154{
155 if (fpTrack != nullptr)
156 {
157 if (G4VMoleculeCounter::Instance()->InUse())
158 {
160 RemoveAMoleculeAtTime(fpMolecularConfiguration,
162 &(fpTrack->GetPosition()));
163 }
164 fpTrack = nullptr;
165 }
166 fpMolecularConfiguration = nullptr;
167}
G4Track * fpTrack
Definition G4IT.hh:167
const G4ThreeVector & GetPosition() const
G4double GetGlobalTime() const
static G4VMoleculeCounter * Instance()

Member Function Documentation

◆ AddElectron()

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 305 of file G4Molecule.cc.

306{
307 fpMolecularConfiguration = fpMolecularConfiguration->AddElectron(orbit, number);
308}
G4MolecularConfiguration * AddElectron(G4int orbit, G4int n=1) const

◆ BuildTrack()

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

Definition at line 363 of file G4Molecule.cc.

365{
366 if (fpTrack != nullptr)
367 {
368 G4Exception("G4Molecule::BuildTrack", "Molecule001", FatalErrorInArgument,
369 "A track was already assigned to this molecule");
370 }
371
372 // Kinetic Values
373 // Set a random direction to the molecule
374 G4double costheta = (2 * G4UniformRand() - 1);
375 G4double theta = acos(costheta);
376 G4double phi = 2 * pi * G4UniformRand();
377
378 G4double xMomentum = cos(phi) * sin(theta);
379 G4double yMomentum = sin(theta) * sin(phi);
380 G4double zMomentum = costheta;
381
382 G4ThreeVector MomentumDirection(xMomentum, yMomentum, zMomentum);
384
385 auto dynamicParticle = new G4DynamicParticle(
386 fpMolecularConfiguration->GetDefinition(), MomentumDirection,
387 KineticEnergy);
388
389 if (G4VMoleculeCounter::Instance()->InUse())
390 {
392 AddAMoleculeAtTime(fpMolecularConfiguration,
393 globalTime,
394 &(fpTrack->GetPosition()));
395 }
396
397 //Set the Track
398 fpTrack = new G4Track(dynamicParticle, globalTime, position);
400
401 return fpTrack;
402}
double G4double
Definition G4Types.hh:83
#define G4UniformRand()
Definition Randomize.hh:52
const G4MoleculeDefinition * GetDefinition() const
G4double GetKineticEnergy() const
void SetUserInformation(G4VUserTrackInformation *aValue) const

◆ ChangeConfigurationToLabel()

void G4Molecule::ChangeConfigurationToLabel ( const G4String & label)

Definition at line 536 of file G4Molecule.cc.

537{
538 // TODO check fpMolecularConfiguration already exists
539 // and new one as well
540 // TODO notify for stack change
542 fpMolecularConfiguration->GetDefinition(), label);
543
544 assert(fpMolecularConfiguration != nullptr);
545}
static G4MolecularConfiguration * GetMolecularConfiguration(const G4MoleculeDefinition *, const G4String &label)

◆ ExciteMolecule()

void G4Molecule::ExciteMolecule ( G4int excitationLevel)

Method used in Geant4-DNA to excite water molecules

Definition at line 291 of file G4Molecule.cc.

292{
293 fpMolecularConfiguration = fpMolecularConfiguration->ExciteMolecule(excitationLevel);
294}
G4MolecularConfiguration * ExciteMolecule(G4int) const

◆ GetAtomsNumber()

G4int G4Molecule::GetAtomsNumber ( ) const

Returns the nomber of atoms compouning the molecule

Definition at line 342 of file G4Molecule.cc.

343{
344 return fpMolecularConfiguration->GetAtomsNumber();
345}

◆ GetCharge()

G4int G4Molecule::GetCharge ( ) const

Returns the charge of molecule.

Definition at line 478 of file G4Molecule.cc.

479{
480 return fpMolecularConfiguration->GetCharge();
481}

◆ GetDecayTime()

G4double G4Molecule::GetDecayTime ( ) const

Returns the decay time of the molecule.

Definition at line 464 of file G4Molecule.cc.

465{
466 return fpMolecularConfiguration->GetDecayTime();
467}

Referenced by G4DNAMolecularDissociation::GetMeanLifeTime().

◆ GetDefinition()

const G4MoleculeDefinition * G4Molecule::GetDefinition ( ) const

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

Definition at line 499 of file G4Molecule.cc.

500{
501 return fpMolecularConfiguration->GetDefinition();
502}

◆ GetDiffusionCoefficient() [1/2]

G4double G4Molecule::GetDiffusionCoefficient ( ) const

Returns the diffusion coefficient D.

