Geant4-11
Public Member Functions | Static Public Member Functions | Protected Types | Protected Member Functions | Protected Attributes | Static Protected Attributes
G4EmDNAChemistry_option2 Class Reference

#include <G4EmDNAChemistry_option2.hh>

Inheritance diagram for G4EmDNAChemistry_option2:
G4VUserChemistryList G4VPhysicsConstructor

Public Member Functions

void BuildPhysicsTable ()
 
void ConstructDissociationChannels () override
 
void ConstructMolecule () override
 
void ConstructParticle () override
 
void ConstructProcess () override
 
void ConstructReactionTable (G4DNAMolecularReactionTable *pTable) override
 
void ConstructTimeStepModel (G4DNAMolecularReactionTable *pTable) override
 
 G4EmDNAChemistry_option2 ()
 
G4int GetInstanceID () const
 
const G4String & GetPhysicsName () const
 
G4int GetPhysicsType () const
 
G4int GetVerboseLevel () const
 
bool IsPhysicsConstructor ()
 
void SetPhysicsName (const G4String &="")
 
void SetPhysicsType (G4int)
 
void SetVerboseLevel (G4int value)
 
virtual void TerminateWorker ()
 
void ThisIsAPhysicsConstructor (bool flag=true)
 
virtual ~G4EmDNAChemistry_option2 () override
 

Static Public Member Functions

static const G4VPCManager & GetSubInstanceManager ()
 

Protected Types

using PhysicsBuilder_V = G4VPCData::PhysicsBuilders_V
 

Protected Member Functions

void AddBuilder (G4PhysicsBuilderInterface *bld)
 
void BuildPhysicsTable (G4MoleculeDefinition *)
 
PhysicsBuilder_V GetBuilders () const
 
G4ParticleTable::G4PTblDicIterator * GetParticleIterator () const
 
G4bool RegisterProcess (G4VProcess *process, G4ParticleDefinition *particle)
 
void RegisterTimeStepModel (G4VITStepModel *timeStepModel, double startingTime=0)
 

Protected Attributes

bool fIsPhysicsConstructor
 
G4int g4vpcInstanceID = 0
 
G4String namePhysics = ""
 
G4ParticleTable * theParticleTable = nullptr
 
G4int typePhysics = 0
 
int verboseLevel
 
G4int verboseLevel = 0
 

Static Protected Attributes

static G4RUN_DLL G4VPCManager subInstanceManager
 

Detailed Description

Definition at line 37 of file G4EmDNAChemistry_option2.hh.

Member Typedef Documentation

◆ PhysicsBuilder_V

using G4VPhysicsConstructor::PhysicsBuilder_V = G4VPCData::PhysicsBuilders_V
protectedinherited

Definition at line 149 of file G4VPhysicsConstructor.hh.

Constructor & Destructor Documentation

◆ G4EmDNAChemistry_option2()

G4EmDNAChemistry_option2::G4EmDNAChemistry_option2 ( )

Definition at line 63 of file G4EmDNAChemistry_option2.cc.

64 : G4VUserChemistryList(true)
65{
66 G4DNAChemistryManager::Instance()->SetChemistryList(this);
67}
G4DNAChemistryManager::Instance
static G4DNAChemistryManager * Instance()
Definition: G4DNAChemistryManager.cc:132
G4DNAChemistryManager::SetChemistryList
void SetChemistryList(G4VUserChemistryList &)
Definition: G4DNAChemistryManager.cc:714
G4VUserChemistryList::G4VUserChemistryList
G4VUserChemistryList(bool flag=true)
Definition: G4VUserChemistryList.cc:41

References G4DNAChemistryManager::Instance(), and G4DNAChemistryManager::SetChemistryList().

◆ ~G4EmDNAChemistry_option2()

G4EmDNAChemistry_option2::~G4EmDNAChemistry_option2 ( )
overridevirtual

Definition at line 71 of file G4EmDNAChemistry_option2.cc.

72{}

Member Function Documentation

◆ AddBuilder()

void G4VPhysicsConstructor::AddBuilder ( G4PhysicsBuilderInterface *  bld)
protectedinherited

Definition at line 99 of file G4VPhysicsConstructor.cc.

100{
101 (subInstanceManager.offset[g4vpcInstanceID])._builders->push_back(bld);
102}
G4VPhysicsConstructor::subInstanceManager
static G4RUN_DLL G4VPCManager subInstanceManager
Definition: G4VPhysicsConstructor.hh:171
G4VUPLSplitter::offset
G4RUN_DLL G4ThreadLocalStatic T * offset
Definition: G4VUPLSplitter.hh:187

References G4VPhysicsConstructor::g4vpcInstanceID, G4VUPLSplitter< T >::offset, and G4VPhysicsConstructor::subInstanceManager.

Referenced by G4HadronPhysicsFTFP_BERT::Kaon(), G4HadronPhysicsFTF_BIC::Kaon(), G4HadronPhysicsINCLXX::Kaon(), G4HadronPhysicsFTFP_BERT::Neutron(), G4HadronPhysicsQGSP_BERT::Neutron(), G4HadronPhysicsQGSP_BIC::Neutron(), G4HadronPhysicsFTF_BIC::Neutron(), G4HadronPhysicsFTFP_BERT_HP::Neutron(), G4HadronPhysicsINCLXX::Neutron(), G4HadronPhysicsQGS_BIC::Neutron(), G4HadronPhysicsQGSP_BERT_HP::Neutron(), G4HadronPhysicsQGSP_BIC_HP::Neutron(), G4HadronPhysicsShielding::Neutron(), G4HadronPhysicsFTFP_BERT::Pion(), G4HadronPhysicsQGSP_BERT::Pion(), G4HadronPhysicsQGSP_BIC::Pion(), G4HadronPhysicsFTF_BIC::Pion(), G4HadronPhysicsINCLXX::Pion(), G4HadronPhysicsQGS_BIC::Pion(), G4HadronPhysicsFTFP_BERT::Proton(), G4HadronPhysicsQGSP_BERT::Proton(), G4HadronPhysicsQGSP_BIC::Proton(), G4HadronPhysicsFTF_BIC::Proton(), G4HadronPhysicsINCLXX::Proton(), G4HadronPhysicsNuBeam::Proton(), G4HadronPhysicsQGS_BIC::Proton(), and G4HadronPhysicsQGSP_BIC_AllHP::Proton().

◆ BuildPhysicsTable() [1/2]

void G4VUserChemistryList::BuildPhysicsTable ( )
inherited

Definition at line 62 of file G4VUserChemistryList.cc.

63{
64 G4MoleculeTable* theMoleculeTable = G4MoleculeTable::Instance();
65
66 G4MoleculeDefinitionIterator iterator =
67 theMoleculeTable->GetDefintionIterator();
68
69 iterator.reset();
70 while (iterator())
71 {
72 G4MoleculeDefinition* moleculeDef = iterator.value();
73 BuildPhysicsTable(moleculeDef);
74 }
75}
G4MoleculeTable::GetDefintionIterator
G4MoleculeDefinitionIterator GetDefintionIterator()
Definition: G4MoleculeTable.hh:116
G4MoleculeTable::Instance
static G4MoleculeTable * Instance()
Definition: G4MoleculeTable.cc:53

References G4VUserChemistryList::BuildPhysicsTable(), G4MoleculeTable::GetDefintionIterator(), G4MoleculeTable::Instance(), G4MoleculeIterator< MOLECULE >::reset(), and G4MoleculeIterator< MOLECULE >::value().

Referenced by G4VUserChemistryList::BuildPhysicsTable().

◆ BuildPhysicsTable() [2/2]

void G4VUserChemistryList::BuildPhysicsTable ( G4MoleculeDefinition *  moleculeDef)
protectedinherited

Definition at line 77 of file G4VUserChemistryList.cc.

