Import Geant4 11.1.0.beta source tree
This commit is contained in:
Gabriele Cosmo
+361
-374
@@ -25,465 +25,452 @@
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// 20/2/2019
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// Author: HoangTRAN
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#include <memory>
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#include "G4DNAIndependentReactionTimeStepper.hh"
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#include "G4VDNAReactionModel.hh"
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#include "G4DNAMolecularReactionTable.hh"
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#include "G4memory.hh"
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#include "G4UnitsTable.hh"
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#include "G4Molecule.hh"
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#include "G4ChemicalMoleculeFinder.hh"
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#include "G4MolecularConfiguration.hh"
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#include "G4DNAChemistryManager.hh"
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#include "G4DNAReactionTypeManager.hh"
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#include "G4DNAMakeReaction.hh"
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#include "G4ITReaction.hh"
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#include "G4ITReactionChange.hh"
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#include "G4Scheduler.hh"
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#include "G4ITTrackHolder.hh"
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#include "G4IRTUtils.hh"
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#include "Randomize.hh"
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#include "G4DiffusionControlledReactionModel.hh"
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using namespace std;
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using namespace CLHEP;
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G4DNAIndependentReactionTimeStepper::Utils::Utils(const G4Track& trackA,
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const G4Track& trackB)
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: fTrackA(trackA)
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, fTrackB(trackB)
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: fTrackA(trackA)
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, fTrackB(trackB)
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{
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fpMoleculeA = GetMolecule(trackA);
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fpMoleculeB = GetMolecule(trackA);
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fpMoleculeA = GetMolecule(trackA);
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fpMoleculeB = GetMolecule(trackA);
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}
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G4DNAIndependentReactionTimeStepper::G4DNAIndependentReactionTimeStepper()
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: G4VITTimeStepComputer()
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, fHasAlreadyReachedNullTime(false)
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, fMolecularReactionTable(reference_cast<const G4DNAMolecularReactionTable*>(fpReactionTable))
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, fReactionModel(nullptr)
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, fpTrackContainer(G4ITTrackHolder::Instance())
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, fReactionSet(G4ITReactionSet::Instance())
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, fVerbose(0)
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, fRCutOff(G4IRTUtils::GetRCutOff())
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, fReactionTypeManager(nullptr)
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, fpReactionProcess(nullptr)
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: G4VITTimeStepComputer()
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{
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fReactionSet->SortByTime();
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fReactionSet->SortByTime();
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}
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void G4DNAIndependentReactionTimeStepper::Prepare()
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{
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G4VITTimeStepComputer::Prepare();
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fSampledPositions.clear();
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BuildChemicalMoleculeFinder()
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G4VITTimeStepComputer::Prepare();
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fSampledPositions.clear();
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BuildChemicalMoleculeFinder()
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}
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void G4DNAIndependentReactionTimeStepper::InitializeForNewTrack()
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{
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if (fReactants != nullptr)
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{
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fReactants.reset();
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}
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fSampledMinTimeStep = DBL_MAX;
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fHasAlreadyReachedNullTime = false;
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if(fReactants != nullptr)
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{
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fReactants.reset();
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}
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fSampledMinTimeStep = DBL_MAX;
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fHasAlreadyReachedNullTime = false;
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}
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template<typename T>
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inline G4bool IsInf(T value)
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G4double G4DNAIndependentReactionTimeStepper::CalculateStep(
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const G4Track& trackA, const G4double& userMinTimeStep)
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{
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return std::numeric_limits<T>::has_infinity
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&& value == std::numeric_limits<T>::infinity();
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}
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G4double
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G4DNAIndependentReactionTimeStepper::CalculateStep(const G4Track& trackA,
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const G4double& userMinTimeStep)
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{
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auto pMoleculeA = GetMolecule(trackA);
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InitializeForNewTrack();
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fUserMinTimeStep = userMinTimeStep;
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auto pMoleculeA = GetMolecule(trackA);