Definition at line 506 of file G4Molecule.cc.

507{
508 return fpMolecularConfiguration->GetDiffusionCoefficient();
509}

Referenced by G4DNABrownianTransportation::AlongStepGetPhysicalInteractionLength(), G4DNABrownianTransportation::ComputeStep(), and G4DNAIRT::Sampling().

◆ GetDiffusionCoefficient() [2/2]

G4double G4Molecule::GetDiffusionCoefficient ( const G4Material * pMaterial,
double temperature ) const

Returns the diffusion coefficient D.

Definition at line 513 of file G4Molecule.cc.

515{
516 return fpMolecularConfiguration->GetDiffusionCoefficient(pMaterial,
517 temperature);
518}

◆ GetDiffusionVelocity()

G4double G4Molecule::GetDiffusionVelocity ( ) const

Definition at line 418 of file G4Molecule.cc.

419{
420 double moleculeMass = fpMolecularConfiguration->GetMass() / (c_squared);
421
422 ////
423 // Different possibilities
424 ////
425 // Ideal Gaz case : Maxwell Boltzmann Distribution
426 // double sigma = k_Boltzmann * fgTemperature / mass;
427 // return G4RandGauss::shoot( 0, sigma );
428 ////
429 // Ideal Gaz case : mean velocity from equipartition theorem
430 return sqrt(3 * k_Boltzmann *
432 ////
433 // Using this approximation for liquid is wrong
434 // However the brownian process avoid taking
435 // care of energy consideration and plays only
436 // with positions
437}

Referenced by GetKineticEnergy().

◆ GetDissociationChannels()

const vector< const G4MolecularDissociationChannel * > * G4Molecule::GetDissociationChannels ( ) const

Definition at line 443 of file G4Molecule.cc.

444{
445 return fpMolecularConfiguration->GetDissociationChannels();
446}
const std::vector< const G4MolecularDissociationChannel * > * GetDissociationChannels() const

◆ GetElectronOccupancy()

const G4ElectronOccupancy * G4Molecule::GetElectronOccupancy ( ) const

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

Definition at line 492 of file G4Molecule.cc.

493{
494 return fpMolecularConfiguration->GetElectronOccupancy();
495}
const G4ElectronOccupancy * GetElectronOccupancy() const

◆ GetFakeParticleID()

G4int G4Molecule::GetFakeParticleID ( ) const

Definition at line 450 of file G4Molecule.cc.

451{
452 return fpMolecularConfiguration->GetFakeParticleID();
453}

◆ GetFormatedName()

const G4String & G4Molecule::GetFormatedName ( ) const

Returns the formated name of the molecule

Definition at line 335 of file G4Molecule.cc.

336{
337 return fpMolecularConfiguration->GetFormatedName();
338}
const G4String & GetFormatedName() const

◆ GetITSubType()

G4ITType G4Molecule::GetITSubType ( ) const
inlineoverridevirtual

Reimplemented from G4IT.

Definition at line 130 of file G4Molecule.hh.

131 {
132 return GetMoleculeID();
133 }
G4int GetMoleculeID() const

◆ GetKineticEnergy()

G4double G4Molecule::GetKineticEnergy ( ) const

Definition at line 406 of file G4Molecule.cc.

407{
408 ////
409 // Ideal Gaz case
410 double v = GetDiffusionVelocity();
411 double E = (fpMolecularConfiguration->GetMass() / (c_squared)) * (v * v) / 2.;
412 ////
413 return E;
414}
G4double GetDiffusionVelocity() const

Referenced by BuildTrack().

◆ GetLabel()

const G4String & G4Molecule::GetLabel ( ) const

Returns the label of the molecule configuration

Definition at line 529 of file G4Molecule.cc.

530{
531 return fpMolecularConfiguration->GetLabel();
532}
const G4String & GetLabel() const

◆ GetMass()

G4double G4Molecule::GetMass ( ) const

Returns the total mass of the molecule.

Definition at line 485 of file G4Molecule.cc.

486{
487 return fpMolecularConfiguration->GetMass();
488}

◆ GetMolecularConfiguration()

◆ GetMolecule()

G4Molecule * G4Molecule::GetMolecule ( const G4Track * track)
static

Definition at line 88 of file G4Molecule.cc.

89{
90 return (G4Molecule*)(GetIT(track));
91}
G4IT * GetIT(const G4Track *track)
Definition G4IT.cc:48

Referenced by G4DNAIRT::Sampling().

◆ GetMoleculeID()

G4int G4Molecule::GetMoleculeID ( ) const

Definition at line 457 of file G4Molecule.cc.

458{
459 return fpMolecularConfiguration->GetMoleculeID();
460}

Referenced by GetITSubType(), and operator int().