78{
79 //Get processes from master thread;
80 G4ProcessManager* pManager = moleculeDef->GetProcessManager();
81
82 if (!pManager)
83 {
84#ifdef G4VERBOSE
85 if (verboseLevel > 0)
86 {
87 G4cout << "G4VUserPhysicsList::BuildPhysicsTable "
88 << " : No Process Manager for " << moleculeDef->GetParticleName()
89 << G4endl;
90 G4cout << moleculeDef->GetParticleName()
91 << " should be created in your PhysicsList" <<G4endl;
92 }
93#endif
94 G4Exception("G4VUserChemistryList::BuildPhysicsTable",
95 "Run0271", FatalException,
96 "No process manager");
97 return;
98 }
99
100 G4ProcessManager* pManagerShadow = moleculeDef->GetMasterProcessManager();
101 G4ProcessVector* pVector = pManager->GetProcessList();
102 if (!pVector)
103 {
104#ifdef G4VERBOSE
105 if (verboseLevel > 0)
106 {
107 G4cout << "G4VUserChemistryList::BuildPhysicsTable "
108 << " : No Process Vector for " << moleculeDef->GetParticleName()
109 << G4endl;
110 }
111#endif
112 G4Exception("G4VUserChemistryList::BuildPhysicsTable",
113 "Run0272", FatalException,
114 "No process Vector");
115 return;
116 }
117#ifdef G4VERBOSE
118 if (verboseLevel > 2)
119 {
120 G4cout << "G4VUserChemistryList::BuildPhysicsTable %%%%%% "
121 << moleculeDef->GetParticleName() << G4endl;
122 G4cout << " ProcessManager : " << pManager
123 << " ProcessManagerShadow : " << pManagerShadow << G4endl;
124 for(std::size_t iv1=0;iv1<pVector->size();++iv1)
125 {
126 G4cout << " " << iv1 << " - " << (*pVector)[iv1]->GetProcessName()
127 << G4endl;
128 }
129 G4cout << "--------------------------------------------------------------"
130 << G4endl;
131 G4ProcessVector* pVectorShadow = pManagerShadow->GetProcessList();
132
133 for(std::size_t iv2=0;iv2<pVectorShadow->size();++iv2)
134 {
135 G4cout << " " << iv2 << " - " << (*pVectorShadow)[iv2]->GetProcessName()
136 << G4endl;
137 }
138 }
139#endif
140 for (std::size_t j = 0; j < pVector->size(); ++j)
141 {
142 //Andrea July 16th 2013 : migration to new interface...
143 //Infer if we are in a worker thread or master thread
144 //Master thread is the one in which the process manager
145 // and process manager shadow pointers are the same
146 if (pManagerShadow == pManager)
147 {
148 (*pVector)[j]->BuildPhysicsTable(*moleculeDef);
149 }
150 else
151 {
152 (*pVector)[j]->BuildWorkerPhysicsTable(*moleculeDef);
153 }
154
155 }
156}
FatalException
@ FatalException
Definition: G4ExceptionSeverity.hh:61
G4Exception
void G4Exception(const char *originOfException, const char *exceptionCode, G4ExceptionSeverity severity, const char *description)
Definition: G4Exception.cc:35
G4endl
#define G4endl
Definition: G4ios.hh:57
G4cout
G4GLOB_DLL std::ostream G4cout
G4ParticleDefinition::GetProcessManager
G4ProcessManager * GetProcessManager() const
Definition: G4ParticleDefinition.cc:238
G4ParticleDefinition::GetMasterProcessManager
G4ProcessManager * GetMasterProcessManager() const
G4ParticleDefinition::GetParticleName
const G4String & GetParticleName() const
Definition: G4ParticleDefinition.hh:109
G4ProcessManager::GetProcessList
G4ProcessVector * GetProcessList() const
G4ProcessVector::size
std::size_t size() const

References FatalException, G4cout, G4endl, G4Exception(), G4ParticleDefinition::GetMasterProcessManager(), G4ParticleDefinition::GetParticleName(), G4ProcessManager::GetProcessList(), G4ParticleDefinition::GetProcessManager(), G4ProcessVector::size(), and G4VUserChemistryList::verboseLevel.

◆ ConstructDissociationChannels()

void G4EmDNAChemistry_option2::ConstructDissociationChannels ( )
overridevirtual

Reimplemented from G4VUserChemistryList.

Definition at line 162 of file G4EmDNAChemistry_option2.cc.