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InitializeForNewTrack();
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fUserMinTimeStep = userMinTimeStep;
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fCheckedTracks.insert(trackA.GetTrackID());
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#ifdef G4VERBOSE
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if (fVerbose)
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{
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G4cout
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<< "_______________________________________________________________________"
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<< G4endl;
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G4cout << "G4DNAIndependentReactionTimeStepper::CalculateStep" << G4endl;
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G4cout << "Check done for molecule : " << pMoleculeA->GetName()
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<< " (" << trackA.GetTrackID() << ") "
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<< G4endl;
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}
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if(fVerbose != 0)
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{
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G4cout << "________________________________________________________________"
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"_______"
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<< G4endl;
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G4cout << "G4DNAIndependentReactionTimeStepper::CalculateStep" << G4endl;
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G4cout << "Check done for molecule : " << pMoleculeA->GetName() << " ("
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<< trackA.GetTrackID() << ") " << G4endl;
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}
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#endif
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auto pMolConfA = pMoleculeA->GetMolecularConfiguration();
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auto pMolConfA = pMoleculeA->GetMolecularConfiguration();
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const auto pReactantList = fMolecularReactionTable->CanReactWith(pMolConfA);
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const auto pReactantList = fMolecularReactionTable->CanReactWith(pMolConfA);
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if (!pReactantList)
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{
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if(pReactantList == nullptr)
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{
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#ifdef G4VERBOSE
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if (fVerbose > 1)
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{
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G4cout << "!!!!!!!!!!!!!!!!!!!!" << G4endl;
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G4cout << "!!! WARNING" << G4endl;
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G4cout << "G4DNAIndependentReactionTimeStepper::CalculateStep will return infinity "
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if(fVerbose > 1)
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{
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G4cout << "!!!!!!!!!!!!!!!!!!!!" << G4endl;
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G4cout << "!!! WARNING" << G4endl;
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G4cout << "G4DNAIndependentReactionTimeStepper::CalculateStep will "
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"return infinity "
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"for the reaction because the molecule "
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<< pMoleculeA->GetName()
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<< " does not have any reactants given in the reaction table."
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<< G4endl;
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G4cout << "!!!!!!!!!!!!!!!!!!!!" << G4endl;
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}
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#endif
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return DBL_MAX;
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<< pMoleculeA->GetName()
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<< " does not have any reactants given in the reaction table."
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<< G4endl;
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G4cout << "!!!!!!!!!!!!!!!!!!!!" << G4endl;
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}
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#endif
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return DBL_MAX;
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}
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G4int nbReactives = pReactantList->size();
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G4int nbReactives = pReactantList->size();
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if (nbReactives == 0)
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{
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if(nbReactives == 0)
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{
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#ifdef G4VERBOSE
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// DEBUG
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if (fVerbose)
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{
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G4cout << "!!!!!!!!!!!!!!!!!!!!" << G4endl;
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G4cout << "!!! WARNING" << G4endl;
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G4cout << "G4DNAIndependentReactionTimeStepper::CalculateStep will return infinity "
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// DEBUG
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if(fVerbose != 0)
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{
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G4cout << "!!!!!!!!!!!!!!!!!!!!" << G4endl;
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G4cout << "!!! WARNING" << G4endl;
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G4cout << "G4DNAIndependentReactionTimeStepper::CalculateStep will "
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"return infinity "
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"for the reaction because the molecule "
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<< pMoleculeA->GetName()
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<< " does not have any reactants given in the reaction table."
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<< "This message can also result from a wrong implementation of the reaction table."
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<< G4endl;
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G4cout << "!!!!!!!!!!!!!!!!!!!!" << G4endl;
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}
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<< pMoleculeA->GetName()
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<< " does not have any reactants given in the reaction table."
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<< "This message can also result from a wrong implementation of "
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"the reaction table."