◆ GetName()

◆ GetNbElectrons()

G4double G4Molecule::GetNbElectrons ( ) const

Returns the number of electron.

Definition at line 349 of file G4Molecule.cc.

350{
351 return fpMolecularConfiguration->GetNbElectrons();
352}

◆ GetVanDerVaalsRadius()

G4double G4Molecule::GetVanDerVaalsRadius ( ) const

Definition at line 471 of file G4Molecule.cc.

472{
473 return fpMolecularConfiguration->GetVanDerVaalsRadius();
474}

◆ IonizeMolecule()

void G4Molecule::IonizeMolecule ( G4int ionizationLevel)

Method used in Geant4-DNA to ionize water molecules

Definition at line 298 of file G4Molecule.cc.

299{
300 fpMolecularConfiguration = fpMolecularConfiguration->IonizeMolecule(ionizationLevel);
301}
G4MolecularConfiguration * IonizeMolecule(G4int) const

◆ ITDef()

G4Molecule::ITDef ( G4Molecule ) const
override

◆ MoveOneElectron()

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

Move one electron from an orbit to another.

Definition at line 320 of file G4Molecule.cc.

321{
322 fpMolecularConfiguration =
323 fpMolecularConfiguration->MoveOneElectron(orbitToFree, orbitToFill);
324}
G4MolecularConfiguration * MoveOneElectron(G4int, G4int) const

◆ operator delete()

void G4Molecule::operator delete ( void * aMolecule)
inline

Definition at line 313 of file G4Molecule.hh.

315{
316 aMoleculeAllocator()->FreeSingle((G4Molecule *)aMolecule);
317}
G4DLLIMPORT G4Allocator< G4Molecule > *& aMoleculeAllocator()
Definition G4Molecule.cc:59

◆ operator int()

G4Molecule::operator int ( ) const
inline

Definition at line 125 of file G4Molecule.hh.

126 {
127 return GetMoleculeID();
128 }

◆ operator new()

void * G4Molecule::operator new ( size_t )
inline

Definition at line 302 of file G4Molecule.hh.

304{
305 if (aMoleculeAllocator() == nullptr)
306 {
308 }
309 return (void *)aMoleculeAllocator()->MallocSingle();
310}

◆ operator!=()

G4bool G4Molecule::operator!= ( const G4Molecule & right) const

Definition at line 127 of file G4Molecule.cc.

128{
129 return !(*this == right);
130}

◆ operator<()

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 138 of file G4Molecule.cc.

139{
140 return fpMolecularConfiguration < right.fpMolecularConfiguration;
141}

◆ operator=()

G4Molecule & G4Molecule::operator= ( const G4Molecule & right)

Definition at line 111 of file G4Molecule.cc.

112{
113 if (&right == this) return *this;
114 fpMolecularConfiguration = right.fpMolecularConfiguration;
115 return *this;
116}

◆ operator==()

G4bool G4Molecule::operator== ( const G4Molecule & right) const

Definition at line 120 of file G4Molecule.cc.

121{
122 return fpMolecularConfiguration == right.fpMolecularConfiguration;
123}

◆ PrintState()

void G4Molecule::PrintState ( ) const

Show the electronic state of the molecule.

Definition at line 356 of file G4Molecule.cc.

357{
358 fpMolecularConfiguration->PrintState();
359}

◆ RemoveElectron()

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

Remove n electrons to a given orbit.

Definition at line 312 of file G4Molecule.cc.

313{
314 fpMolecularConfiguration =
315 fpMolecularConfiguration->RemoveElectron(orbit, number);
316}
G4MolecularConfiguration * RemoveElectron(G4int, G4int number=1) const

◆ SetDecayTime()

void G4Molecule::SetDecayTime ( G4double )

Set the decay time of the molecule.

◆ SetDiffusionCoefficient()

void G4Molecule::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. In three dimension : <x^2> = 6 D t where t is the mean jump time between two changes of direction.

◆ SetElectronOccupancy()

void G4Molecule::SetElectronOccupancy ( const G4ElectronOccupancy * pElectronOcc)

Will set up the correct molecularConfiguration given an electron configuration

Definition at line 282 of file G4Molecule.cc.

283{
284 fpMolecularConfiguration =
286 *pElectronOcc);
287}

◆ SetLabel()

void G4Molecule::SetLabel ( const G4String & label)

◆ SetMass()

void G4Molecule::SetMass ( G4double )

Set the total mass of the molecule.

◆ SetVanDerVaalsRadius()

void G4Molecule::SetVanDerVaalsRadius ( G4double )

The Van Der Valls Radius of the molecule


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