163{
164//-----------------------------------
165//Get the molecular configuration
166 G4MolecularConfiguration* OH =
167 G4MoleculeTable::Instance()->GetConfiguration("OH");
168 G4MolecularConfiguration* OHm =
169 G4MoleculeTable::Instance()->GetConfiguration("OHm");
170 G4MolecularConfiguration* e_aq =
171 G4MoleculeTable::Instance()->GetConfiguration("e_aq");
172 G4MolecularConfiguration* H2 =
173 G4MoleculeTable::Instance()->GetConfiguration("H2");
174 G4MolecularConfiguration* H3O =
175 G4MoleculeTable::Instance()->GetConfiguration("H3Op");
176 G4MolecularConfiguration* H =
177 G4MoleculeTable::Instance()->GetConfiguration("H");
178
179//-------------------------------------
180//Define the decay channels
181 G4MoleculeDefinition* water = G4H2O::Definition();
182 G4MolecularDissociationChannel* decCh1;
183 G4MolecularDissociationChannel* decCh2;
184
185 G4ElectronOccupancy* occ = new G4ElectronOccupancy(
186 *(water->GetGroundStateElectronOccupancy()));
187
189// EXCITATIONS //
191 G4DNAWaterExcitationStructure waterExcitation;
192//--------------------------------------------------------
193//---------------Excitation on the fifth layer------------
194
195 decCh1 = new G4MolecularDissociationChannel(
196 "A^1B_1_Relaxation");
197 decCh2 = new G4MolecularDissociationChannel(
198 "A^1B_1_DissociativeDecay");
199
200//Decay 1 : OH + H
201 decCh1->SetEnergy(waterExcitation.ExcitationEnergy(0));
202 decCh1->SetProbability(0.35);
203 decCh1->SetDisplacementType(
204 G4DNAWaterDissociationDisplacer::NoDisplacement);
205
206 decCh2->AddProduct(OH);
207 decCh2->AddProduct(H);
208 decCh2->SetProbability(0.65);
209 decCh2->SetDisplacementType(
210 G4DNAWaterDissociationDisplacer::A1B1_DissociationDecay);
211
212// water->AddExcitedState("A^1B_1");
213// this is the transition form ground state to
214 occ->RemoveElectron(4, 1);
215// the first unoccupied orbital: A^1B_1
216 occ->AddElectron(5, 1);
217
218 water->NewConfigurationWithElectronOccupancy("A^1B_1", *occ);
219 water->AddDecayChannel("A^1B_1", decCh1);
220 water->AddDecayChannel("A^1B_1", decCh2);
221
222//--------------------------------------------------------
223//---------------Excitation on the fourth layer-----------
224 decCh1 = new G4MolecularDissociationChannel(
225 "B^1A_1_Relaxation_Channel");
226 decCh2 = new G4MolecularDissociationChannel(
227 "B^1A_1_DissociativeDecay");
228 G4MolecularDissociationChannel* decCh3 =
229 new G4MolecularDissociationChannel("B^1A_1_AutoIonisation_Channel");
230
231//Decay 1 : energy
232 decCh1->SetEnergy(waterExcitation.ExcitationEnergy(1));
233 decCh1->SetProbability(0.3);
234
235//Decay 2 : 2OH + H_2
236 decCh2->AddProduct(H2);
237 decCh2->AddProduct(OH);
238 decCh2->AddProduct(OH);
239 decCh2->SetProbability(0.15);
240 decCh2->SetDisplacementType(
241 G4DNAWaterDissociationDisplacer::B1A1_DissociationDecay);
242
243//Decay 3 : OH + H_3Op + e_aq
244 decCh3->AddProduct(OH);
245 decCh3->AddProduct(H3O);
246 decCh3->AddProduct(e_aq);
247 decCh3->SetProbability(0.55);
248 decCh3->SetDisplacementType(
249 G4DNAWaterDissociationDisplacer::AutoIonisation);
250
251 *occ = *(water->GetGroundStateElectronOccupancy());
252 occ->RemoveElectron(3); // this is the transition form ground state to
253 occ->AddElectron(5, 1); // the first unoccupied orbital: B^1A_1
254
255 water->NewConfigurationWithElectronOccupancy("B^1A_1", *occ);
256 water->AddDecayChannel("B^1A_1", decCh1);
257 water->AddDecayChannel("B^1A_1", decCh2);
258 water->AddDecayChannel("B^1A_1", decCh3);
259
260//-------------------------------------------------------
261//-------------------Excitation of 3rd layer-----------------
262 decCh1 = new G4MolecularDissociationChannel(
263 "Excitation3rdLayer_AutoIonisation_Channel");
264 decCh2 = new G4MolecularDissociationChannel(
265 "Excitation3rdLayer_Relaxation_Channel");
266
267//Decay channel 1 : : OH + H_3Op + e_aq
268 decCh1->AddProduct(OH);
269 decCh1->AddProduct(H3O);
270 decCh1->AddProduct(e_aq);
271
272 decCh1->SetProbability(0.5);
273 decCh1->SetDisplacementType(
274 G4DNAWaterDissociationDisplacer::AutoIonisation);
275
276//Decay channel 2 : energy
277 decCh2->SetEnergy(waterExcitation.ExcitationEnergy(2));
278 decCh2->SetProbability(0.5);
279
280//Electronic configuration of this decay
281 *occ = *(water->GetGroundStateElectronOccupancy());
282 occ->RemoveElectron(2, 1);
283 occ->AddElectron(5, 1);
284
285//Configure the water molecule
286 water->NewConfigurationWithElectronOccupancy(
287 "Excitation3rdLayer", *occ);
288 water->AddDecayChannel("Excitation3rdLayer", decCh1);
289 water->AddDecayChannel("Excitation3rdLayer", decCh2);
290
291//-------------------------------------------------------
292//-------------------Excitation of 2nd layer-----------------
293 decCh1 = new G4MolecularDissociationChannel(
294 "Excitation2ndLayer_AutoIonisation_Channel");
295 decCh2 = new G4MolecularDissociationChannel(
296 "Excitation2ndLayer_Relaxation_Channel");
297
298//Decay Channel 1 : : OH + H_3Op + e_aq
299 decCh1->AddProduct(OH);
300 decCh1->AddProduct(H3O);
301 decCh1->AddProduct(e_aq);
302
303 decCh1->SetProbability(0.5);
304 decCh1->SetDisplacementType(
305 G4DNAWaterDissociationDisplacer::AutoIonisation);
306
307//Decay channel 2 : energy
308 decCh2->SetEnergy(waterExcitation.ExcitationEnergy(3));
309 decCh2->SetProbability(0.5);
310
311 *occ = *(water->GetGroundStateElectronOccupancy());
312 occ->RemoveElectron(1, 1);
313 occ->AddElectron(5, 1);
314
315 water->NewConfigurationWithElectronOccupancy(
316 "Excitation2ndLayer", *occ);
317 water->AddDecayChannel("Excitation2ndLayer", decCh1);
318 water->AddDecayChannel("Excitation2ndLayer", decCh2);
319
320//-------------------------------------------------------
321//-------------------Excitation of 1st layer-----------------
322 decCh1 = new G4MolecularDissociationChannel(
323 "Excitation1stLayer_AutoIonisation_Channel");
324 decCh2 = new G4MolecularDissociationChannel(
325 "Excitation1stLayer_Relaxation_Channel");
326
327 *occ = *(water->GetGroundStateElectronOccupancy());
328 occ->RemoveElectron(0, 1);
329 occ->AddElectron(5, 1);
330
331//Decay Channel 1 : : OH + H_3Op + e_aq
332 decCh1->AddProduct(OH);
333 decCh1->AddProduct(H3O);
334 decCh1->AddProduct(e_aq);
335 decCh1->SetProbability(0.5);
336 decCh1->SetDisplacementType(
337 G4DNAWaterDissociationDisplacer::AutoIonisation);
338
339//Decay channel 2 : energy
340 decCh2->SetEnergy(waterExcitation.ExcitationEnergy(4));
341 decCh2->SetProbability(0.5);
342
343 water->NewConfigurationWithElectronOccupancy(
344 "Excitation1stLayer", *occ);
345 water->AddDecayChannel("Excitation1stLayer", decCh1);
346 water->AddDecayChannel("Excitation1stLayer", decCh2);
347
349// IONISATION //
351//--------------------------------------------------------
352//------------------- Ionisation -------------------------
353
354 decCh1 = new G4MolecularDissociationChannel("Ionisation_Channel");
355
356//Decay Channel 1 : : OH + H_3Op
357 decCh1->AddProduct(H3O);
358 decCh1->AddProduct(OH);
359 decCh1->SetProbability(1);
360 decCh1->SetDisplacementType(
361 G4DNAWaterDissociationDisplacer::Ionisation_DissociationDecay);
362
363 *occ = *(water->GetGroundStateElectronOccupancy());
364 occ->RemoveElectron(4, 1);
365// this is a ionized h2O with a hole in its last orbital
366 water->NewConfigurationWithElectronOccupancy("Ionisation5", *occ);
367 water->AddDecayChannel("Ionisation5", decCh1);
368
369 *occ = *(water->GetGroundStateElectronOccupancy());
370 occ->RemoveElectron(3, 1);
371 water->NewConfigurationWithElectronOccupancy("Ionisation4", *occ);
372 water->AddDecayChannel("Ionisation4",
373 new G4MolecularDissociationChannel(*decCh1));
374
375 *occ = *(water->GetGroundStateElectronOccupancy());
376 occ->RemoveElectron(2, 1);
377 water->NewConfigurationWithElectronOccupancy("Ionisation3", *occ);
378 water->AddDecayChannel("Ionisation3",
379 new G4MolecularDissociationChannel(*decCh1));
380
381 *occ = *(water->GetGroundStateElectronOccupancy());
382 occ->RemoveElectron(1, 1);
383 water->NewConfigurationWithElectronOccupancy("Ionisation2", *occ);
384 water->AddDecayChannel("Ionisation2",
385 new G4MolecularDissociationChannel(*decCh1));
386
387 *occ = *(water->GetGroundStateElectronOccupancy());
388 occ->RemoveElectron(0, 1);
389 water->NewConfigurationWithElectronOccupancy("Ionisation1", *occ);
390 water->AddDecayChannel("Ionisation1",
391 new G4MolecularDissociationChannel(*decCh1));
392
394// Dissociative Attachment //
396 decCh1 = new G4MolecularDissociationChannel(
397 "DissociativeAttachment");
398
399//Decay 1 : 2OH + H_2
400 decCh1->AddProduct(H2);
401 decCh1->AddProduct(OHm);
402 decCh1->AddProduct(OH);
403 decCh1->SetProbability(1);
404 decCh1->SetDisplacementType(
405 G4DNAWaterDissociationDisplacer::DissociativeAttachment);
406
407 *occ = *(water->GetGroundStateElectronOccupancy());
408 occ->AddElectron(5, 1); // H_2O^-
409 water->NewConfigurationWithElectronOccupancy(
410 "DissociativeAttachment", *occ);
411 water->AddDecayChannel(
412 "DissociativeAttachment", decCh1);
413
415 // Electron-hole recombination //
417 decCh1 = new G4MolecularDissociationChannel("H2Ovib_DissociationDecay1");
418 decCh2 = new G4MolecularDissociationChannel("H2Ovib_DissociationDecay2");
419 decCh3 = new G4MolecularDissociationChannel("H2Ovib_DissociationDecay3");
420
421//Decay 1 : 2OH + H_2
422 decCh1->AddProduct(H2);
423 decCh1->AddProduct(OH);
424 decCh1->AddProduct(OH);
425 decCh1->SetProbability(0.15);
426 decCh1->SetDisplacementType(G4DNAWaterDissociationDisplacer::
427 B1A1_DissociationDecay);
428
429//Decay 2 : OH + H
430 decCh2->AddProduct(OH);
431 decCh2->AddProduct(H);
432 decCh2->SetProbability(0.55);
433 decCh2->SetDisplacementType(G4DNAWaterDissociationDisplacer::
434 A1B1_DissociationDecay);
435
436//Decay 3 : relaxation
437 decCh3->SetProbability(0.30);
438
439 const auto pH2Ovib = G4H2O::Definition()->NewConfiguration("H2Ovib");
440 assert(pH2Ovib != nullptr);
441
442 water->AddDecayChannel(pH2Ovib, decCh1);
443 water->AddDecayChannel(pH2Ovib, decCh2);
444 water->AddDecayChannel(pH2Ovib, decCh3);
445
446 delete occ;
447}
G4ElectronOccupancy::AddElectron
G4int AddElectron(G4int orbit, G4int number=1)
Definition: G4ElectronOccupancy.cc:139
G4ElectronOccupancy::RemoveElectron
G4int RemoveElectron(G4int orbit, G4int number=1)
Definition: G4ElectronOccupancy.cc:161
G4H2O::Definition
static G4H2O * Definition()
Definition: G4H2O.cc:42
G4MolecularDissociationChannel::AddProduct
void AddProduct(Product *, G4double displacement=0.)
Definition: G4MolecularDissociationChannel.cc:60
G4MoleculeDefinition::GetGroundStateElectronOccupancy
const G4ElectronOccupancy * GetGroundStateElectronOccupancy() const
Definition: G4MoleculeDefinition.hh:240
G4MoleculeDefinition::AddDecayChannel
void AddDecayChannel(const G4MolecularConfiguration *molConf, const G4MolecularDissociationChannel *channel)
Definition: G4MoleculeDefinition.cc:223
G4MoleculeDefinition::NewConfiguration
G4MolecularConfiguration * NewConfiguration(const G4String &excitedStateLabel)
Definition: G4MoleculeDefinition.cc:147
G4MoleculeDefinition::NewConfigurationWithElectronOccupancy
G4MolecularConfiguration * NewConfigurationWithElectronOccupancy(const G4String &excitedStateLabel, const G4ElectronOccupancy &, double decayTime=0.)
Definition: G4MoleculeDefinition.cc:170
G4MoleculeTable::GetConfiguration
G4MolecularConfiguration * GetConfiguration(const G4String &, bool mustExist=true)
Definition: G4MoleculeTable.cc:105

References G4MoleculeDefinition::AddDecayChannel(), G4ElectronOccupancy::AddElectron(), G4MolecularDissociationChannel::AddProduct(), G4H2O::Definition(), G4DNAWaterExcitationStructure::ExcitationEnergy(), G4MoleculeTable::GetConfiguration(), G4MoleculeDefinition::GetGroundStateElectronOccupancy(), G4MoleculeTable::Instance(), G4MoleculeDefinition::NewConfiguration(), G4MoleculeDefinition::NewConfigurationWithElectronOccupancy(), G4ElectronOccupancy::RemoveElectron(), G4MolecularDissociationChannel::SetDisplacementType(), G4MolecularDissociationChannel::SetEnergy(), and G4MolecularDissociationChannel::SetProbability().

◆ ConstructMolecule()

void G4EmDNAChemistry_option2::ConstructMolecule ( )
overridevirtual

Reimplemented from G4VUserChemistryList.

Definition at line 76 of file G4EmDNAChemistry_option2.cc.