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<< G4endl;
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G4cout << "!!!!!!!!!!!!!!!!!!!!" << G4endl;
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}
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#endif
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return DBL_MAX;
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}
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fReactants.reset(new vector<G4Track*>());
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fReactionModel->Initialise(pMolConfA, trackA);
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for (G4int i = 0; i < nbReactives; i++)
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return DBL_MAX;
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}
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fReactants = std::make_shared<vector<G4Track*>>();
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fReactionModel->Initialise(pMolConfA, trackA);
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for(G4int i = 0; i < nbReactives; i++)
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{
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auto pMoleculeB = (*pReactantList)[i];
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G4int key = pMoleculeB->GetMoleculeID();
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// fRCutOff = G4IRTUtils::GetRCutOff(1 * ps);
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fRCutOff = G4IRTUtils::GetRCutOff();
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//______________________________________________________________
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// Retrieve reaction range
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const G4double Reff = fReactionModel->GetReactionRadius(i);
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std::vector<std::pair<G4TrackList::iterator, G4double>> resultIndices;
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resultIndices.clear();
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G4ChemicalMoleculeFinder::Instance()->FindNearestInRange(
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trackA, key, fRCutOff, resultIndices);
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if(resultIndices.empty())
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{
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auto pMoleculeB = (*pReactantList)[i];
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G4int key = pMoleculeB->GetMoleculeID();
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//fRCutOff = G4IRTUtils::GetRCutOff(1 * ps);
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fRCutOff = G4IRTUtils::GetRCutOff();
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//______________________________________________________________
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// Retrieve reaction range
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const G4double Reff = fReactionModel->GetReactionRadius(i);
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std::vector<std::pair<G4TrackList::iterator,G4double>> resultIndices;
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resultIndices.clear();
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G4ChemicalMoleculeFinder::Instance()->
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FindNearestInRange(trackA,
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key,
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fRCutOff,
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resultIndices);
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if(resultIndices.empty())
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{
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continue;
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}
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for(auto& it : resultIndices)
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{
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G4Track* pTrackB = *(std::get<0>(it));
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if(pTrackB == &trackA)
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{
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continue;
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}
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if(pTrackB == nullptr)
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{
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G4ExceptionDescription exceptionDescription;
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exceptionDescription << "No trackB no valid";
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G4Exception("G4DNAIndependentReactionTimeModel"
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"::BuildReactionMap()", "NO_TRACK02",
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FatalException, exceptionDescription);
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}
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Utils utils(trackA, *pTrackB);
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auto pMolB = GetMolecule(pTrackB);
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auto pMolConfB = pMolB->GetMolecularConfiguration();
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G4double distance = (trackA.GetPosition() - pTrackB->GetPosition()).mag();
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if(distance * distance < Reff * Reff)
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{
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auto processTable = *(fReactionTypeManager->GetReactionTypeTable());
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auto typeOfReaction = (G4int)GetReactionType(trackA, *pTrackB);
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if(processTable[typeOfReaction]->
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GeminateRecombinationProbability(pMolConfA, pMolConfB))
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{
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if (!fHasAlreadyReachedNullTime)
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{
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fReactants->clear();
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fHasAlreadyReachedNullTime = true;
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}
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fSampledMinTimeStep = 0.;
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CheckAndRecordResults(utils);
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}
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}
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else
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{
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G4double tempMinET = GetTimeToEncounter(trackA, *pTrackB);
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if(tempMinET < 0 ||