77{
78 //-----------------------------------
79 G4Electron::Definition(); // safety
80 //-----------------------------------
81 G4H2O::Definition();
82 G4Hydrogen::Definition();
83 G4H3O::Definition();
84 G4OH::Definition();
85 G4Electron_aq::Definition();
86 G4H2O2::Definition();
87 G4H2::Definition();
88 G4Deoxyribose::Definition();
89 G4Phosphate::Definition();
90 G4Adenine::Definition();
91 G4Guanine::Definition();
92 G4Thymine::Definition();
93 G4Cytosine::Definition();
94 G4Histone::Definition();
95//damaged molecules
96 G4DamagedDeoxyribose::Definition();
97 G4DamagedAdenine::Definition();
98 G4DamagedGuanine::Definition();
99 G4DamagedThymine::Definition();
100 G4DamagedCytosine::Definition();
101 G4ModifiedHistone::Definition();
102
103//_________________species___________________________________________________________
104
105 G4MoleculeTable::Instance()->
106 CreateConfiguration("H3Op", G4H3O::Definition());
107 G4MolecularConfiguration* OHm = G4MoleculeTable::Instance()->
108 CreateConfiguration("OHm",
109 G4OH::Definition(),
110 -1, // charge
111 5.0e-9 * (m2 / s));
112 OHm->SetMass(17.0079 * g / Avogadro * c_squared);
113 G4MoleculeTable::Instance()->
114 CreateConfiguration("OH", G4OH::Definition());
115 G4MoleculeTable::Instance()->
116 CreateConfiguration("e_aq",G4Electron_aq::Definition());
117 G4MoleculeTable::Instance()->
118 CreateConfiguration("H",G4Hydrogen::Definition());
119 G4MoleculeTable::Instance()->
120 CreateConfiguration("H2", G4H2::Definition());
121 G4MoleculeTable::Instance()->
122 CreateConfiguration("H2O2", G4H2O2::Definition());
123
124//________________DNA_______________________________________________
125
126 G4MoleculeTable::Instance()->
127 CreateConfiguration("Deoxyribose",G4Deoxyribose::Definition());
128 G4MoleculeTable::Instance()->
129 CreateConfiguration("Phosphate",G4Phosphate::Definition());
130 G4MoleculeTable::Instance()->
131 CreateConfiguration("Adenine",G4Adenine::Definition());
132 G4MoleculeTable::Instance()->
133 CreateConfiguration("Thymine",G4Thymine::Definition());
134 G4MoleculeTable::Instance()->
135 CreateConfiguration("Guanine",G4Guanine::Definition());
136 G4MoleculeTable::Instance()->
137 CreateConfiguration("Cytosine",G4Cytosine::Definition());
138 G4MoleculeTable::Instance()->
139 CreateConfiguration("Histone",G4Histone::Definition());
140
141//damaged DNAElement Configuration
142
143 G4MoleculeTable::Instance()->
144 CreateConfiguration("Damaged_Deoxyribose",
145 G4DamagedDeoxyribose::Definition());
146 G4MoleculeTable::Instance()->
147 CreateConfiguration("Damaged_Adenine",
148 G4DamagedAdenine::Definition());
149 G4MoleculeTable::Instance()->
150 CreateConfiguration("Damaged_Thymine",
151 G4DamagedThymine::Definition());
152 G4MoleculeTable::Instance()->
153 CreateConfiguration("Damaged_Guanine",
154 G4DamagedGuanine::Definition());
155 G4MoleculeTable::Instance()->
156 CreateConfiguration("Damaged_Cytosine",
157 G4DamagedCytosine::Definition());
158}
s
static constexpr double s
Definition: G4SIunits.hh:154
g
static constexpr double g
Definition: G4SIunits.hh:168
m2
static constexpr double m2
Definition: G4SIunits.hh:110
G4Adenine::Definition
static G4Adenine * Definition()
Definition: G4DNAMolecule.cc:225
G4Cytosine::Definition
static G4Cytosine * Definition()
Definition: G4DNAMolecule.cc:305
G4DamagedAdenine::Definition
static G4DamagedAdenine * Definition()
Definition: G4DNAMolecule.cc:66
G4DamagedCytosine::Definition
static G4DamagedCytosine * Definition()
Definition: G4DNAMolecule.cc:146
G4DamagedDeoxyribose::Definition
static G4DamagedDeoxyribose * Definition()
Definition: G4DNAMolecule.cc:39
G4DamagedGuanine::Definition
static G4DamagedGuanine * Definition()
Definition: G4DNAMolecule.cc:93
G4DamagedThymine::Definition
static G4DamagedThymine * Definition()
Definition: G4DNAMolecule.cc:119
G4Deoxyribose::Definition
static G4Deoxyribose * Definition()
Definition: G4DNAMolecule.cc:173
G4Electron_aq::Definition
static G4Electron_aq * Definition()
Definition: G4Electron_aq.cc:45
G4Electron::Definition
static G4Electron * Definition()
Definition: G4Electron.cc:48
G4Guanine::Definition
static G4Guanine * Definition()
Definition: G4DNAMolecule.cc:251
G4H2O2::Definition
static G4H2O2 * Definition()
Definition: G4H2O2.cc:45
G4H2::Definition
static G4H2 * Definition()
Definition: G4H2.cc:45
G4H3O::Definition
static G4H3O * Definition()
Definition: G4H3O.cc:46
G4Histone::Definition
static G4Histone * Definition()
Definition: G4DNAMolecule.cc:358
G4Hydrogen::Definition
static G4Hydrogen * Definition()
Definition: G4Hydrogen.cc:45
G4ModifiedHistone::Definition
static G4ModifiedHistone * Definition()
Definition: G4DNAMolecule.cc:331
G4OH::Definition
static G4OH * Definition()
Definition: G4OH.cc:45
G4Phosphate::Definition
static G4Phosphate * Definition()
Definition: G4DNAMolecule.cc:199
G4Thymine::Definition
static G4Thymine * Definition()
Definition: G4DNAMolecule.cc:279
source.hepunit.Avogadro
float Avogadro
Definition: hepunit.py:252
source.hepunit.c_squared
float c_squared
Definition: hepunit.py:257

References source.hepunit::Avogadro, source.hepunit::c_squared, G4Electron::Definition(), G4DamagedDeoxyribose::Definition(), G4DamagedAdenine::Definition(), G4DamagedGuanine::Definition(), G4DamagedThymine::Definition(), G4DamagedCytosine::Definition(), G4Deoxyribose::Definition(), G4Phosphate::Definition(), G4Adenine::Definition(), G4Guanine::Definition(), G4Thymine::Definition(), G4Cytosine::Definition(), G4ModifiedHistone::Definition(), G4Histone::Definition(), G4Electron_aq::Definition(), G4H2::Definition(), G4H2O::Definition(), G4H2O2::Definition(), G4H3O::Definition(), G4Hydrogen::Definition(), G4OH::Definition(), g, G4MoleculeTable::Instance(), m2, s, and G4MolecularConfiguration::SetMass().

Referenced by ConstructParticle().

◆ ConstructParticle()

void G4EmDNAChemistry_option2::ConstructParticle ( )
inlineoverridevirtual

Implements G4VPhysicsConstructor.

Definition at line 45 of file G4EmDNAChemistry_option2.hh.

46 {
47 ConstructMolecule();
48 }
G4EmDNAChemistry_option2::ConstructMolecule
void ConstructMolecule() override
Definition: G4EmDNAChemistry_option2.cc:76

References ConstructMolecule().

◆ ConstructProcess()

void G4EmDNAChemistry_option2::ConstructProcess ( )
overridevirtual

Reimplemented from G4VUserChemistryList.

Definition at line 701 of file G4EmDNAChemistry_option2.cc.

702{
703 auto pPhysicsListHelper =
704 G4PhysicsListHelper::GetPhysicsListHelper();
705 G4VProcess* pProcess =
706 G4ProcessTable::GetProcessTable()->
707 FindProcess("e-_G4DNAVibExcitation", "e-");
708
709 if (pProcess != nullptr)
710 {
711 G4DNAVibExcitation* pVibExcitation =
712 (G4DNAVibExcitation*) pProcess;
713 G4VEmModel* pModel = pVibExcitation->EmModel();
714 G4DNASancheExcitationModel* pSancheExcitationMod =
715 dynamic_cast<G4DNASancheExcitationModel*>(pModel);
716 if(pSancheExcitationMod != nullptr)
717 {
718 pSancheExcitationMod->ExtendLowEnergyLimit(0.025 * eV);
719 }
720 }
721
722//===============================================================
723// Electron Solvatation
724//
725 pProcess = G4ProcessTable::GetProcessTable()->
726 FindProcess("e-_G4DNAElectronSolvation", "e-");
727
728 if (pProcess == nullptr)
729 {
730 pPhysicsListHelper->
731 RegisterProcess(new G4DNAElectronSolvation(
732 "e-_G4DNAElectronSolvation"), G4Electron::Definition());
733 }
734
735//===============================================================
736// Define processes for molecules
737//
738 G4MoleculeTable* pMoleculeTable =
739 G4MoleculeTable::Instance();
740 G4MoleculeDefinitionIterator iterator =
741 pMoleculeTable->GetDefintionIterator();
742 iterator.reset();
743 while (iterator())
744 {
745 G4MoleculeDefinition* pMoleculeDef = iterator.value();
746
747 if(pMoleculeDef != G4H2O::Definition())
748 {
749 G4DNABrownianTransportation* pBrownianTransport =
750 new G4DNABrownianTransportation();
751 pPhysicsListHelper->
752 RegisterProcess(pBrownianTransport, pMoleculeDef);
753 }
754 else
755 {
756 pMoleculeDef->GetProcessManager()->
757 AddRestProcess(new G4DNAElectronHoleRecombination(), 2);
758 G4DNAMolecularDissociation* pDissociationProcess =
759 new G4DNAMolecularDissociation("H2O_DNAMolecularDecay");
760 pDissociationProcess->SetDisplacer(pMoleculeDef,
761 new G4DNAWaterDissociationDisplacer);
762 pDissociationProcess->SetVerboseLevel(1);
763
764 pMoleculeDef->GetProcessManager()->
765 AddRestProcess(pDissociationProcess, 1);
766 }
767 }
768 G4DNAChemistryManager::Instance()->Initialize();
769}
eV
static constexpr double eV
Definition: G4SIunits.hh:201
G4DNAMolecularDissociation::SetDisplacer
void SetDisplacer(Species *, Displacer *)
Definition: G4DNAMolecularDissociation.cc:285
G4PhysicsListHelper::GetPhysicsListHelper
static G4PhysicsListHelper * GetPhysicsListHelper()
Definition: G4PhysicsListHelper.cc:89
G4ProcessTable::GetProcessTable
static G4ProcessTable * GetProcessTable()
Definition: G4ProcessTable.cc:108
G4VEmProcess::EmModel
G4VEmModel * EmModel(size_t index=0) const
Definition: G4VEmProcess.hh:805
G4VPhysicsConstructor::RegisterProcess
G4bool RegisterProcess(G4VProcess *process, G4ParticleDefinition *particle)
Definition: G4VPhysicsConstructor.hh:206
G4VProcess::SetVerboseLevel
void SetVerboseLevel(G4int value)
Definition: G4VProcess.hh:412

References G4Electron::Definition(), G4H2O::Definition(), G4VEmProcess::EmModel(), eV, G4DNASancheExcitationModel::ExtendLowEnergyLimit(), G4MoleculeTable::GetDefintionIterator(), G4PhysicsListHelper::GetPhysicsListHelper(), G4ParticleDefinition::GetProcessManager(), G4ProcessTable::GetProcessTable(), G4DNAChemistryManager::Initialize(), G4MoleculeTable::Instance(), G4DNAChemistryManager::Instance(), G4VPhysicsConstructor::RegisterProcess(), G4MoleculeIterator< MOLECULE >::reset(), G4DNAMolecularDissociation::SetDisplacer(), G4VProcess::SetVerboseLevel(), and G4MoleculeIterator< MOLECULE >::value().

◆ ConstructReactionTable()

void G4EmDNAChemistry_option2::ConstructReactionTable ( G4DNAMolecularReactionTable *  pTable)
overridevirtual

Implements G4VUserChemistryList.

Definition at line 451 of file G4EmDNAChemistry_option2.cc.

453{
454//-----------------------------------
455//Get the molecular configuration
456 G4MolecularConfiguration* OH =
457 G4MoleculeTable::Instance()->GetConfiguration("OH");
458 G4MolecularConfiguration* OHm =
459 G4MoleculeTable::Instance()->GetConfiguration("OHm");
460 G4MolecularConfiguration* e_aq =
461 G4MoleculeTable::Instance()->GetConfiguration("e_aq");
462 G4MolecularConfiguration* H2 =
463 G4MoleculeTable::Instance()->GetConfiguration("H2");
464 G4MolecularConfiguration* H3Op =
465 G4MoleculeTable::Instance()->GetConfiguration("H3Op");
466 G4MolecularConfiguration* H =
467 G4MoleculeTable::Instance()->GetConfiguration("H");
468 G4MolecularConfiguration* H2O2 =
469 G4MoleculeTable::Instance()->GetConfiguration("H2O2");
470
471 G4MolecularConfiguration* deoxyribose =
472 G4MoleculeTable::Instance()->GetConfiguration("Deoxyribose");
473 G4MolecularConfiguration* adenine =
474 G4MoleculeTable::Instance()->GetConfiguration("Adenine");
475 G4MolecularConfiguration* guanine =
476 G4MoleculeTable::Instance()->GetConfiguration("Guanine");
477 G4MolecularConfiguration* thymine =
478 G4MoleculeTable::Instance()->GetConfiguration("Thymine");
479 G4MolecularConfiguration* cytosine =
480 G4MoleculeTable::Instance()->GetConfiguration("Cytosine");
481 G4MolecularConfiguration* histone =
482 G4MoleculeTable::Instance()->GetConfiguration("Histone");
483
484 G4MolecularConfiguration* damage_deoxyribose =
485 G4MoleculeTable::Instance()->GetConfiguration("Damaged_Deoxyribose");
486 G4MolecularConfiguration* damage_adenine =
487 G4MoleculeTable::Instance()->GetConfiguration("Damaged_Adenine");
488 G4MolecularConfiguration* damage_guanine =
489 G4MoleculeTable::Instance()->GetConfiguration("Damaged_Guanine");
490 G4MolecularConfiguration* damage_thymine =
491 G4MoleculeTable::Instance()->GetConfiguration("Damaged_Thymine");
492 G4MolecularConfiguration* damage_cytosine =
493 G4MoleculeTable::Instance()->GetConfiguration("Damaged_Cytosine");
494
495//------------------------------------------------------------------
496// e_aq + e_aq + 2H2O -> H2 + 2OH-
497 G4DNAMolecularReactionData* reactionData =
498 new G4DNAMolecularReactionData(
499 0.5e10 * (1e-3 * m3 / (mole * s)), e_aq, e_aq);
500 reactionData->AddProduct(OHm);
501 reactionData->AddProduct(OHm);
502 reactionData->AddProduct(H2);
503 theReactionTable->SetReaction(reactionData);
504//------------------------------------------------------------------
505// e_aq + *OH -> OH-
506 reactionData = new G4DNAMolecularReactionData(
507 2.95e10 * (1e-3 * m3 / (mole * s)), e_aq, OH);
508 reactionData->AddProduct(OHm);
509 theReactionTable->SetReaction(reactionData);
510//------------------------------------------------------------------
511// e_aq + H* + H2O -> H2 + OH-
512 reactionData = new G4DNAMolecularReactionData(
513 2.65e10 * (1e-3 * m3 / (mole * s)), e_aq, H);
514 reactionData->AddProduct(OHm);
515 reactionData->AddProduct(H2);
516 theReactionTable->SetReaction(reactionData);
517//------------------------------------------------------------------
518// e_aq + H3O+ -> H* + H2O
519 reactionData = new G4DNAMolecularReactionData(
520 2.11e10 * (1e-3 * m3 / (mole * s)), e_aq, H3Op);
521 reactionData->AddProduct(H);
522 theReactionTable->SetReaction(reactionData);
523
524//------------------------------------------------------------------
525// e_aq + H2O2 -> OH- + *OH
526 reactionData = new G4DNAMolecularReactionData(
527 1.41e10 * (1e-3 * m3 / (mole * s)), e_aq, H2O2);
528 reactionData->AddProduct(OHm);
529 reactionData->AddProduct(OH);
530 theReactionTable->SetReaction(reactionData);
531//------------------------------------------------------------------
532// *OH + *OH -> H2O2
533 reactionData = new G4DNAMolecularReactionData(
534 0.44e10 * (1e-3 * m3 / (mole * s)), OH, OH);
535 reactionData->AddProduct(H2O2);
536 theReactionTable->SetReaction(reactionData);
537//------------------------------------------------------------------
538// *OH + *H -> H2O
539 theReactionTable->SetReaction(
540 1.44e10 * (1e-3 * m3 / (mole * s)), OH, H);
541//------------------------------------------------------------------
542// *H + *H -> H2
543 reactionData = new G4DNAMolecularReactionData(
544 1.20e10 * (1e-3 * m3 / (mole * s)), H, H);
545 reactionData->AddProduct(H2);
546 theReactionTable->SetReaction(reactionData);
547//------------------------------------------------------------------
548// H3O+ + OH- -> 2H2O
549 theReactionTable->SetReaction(
550 1.43e11 * (1e-3 * m3 / (mole * s)), H3Op, OHm);
551//------------------------------------------------------------------
552
553// DNA additions
554
555// OH and DNA
556
557// 2-Deoxyribose + OH -> damagedDeoxyribose
558 reactionData = new G4DNAMolecularReactionData(
559 1.80e9*(1e-3*m3/(mole*s)), deoxyribose, OH);
560 reactionData->AddProduct(damage_deoxyribose);
561 theReactionTable->SetReaction(reactionData);
562
563 // adenine + OH -> ...
564 reactionData = new G4DNAMolecularReactionData(
565 6.10e9*(1e-3*m3/(mole*s)), adenine, OH);
566 reactionData->AddProduct(damage_adenine);
567 theReactionTable->SetReaction(reactionData);
568
569 // guanine + OH -> ...
570 reactionData = new G4DNAMolecularReactionData(
571 9.20e9*(1e-3*m3/(mole*s)), guanine, OH);
572 reactionData->AddProduct(damage_guanine);
573 theReactionTable->SetReaction(reactionData);
574
575 // thymine + OH -> ...
576 reactionData = new G4DNAMolecularReactionData(
577 6.40e9*(1e-3*m3/(mole*s)), thymine, OH);
578 reactionData->AddProduct(damage_thymine);
579 theReactionTable->SetReaction(reactionData);
580
581 // cytosine + OH -> ...
582 reactionData = new G4DNAMolecularReactionData(
583 6.10e9*(1e-3*m3/(mole*s)), cytosine, OH);
584 reactionData->AddProduct(damage_cytosine);
585 theReactionTable->SetReaction(reactionData);
586
587 // Hydrated e- and DNA
588
589 // Deoxyribose + Hydrated e- -> ...
590 reactionData = new G4DNAMolecularReactionData(
591 0.01e9*(1e-3*m3/(mole*s)), deoxyribose, e_aq);
592 reactionData->AddProduct(damage_deoxyribose);
593 theReactionTable->SetReaction(reactionData);
594
595 // adenine + Hydrated e- -> ...
596 reactionData = new G4DNAMolecularReactionData(
597 9e9*(1e-3*m3/(mole*s)), adenine, e_aq);
598 reactionData->AddProduct(damage_adenine);
599 theReactionTable->SetReaction(reactionData);
600
601 // guanine + Hydrated e- -> ...
602 reactionData = new G4DNAMolecularReactionData(
603 14e9*(1e-3*m3/(mole*s)), guanine, e_aq);
604 reactionData->AddProduct(damage_guanine);
605 theReactionTable->SetReaction(reactionData);
606
607 // thymine + Hydrated e- -> ...
608 reactionData = new G4DNAMolecularReactionData(
609 18e9*(1e-3*m3/(mole*s)), thymine, e_aq);
610 reactionData->AddProduct(damage_thymine);
611 theReactionTable->SetReaction(reactionData);
612
613 // cytosine + Hydrated e- -> ...
614 reactionData = new G4DNAMolecularReactionData(
615 13e9*(1e-3*m3/(mole*s)), cytosine, e_aq);
616 reactionData->AddProduct(damage_cytosine);
617 theReactionTable->SetReaction(reactionData);
618
619 // Radical H and DNA
620
621 // Deoxyribose + Radical H -> ...
622 reactionData = new G4DNAMolecularReactionData(
623 0.029e9*(1e-3*m3/(mole*s)), deoxyribose, H);
624 reactionData->AddProduct(damage_deoxyribose);
625 //eactionData->SetEffectiveReactionRadius(0);
626
627 theReactionTable->SetReaction(reactionData);
628
629 // adenine + Radical H -> ...
630 reactionData = new G4DNAMolecularReactionData(
631 0.10e9*(1e-3*m3/(mole*s)), adenine, H);
632 reactionData->AddProduct(damage_adenine);
633 theReactionTable->SetReaction(reactionData);
634
635 // thymine + Radical H -> ...
636 reactionData = new G4DNAMolecularReactionData(
637 0.57e9*(1e-3*m3/(mole*s)), thymine, H);
638 reactionData->AddProduct(damage_thymine);
639 theReactionTable->SetReaction(reactionData);
640
641 // cytosine + Radical H -> ...
642 reactionData = new G4DNAMolecularReactionData(
643 0.092e9*(1e-3*m3/(mole*s)), cytosine, H);
644 reactionData->AddProduct(damage_cytosine);
645 theReactionTable->SetReaction(reactionData);
646
647 //histone + all molecules -> modification(or "damage")
648
649 reactionData = new G4DNAMolecularReactionData(
650 0.0*(1e-3*m3/(mole*s)), histone, OH);
651 reactionData->AddProduct(histone);
652 reactionData->SetEffectiveReactionRadius(
653 2.4*nm + G4OH::Definition()->GetVanDerVaalsRadius());
654 theReactionTable->SetReaction(reactionData);
655
656 reactionData = new G4DNAMolecularReactionData(
657 0.0*(1e-3*m3/(mole*s)), histone, OHm);
658 reactionData->AddProduct(histone);
659 reactionData->SetEffectiveReactionRadius(
660 2.4*nm + G4OH::Definition()->GetVanDerVaalsRadius());
661 theReactionTable->SetReaction(reactionData);
662
663 reactionData = new G4DNAMolecularReactionData(
664 0.0*(1e-3*m3/(mole*s)), histone, e_aq);
665 reactionData->AddProduct(histone);
666 reactionData->SetEffectiveReactionRadius(
667 2.4*nm + G4Electron_aq::Definition()->GetVanDerVaalsRadius());
668 theReactionTable->SetReaction(reactionData);
669
670 reactionData = new G4DNAMolecularReactionData(
671 0.0*(1e-3*m3/(mole*s)), histone, H2);
672 reactionData->AddProduct(histone);
673 reactionData->SetEffectiveReactionRadius(
674 2.4*nm + G4H2::Definition()->GetVanDerVaalsRadius());
675 theReactionTable->SetReaction(reactionData);
676
677 reactionData = new G4DNAMolecularReactionData(
678 0.0*(1e-3*m3/(mole*s)), histone, H3Op);
679 reactionData->AddProduct(histone);
680 reactionData->SetEffectiveReactionRadius(
681 2.4*nm + G4H3O::Definition()->GetVanDerVaalsRadius());
682 theReactionTable->SetReaction(reactionData);
683
684 reactionData = new G4DNAMolecularReactionData(
685 0.0*(1e-3*m3/(mole*s)), histone, H);
686 reactionData->AddProduct(histone);
687 reactionData->SetEffectiveReactionRadius(
688 2.4*nm + G4Hydrogen::Definition()->GetVanDerVaalsRadius());
689 theReactionTable->SetReaction(reactionData);
690
691 reactionData = new G4DNAMolecularReactionData(
692 0.0*(1e-3*m3/(mole*s)), histone, H2O2);
693 reactionData->AddProduct(histone);
694 reactionData->SetEffectiveReactionRadius(
695 2.4*nm + G4H2O2::Definition()->GetVanDerVaalsRadius());
696 theReactionTable->SetReaction(reactionData);
697}
mole
static constexpr double mole
Definition: G4SIunits.hh:279
nm
static constexpr double nm
Definition: G4SIunits.hh:92
m3
static constexpr double m3
Definition: G4SIunits.hh:111
G4DNAMolecularReactionData::SetEffectiveReactionRadius
void SetEffectiveReactionRadius(G4double radius)
Definition: G4DNAMolecularReactionTable.cc:250