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tempMinET > G4Scheduler::Instance()->GetEndTime())
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{
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continue;
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}
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if (tempMinET >= fSampledMinTimeStep)
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{
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continue;
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}
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fSampledMinTimeStep = tempMinET;
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fReactants->clear();
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CheckAndRecordResults(utils);
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}
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}
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continue;
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}
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for(auto& it : resultIndices)
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{
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G4Track* pTrackB = *(std::get<0>(it));
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if(pTrackB == &trackA)
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{
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continue;
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}
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if(pTrackB == nullptr)
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{
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G4ExceptionDescription exceptionDescription;
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exceptionDescription << "No trackB no valid";
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G4Exception("G4DNAIndependentReactionTimeStepper"
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"::CalculateStep()",
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"G4DNAIndependentReactionTimeStepper007", FatalException,
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exceptionDescription);
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}
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if(fCheckedTracks.find(pTrackB->GetTrackID()) != fCheckedTracks.end())
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{
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continue;
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}
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Utils utils(trackA, *pTrackB);
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auto pMolB = GetMolecule(pTrackB);
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auto pMolConfB = pMolB->GetMolecularConfiguration();
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G4double distance = (trackA.GetPosition() - pTrackB->GetPosition()).mag();
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if(distance * distance < Reff * Reff)
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{
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auto reactionData =
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fMolecularReactionTable->GetReactionData(pMolConfA, pMolConfB);
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if(reactionData->GetProbability() > G4UniformRand())
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{
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if(!fHasAlreadyReachedNullTime)
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{
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fReactants->clear();
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fHasAlreadyReachedNullTime = true;
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}
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fSampledMinTimeStep = 0.;
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CheckAndRecordResults(utils);
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}
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}
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else
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{
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G4double tempMinET = GetTimeToEncounter(trackA, *pTrackB);
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if(tempMinET < 0 || tempMinET > G4Scheduler::Instance()->GetEndTime())
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{
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continue;
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}
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if(tempMinET >= fSampledMinTimeStep)
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{
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continue;
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}
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fSampledMinTimeStep = tempMinET;
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fReactants->clear();
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CheckAndRecordResults(utils);
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}
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}
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}
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#ifdef G4VERBOSE
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if (fVerbose)
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if(fVerbose != 0)
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{
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G4cout << "G4DNAIndependentReactionTimeStepper::CalculateStep will finally "
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"return :"
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<< G4BestUnit(fSampledMinTimeStep, "Time") << G4endl;
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if(fVerbose > 1)
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{
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G4cout << "G4DNAIndependentReactionTimeStepper::CalculateStep will finally return :"
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<< G4BestUnit(fSampledMinTimeStep, "Time") << G4endl;
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G4cout << "Selected reactants for trackA: " << pMoleculeA->GetName()
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<< " (" << trackA.GetTrackID() << ") are: ";
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if (fVerbose > 1)
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{
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G4cout << "Selected reactants for trackA: " << pMoleculeA->GetName()
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<< " (" << trackA.GetTrackID() << ") are: ";
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vector<G4Track*>::iterator it;
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for (it = fReactants->begin(); it != fReactants->end(); it++)
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{
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G4Track* trackB = *it;