References G4DNAMolecularReactionData::AddProduct(), G4Electron_aq::Definition(), G4H2::Definition(), G4H2O2::Definition(), G4H3O::Definition(), G4Hydrogen::Definition(), G4OH::Definition(), G4MoleculeTable::GetConfiguration(), G4MoleculeTable::Instance(), m3, mole, nm, s, G4DNAMolecularReactionData::SetEffectiveReactionRadius(), and G4DNAMolecularReactionTable::SetReaction().

◆ ConstructTimeStepModel()

void G4EmDNAChemistry_option2::ConstructTimeStepModel ( G4DNAMolecularReactionTable *  pTable)
overridevirtual

Implements G4VUserChemistryList.

Definition at line 774 of file G4EmDNAChemistry_option2.cc.

776{
777 G4VDNAReactionModel* reactionRadiusComputer =
778 new G4DNASmoluchowskiReactionModel();
779 reactionTable->PrintTable(reactionRadiusComputer);
780
781 G4DNAMolecularStepByStepModel* stepByStep =
782 new G4DNAMolecularStepByStepModel();
783 stepByStep->SetReactionModel(reactionRadiusComputer);
784
785 RegisterTimeStepModel(stepByStep, 0);
786}
G4DNAMolecularStepByStepModel::SetReactionModel
void SetReactionModel(G4VDNAReactionModel *)
Definition: G4DNAMolecularStepByStepModel.cc:87
G4VUserChemistryList::RegisterTimeStepModel
void RegisterTimeStepModel(G4VITStepModel *timeStepModel, double startingTime=0)
Definition: G4VUserChemistryList.cc:56

References G4DNAMolecularReactionTable::PrintTable(), G4VUserChemistryList::RegisterTimeStepModel(), and G4DNAMolecularStepByStepModel::SetReactionModel().

◆ GetBuilders()

G4VPhysicsConstructor::PhysicsBuilder_V G4VPhysicsConstructor::GetBuilders ( ) const
protectedinherited

Definition at line 86 of file G4VPhysicsConstructor.cc.

87{
88 const auto& tls = *((subInstanceManager.offset[g4vpcInstanceID])._builders);
89 PhysicsBuilder_V copy(tls.size());
90 G4int i = 0;
91 for(const auto& el : tls)
92 {
93 copy[i++] = el;
94 }
95 return copy;
96}
G4int
int G4int
Definition: G4Types.hh:85
G4VPhysicsConstructor::PhysicsBuilder_V
G4VPCData::PhysicsBuilders_V PhysicsBuilder_V
Definition: G4VPhysicsConstructor.hh:149
field_utils::copy
void copy(G4double dst[], const G4double src[], size_t size=G4FieldTrack::ncompSVEC)
Definition: G4FieldUtils.cc:98

References field_utils::copy(), G4VPhysicsConstructor::g4vpcInstanceID, G4VUPLSplitter< T >::offset, and G4VPhysicsConstructor::subInstanceManager.

◆ GetInstanceID()

G4int G4VPhysicsConstructor::GetInstanceID ( ) const
inlineinherited

◆ GetParticleIterator()

G4ParticleTable::G4PTblDicIterator * G4VPhysicsConstructor::GetParticleIterator ( ) const
protectedinherited

Definition at line 79 of file G4VPhysicsConstructor.cc.

80{
81 return (subInstanceManager.offset[g4vpcInstanceID])._aParticleIterator;
82}

References G4VPhysicsConstructor::g4vpcInstanceID, G4VUPLSplitter< T >::offset, and G4VPhysicsConstructor::subInstanceManager.

Referenced by G4GenericBiasingPhysics::AssociateParallelGeometries(), G4EmDNAPhysics_option1::ConstructProcess(), G4EmDNAPhysics_option2::ConstructProcess(), G4EmDNAPhysics_option3::ConstructProcess(), G4EmDNAPhysics_option4::ConstructProcess(), G4EmDNAPhysics_option5::ConstructProcess(), G4EmDNAPhysics_option6::ConstructProcess(), G4EmDNAPhysics_option7::ConstructProcess(), G4EmDNAPhysics_option8::ConstructProcess(), G4EmDNAPhysics_stationary_option2::ConstructProcess(), G4EmDNAPhysics_stationary_option4::ConstructProcess(), G4EmDNAPhysics_stationary_option6::ConstructProcess(), G4FastSimulationPhysics::ConstructProcess(), G4GenericBiasingPhysics::ConstructProcess(), G4ParallelWorldPhysics::ConstructProcess(), G4StepLimiterPhysics::ConstructProcess(), G4DecayPhysics::ConstructProcess(), G4UnknownDecayPhysics::ConstructProcess(), G4OpticalPhysics::ConstructProcess(), G4ChargeExchangePhysics::ConstructProcess(), G4StoppingPhysics::ConstructProcess(), and G4StoppingPhysicsFritiofWithBinaryCascade::ConstructProcess().

◆ GetPhysicsName()

const G4String & G4VPhysicsConstructor::GetPhysicsName ( ) const
inlineinherited

Definition at line 191 of file G4VPhysicsConstructor.hh.

192{
193 return namePhysics;
194}

References G4VPhysicsConstructor::namePhysics.

Referenced by G4EmDNAPhysics_option1::ConstructProcess(), G4EmDNAPhysics_option2::ConstructProcess(), G4EmDNAPhysics_option3::ConstructProcess(), G4EmDNAPhysics_option4::ConstructProcess(), G4EmDNAPhysics_option5::ConstructProcess(), G4EmDNAPhysics_option6::ConstructProcess(), G4EmDNAPhysics_option7::ConstructProcess(), G4EmDNAPhysics_option8::ConstructProcess(), G4EmDNAPhysics_stationary_option2::ConstructProcess(), G4EmDNAPhysics_stationary_option4::ConstructProcess(), G4EmDNAPhysics_stationary_option6::ConstructProcess(), G4EmDNAPhysics::ConstructProcess(), G4EmDNAPhysics_stationary::ConstructProcess(), G4EmLivermorePhysics::ConstructProcess(), G4EmLowEPPhysics::ConstructProcess(), G4EmPenelopePhysics::ConstructProcess(), G4EmStandardPhysics::ConstructProcess(), G4EmStandardPhysics_option1::ConstructProcess(), G4EmStandardPhysics_option2::ConstructProcess(), G4EmStandardPhysics_option3::ConstructProcess(), G4EmStandardPhysics_option4::ConstructProcess(), G4EmStandardPhysicsGS::ConstructProcess(), G4EmStandardPhysicsSS::ConstructProcess(), G4EmStandardPhysicsWVI::ConstructProcess(), G4ThermalNeutrons::ConstructProcess(), G4HadronPhysicsFTFP_BERT::DumpBanner(), G4HadronPhysicsQGSP_BERT::DumpBanner(), export_G4VPhysicsConstructor(), G4HadronDElasticPhysics::G4HadronDElasticPhysics(), G4HadronElasticPhysics::G4HadronElasticPhysics(), G4HadronElasticPhysicsHP::G4HadronElasticPhysicsHP(), G4HadronElasticPhysicsLEND::G4HadronElasticPhysicsLEND(), G4HadronElasticPhysicsPHP::G4HadronElasticPhysicsPHP(), G4HadronElasticPhysicsXS::G4HadronElasticPhysicsXS(), G4HadronHElasticPhysics::G4HadronHElasticPhysics(), G4IonElasticPhysics::G4IonElasticPhysics(), G4VModularPhysicsList::RegisterPhysics(), and G4VModularPhysicsList::ReplacePhysics().

◆ GetPhysicsType()

G4int G4VPhysicsConstructor::GetPhysicsType ( ) const
inlineinherited

Definition at line 201 of file G4VPhysicsConstructor.hh.

202{
203 return typePhysics;
204}

References G4VPhysicsConstructor::typePhysics.

Referenced by G4VModularPhysicsList::RegisterPhysics(), and G4VModularPhysicsList::ReplacePhysics().

◆ GetSubInstanceManager()

const G4VPCManager & G4VPhysicsConstructor::GetSubInstanceManager ( )
inlinestaticinherited

Definition at line 213 of file G4VPhysicsConstructor.hh.

214{
215 return subInstanceManager;
216}

References G4VPhysicsConstructor::subInstanceManager.

Referenced by G4PhysicsListWorkspace::G4PhysicsListWorkspace().

◆ GetVerboseLevel()

G4int G4VPhysicsConstructor::GetVerboseLevel ( ) const
inlineinherited

Definition at line 181 of file G4VPhysicsConstructor.hh.

182{
183 return verboseLevel;
184}

References G4VPhysicsConstructor::verboseLevel.

Referenced by G4MuonicAtomDecayPhysics::ConstructParticle(), G4HadronElasticPhysicsHP::ConstructProcess(), G4HadronElasticPhysicsLEND::ConstructProcess(), G4HadronElasticPhysicsPHP::ConstructProcess(), G4MuonicAtomDecayPhysics::ConstructProcess(), G4ChargeExchangePhysics::ConstructProcess(), G4IonElasticPhysics::ConstructProcess(), G4ThermalNeutrons::ConstructProcess(), G4HadronPhysicsFTFP_BERT::ConstructProcess(), G4HadronPhysicsFTFP_BERT_ATL::ConstructProcess(), G4HadronPhysicsINCLXX::ConstructProcess(), G4HadronPhysicsNuBeam::ConstructProcess(), G4HadronPhysicsShielding::ConstructProcess(), export_G4VPhysicsConstructor(), and G4MuonicAtomDecayPhysics::G4MuonicAtomDecayPhysics().

◆ IsPhysicsConstructor()

bool G4VUserChemistryList::IsPhysicsConstructor ( )
inlineinherited

Definition at line 61 of file G4VUserChemistryList.hh.

62 {
63 return fIsPhysicsConstructor;
64 }

References G4VUserChemistryList::fIsPhysicsConstructor.

◆ RegisterProcess()

G4bool G4VPhysicsConstructor::RegisterProcess ( G4VProcess *  process,
G4ParticleDefinition *  particle 
)
inlineprotectedinherited

Definition at line 206 of file G4VPhysicsConstructor.hh.

208{
209 return G4PhysicsListHelper::GetPhysicsListHelper()
210 ->RegisterProcess(process, particle);
211}
G4PhysicsListHelper::RegisterProcess
G4bool RegisterProcess(G4VProcess *process, G4ParticleDefinition *particle)
Definition: G4PhysicsListHelper.cc:461

References G4PhysicsListHelper::GetPhysicsListHelper(), and G4PhysicsListHelper::RegisterProcess().

Referenced by G4MuonicAtomDecayPhysics::ConstructProcess(), G4RadioactiveDecayPhysics::ConstructProcess(), and ConstructProcess().

◆ RegisterTimeStepModel()

void G4VUserChemistryList::RegisterTimeStepModel ( G4VITStepModel *  timeStepModel,
double  startingTime = 0 
)
protectedinherited

Definition at line 56 of file G4VUserChemistryList.cc.

58{
59 G4VScheduler::Instance()->RegisterModel(timeStepModel, startingTime);
60}
G4VScheduler::Instance
static G4VScheduler * Instance()
Definition: G4VScheduler.cc:48
G4VScheduler::RegisterModel
virtual void RegisterModel(G4VITStepModel *, double)
Definition: G4VScheduler.hh:69

References G4VScheduler::Instance(), and G4VScheduler::RegisterModel().

Referenced by ConstructTimeStepModel(), G4EmDNAChemistry::ConstructTimeStepModel(), G4EmDNAChemistry_option1::ConstructTimeStepModel(), and G4EmDNAChemistry_option3::ConstructTimeStepModel().

◆ SetPhysicsName()

void G4VPhysicsConstructor::SetPhysicsName ( const G4String &  name = "")
inlineinherited

Definition at line 186 of file G4VPhysicsConstructor.hh.

187{
188 namePhysics = name;
189}
G4InuclParticleNames::name
const char * name(G4int ptype)
Definition: G4InuclParticleNames.hh:76

References G4InuclParticleNames::name(), and G4VPhysicsConstructor::namePhysics.

Referenced by export_G4VPhysicsConstructor().

◆ SetPhysicsType()

void G4VPhysicsConstructor::SetPhysicsType ( G4int  val)
inlineinherited

Definition at line 196 of file G4VPhysicsConstructor.hh.

197{
198 if(val > 0) { typePhysics = val; }
199}

References G4VPhysicsConstructor::typePhysics.

Referenced by G4DecayPhysics::G4DecayPhysics(), G4EmDNAPhysics::G4EmDNAPhysics(), G4EmDNAPhysics_option1::G4EmDNAPhysics_option1(), G4EmDNAPhysics_option2::G4EmDNAPhysics_option2(), G4EmDNAPhysics_option3::G4EmDNAPhysics_option3(), G4EmDNAPhysics_option4::G4EmDNAPhysics_option4(), G4EmDNAPhysics_option5::G4EmDNAPhysics_option5(), G4EmDNAPhysics_option6::G4EmDNAPhysics_option6(), G4EmDNAPhysics_option7::G4EmDNAPhysics_option7(), G4EmDNAPhysics_option8::G4EmDNAPhysics_option8(), G4EmDNAPhysics_stationary_option2::G4EmDNAPhysics_stationary_option2(), G4EmDNAPhysics_stationary_option4::G4EmDNAPhysics_stationary_option4(), G4EmDNAPhysics_stationary_option6::G4EmDNAPhysics_stationary_option6(), G4EmExtraPhysics::G4EmExtraPhysics(), G4EmLivermorePhysics::G4EmLivermorePhysics(), G4EmLowEPPhysics::G4EmLowEPPhysics(), G4EmPenelopePhysics::G4EmPenelopePhysics(), G4EmStandardPhysics::G4EmStandardPhysics(), G4EmStandardPhysics_option1::G4EmStandardPhysics_option1(), G4EmStandardPhysics_option2::G4EmStandardPhysics_option2(), G4EmStandardPhysics_option3::G4EmStandardPhysics_option3(), G4EmStandardPhysics_option4::G4EmStandardPhysics_option4(), G4EmStandardPhysicsGS::G4EmStandardPhysicsGS(), G4EmStandardPhysicsSS::G4EmStandardPhysicsSS(), G4EmStandardPhysicsWVI::G4EmStandardPhysicsWVI(), G4HadronElasticPhysics::G4HadronElasticPhysics(), G4HadronInelasticQBBC::G4HadronInelasticQBBC(), G4HadronPhysicsFTFP_BERT::G4HadronPhysicsFTFP_BERT(), G4HadronPhysicsQGSP_BERT::G4HadronPhysicsQGSP_BERT(), G4HadronPhysicsQGSP_BIC::G4HadronPhysicsQGSP_BIC(), G4IonINCLXXPhysics::G4IonINCLXXPhysics(), G4IonPhysics::G4IonPhysics(), G4IonPhysicsPHP::G4IonPhysicsPHP(), G4IonQMDPhysics::G4IonQMDPhysics(), G4NeutronTrackingCut::G4NeutronTrackingCut(), G4StepLimiterPhysics::G4StepLimiterPhysics(), G4StoppingPhysics::G4StoppingPhysics(), and G4StoppingPhysicsFritiofWithBinaryCascade::G4StoppingPhysicsFritiofWithBinaryCascade().

◆ SetVerboseLevel()

void G4VPhysicsConstructor::SetVerboseLevel ( G4int  value)
inlineinherited

Definition at line 176 of file G4VPhysicsConstructor.hh.

177{
178 verboseLevel = value;
179}

References G4VPhysicsConstructor::verboseLevel.

Referenced by export_G4VPhysicsConstructor(), G4EmDNAPhysics::G4EmDNAPhysics(), G4EmLivermorePhysics::G4EmLivermorePhysics(), G4EmLowEPPhysics::G4EmLowEPPhysics(), G4EmPenelopePhysics::G4EmPenelopePhysics(), G4EmStandardPhysics::G4EmStandardPhysics(), G4EmStandardPhysics_option1::G4EmStandardPhysics_option1(), G4EmStandardPhysics_option2::G4EmStandardPhysics_option2(), G4EmStandardPhysics_option3::G4EmStandardPhysics_option3(), G4EmStandardPhysics_option4::G4EmStandardPhysics_option4(), G4EmStandardPhysicsGS::G4EmStandardPhysicsGS(), G4EmStandardPhysicsSS::G4EmStandardPhysicsSS(), G4MuonicAtomDecayPhysics::G4MuonicAtomDecayPhysics(), G4VHadronPhysics::G4VHadronPhysics(), and PhysicsListEMstd::PhysicsListEMstd().

◆ TerminateWorker()

void G4VPhysicsConstructor::TerminateWorker ( )
virtualinherited

Definition at line 105 of file G4VPhysicsConstructor.cc.

106{
107 if(subInstanceManager.offset[g4vpcInstanceID]._builders != nullptr)
108 {
109 std::for_each(subInstanceManager.offset[g4vpcInstanceID]._builders->begin(),
110 subInstanceManager.offset[g4vpcInstanceID]._builders->end(),
111 [](PhysicsBuilder_V::value_type bld) { delete bld; });
112 subInstanceManager.offset[g4vpcInstanceID]._builders->clear();
113 }
114}

References G4VPhysicsConstructor::g4vpcInstanceID, G4VUPLSplitter< T >::offset, and G4VPhysicsConstructor::subInstanceManager.

Referenced by G4VPhysicsConstructor::~G4VPhysicsConstructor().

◆ ThisIsAPhysicsConstructor()

void G4VUserChemistryList::ThisIsAPhysicsConstructor ( bool  flag = true)
inlineinherited

Definition at line 66 of file G4VUserChemistryList.hh.

67 {
68 fIsPhysicsConstructor = flag;
69 }

References G4VUserChemistryList::fIsPhysicsConstructor.

Field Documentation

◆ fIsPhysicsConstructor

bool G4VUserChemistryList::fIsPhysicsConstructor
protectedinherited

Definition at line 100 of file G4VUserChemistryList.hh.

Referenced by G4VUserChemistryList::IsPhysicsConstructor(), and G4VUserChemistryList::ThisIsAPhysicsConstructor().

◆ g4vpcInstanceID

G4int G4VPhysicsConstructor::g4vpcInstanceID = 0
protectedinherited

Definition at line 170 of file G4VPhysicsConstructor.hh.

Referenced by G4VPhysicsConstructor::AddBuilder(), G4VPhysicsConstructor::G4VPhysicsConstructor(), G4VPhysicsConstructor::GetBuilders(), G4VPhysicsConstructor::GetParticleIterator(), and G4VPhysicsConstructor::TerminateWorker().

◆ namePhysics

G4String G4VPhysicsConstructor::namePhysics = ""
protectedinherited

Definition at line 166 of file G4VPhysicsConstructor.hh.

Referenced by G4ParallelWorldPhysics::ConstructProcess(), G4OpticalPhysics::ConstructProcess(), G4VPhysicsConstructor::GetPhysicsName(), and G4VPhysicsConstructor::SetPhysicsName().

◆ subInstanceManager

G4VPCManager G4VPhysicsConstructor::subInstanceManager
staticprotectedinherited

Definition at line 171 of file G4VPhysicsConstructor.hh.

Referenced by G4VPhysicsConstructor::AddBuilder(), G4VPhysicsConstructor::G4VPhysicsConstructor(), G4VPhysicsConstructor::GetBuilders(), G4VPhysicsConstructor::GetParticleIterator(), G4VPhysicsConstructor::GetSubInstanceManager(), and G4VPhysicsConstructor::TerminateWorker().

◆ theParticleTable

G4ParticleTable* G4VPhysicsConstructor::theParticleTable = nullptr
protectedinherited

Definition at line 169 of file G4VPhysicsConstructor.hh.

Referenced by PhysListEmStandard::ConstructProcess(), and G4VPhysicsConstructor::G4VPhysicsConstructor().

◆ typePhysics

G4int G4VPhysicsConstructor::typePhysics = 0
protectedinherited

Definition at line 167 of file G4VPhysicsConstructor.hh.

Referenced by G4VPhysicsConstructor::G4VPhysicsConstructor(), G4VPhysicsConstructor::GetPhysicsType(), and G4VPhysicsConstructor::SetPhysicsType().

◆ verboseLevel [1/2]

int G4VUserChemistryList::verboseLevel
protectedinherited

Definition at line 99 of file G4VUserChemistryList.hh.

Referenced by G4VUserChemistryList::BuildPhysicsTable(), and G4VUserChemistryList::G4VUserChemistryList().

◆ verboseLevel [2/2]

G4int G4VPhysicsConstructor::verboseLevel = 0
protectedinherited

Definition at line 165 of file G4VPhysicsConstructor.hh.

Referenced by G4VHadronPhysics::BuildModel(), G4EmDNAPhysics::ConstructProcess(), G4EmDNAPhysics_stationary::ConstructProcess(), G4EmLivermorePhysics::ConstructProcess(), G4EmLowEPPhysics::ConstructProcess(), G4EmPenelopePhysics::ConstructProcess(), G4EmStandardPhysics::ConstructProcess(), G4EmStandardPhysics_option1::ConstructProcess(), G4EmStandardPhysics_option2::ConstructProcess(), G4EmStandardPhysics_option3::ConstructProcess(), G4EmStandardPhysics_option4::ConstructProcess(), G4EmStandardPhysicsGS::ConstructProcess(), G4EmStandardPhysicsSS::ConstructProcess(), G4EmStandardPhysicsWVI::ConstructProcess(), G4OpticalPhysics::ConstructProcess(), G4MuonicAtomDecayPhysics::G4MuonicAtomDecayPhysics(), G4OpticalPhysics::G4OpticalPhysics(), G4VHadronPhysics::G4VHadronPhysics(), G4VPhysicsConstructor::GetVerboseLevel(), G4VHadronPhysics::NewModel(), and G4VPhysicsConstructor::SetVerboseLevel().

The documentation for this class was generated from the following files:
Generated by doxygen 1.9.3