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G4cout << GetMolecule(trackB)->GetName() << " ("
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<< trackB->GetTrackID() << ") \t ";
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}
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G4cout << G4endl;
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}
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vector<G4Track*>::iterator it;
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for(it = fReactants->begin(); it != fReactants->end(); it++)
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{
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G4Track* trackB = *it;
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G4cout << GetMolecule(trackB)->GetName() << " (" << trackB->GetTrackID()
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<< ") \t ";
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}
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G4cout << G4endl;
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}
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}
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#endif
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for (const auto& it : *fReactants)
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{
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auto pTrackB = it;
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fSampledPositions[pTrackB->GetTrackID()] = pTrackB->GetPosition();
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}
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return fSampledMinTimeStep;
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return fSampledMinTimeStep;
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}
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void G4DNAIndependentReactionTimeStepper::CheckAndRecordResults(const Utils& utils)
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void G4DNAIndependentReactionTimeStepper::CheckAndRecordResults(
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const Utils& utils)
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{
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if (utils.fTrackB.GetTrackStatus() != fAlive)
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{
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return;
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}
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if(utils.fTrackB.GetTrackStatus() != fAlive)
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{
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return;
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}
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if (&utils.fTrackB == &utils.fTrackA)
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{
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G4ExceptionDescription exceptionDescription;
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exceptionDescription<< "A track is reacting with itself"
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" (which is impossible) ie fpTrackA == trackB"<< G4endl;
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exceptionDescription << "Molecule A is of type : "
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<< utils.fpMoleculeA->GetName() << " with trackID : "
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<< utils.fTrackA.GetTrackID()<<" and B : "
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<< utils.fpMoleculeB->GetName() << " with trackID : "
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<< utils.fTrackB.GetTrackID() << G4endl;
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G4Exception("G4DNAIndependentReactionTimeStepper::RetrieveResults",
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"G4DNAIndependentReactionTimeStepper003", FatalErrorInArgument,
|
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exceptionDescription);
|
||||
}
|
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if(&utils.fTrackB == &utils.fTrackA)
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||||
{
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G4ExceptionDescription exceptionDescription;
|
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exceptionDescription << "A track is reacting with itself"
|
||||
" (which is impossible) ie fpTrackA == trackB"
|
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<< G4endl;
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exceptionDescription << "Molecule A is of type : "
|
||||
<< utils.fpMoleculeA->GetName()
|
||||
<< " with trackID : " << utils.fTrackA.GetTrackID()
|
||||
<< " and B : " << utils.fpMoleculeB->GetName()
|
||||
<< " with trackID : " << utils.fTrackB.GetTrackID()
|
||||
<< G4endl;
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||||
G4Exception("G4DNAIndependentReactionTimeStepper::RetrieveResults",
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||||
"G4DNAIndependentReactionTimeStepper003", FatalErrorInArgument,
|
||||
exceptionDescription);
|
||||
}
|
||||
|
||||
if (fabs(utils.fTrackB.GetGlobalTime() - utils.fTrackA.GetGlobalTime())
|
||||
> utils.fTrackA.GetGlobalTime() * (1. - 1. / 100))
|
||||
{
|
||||
// DEBUG
|
||||
G4ExceptionDescription exceptionDescription;
|
||||
exceptionDescription
|
||||
<< "The interacting tracks are not synchronized in time" << G4endl;
|
||||
exceptionDescription
|
||||
<< "trackB->GetGlobalTime() != fpTrackA.GetGlobalTime()" << G4endl;
|
||||
if(fabs(utils.fTrackB.GetGlobalTime() - utils.fTrackA.GetGlobalTime()) >
|
||||
utils.fTrackA.GetGlobalTime() * (1. - 1. / 100))
|
||||
{
|
||||
// DEBUG
|
||||
G4ExceptionDescription exceptionDescription;
|
||||
exceptionDescription
|
||||
<< "The interacting tracks are not synchronized in time" << G4endl;
|
||||
exceptionDescription
|
||||
<< "trackB->GetGlobalTime() != fpTrackA.GetGlobalTime()" << G4endl;
|
||||
|
||||
exceptionDescription << "fpTrackA : trackID : " << utils.fTrackA.GetTrackID()
|
||||
<< "\t Name :" << utils.fpMoleculeA->GetName()
|
||||
<< "\t fpTrackA->GetGlobalTime() = "
|
||||
<< G4BestUnit(utils.fTrackA.GetGlobalTime(), "Time") << G4endl;
|
||||
exceptionDescription << "fpTrackA : trackID : "
|
||||
<< utils.fTrackA.GetTrackID()
|
||||
<< "\t Name :" << utils.fpMoleculeA->GetName()
|
||||
<< "\t fpTrackA->GetGlobalTime() = "
|
||||
<< G4BestUnit(utils.fTrackA.GetGlobalTime(), "Time")
|
||||
<< G4endl;
|
||||
|
||||
exceptionDescription << "trackB : trackID : " << utils.fTrackB.GetTrackID()
|
||||
<< "\t Name :" << utils.fpMoleculeB->GetName()
|
||||
<< "\t trackB->GetGlobalTime() = "
|
||||
<< G4BestUnit(utils.fTrackB.GetGlobalTime(), "Time") << G4endl;
|
||||
exceptionDescription << "trackB : trackID : " << utils.fTrackB.GetTrackID()
|
||||
<< "\t Name :" << utils.fpMoleculeB->GetName()
|
||||
<< "\t trackB->GetGlobalTime() = "
|
||||
<< G4BestUnit(utils.fTrackB.GetGlobalTime(), "Time")
|
||||
<< G4endl;
|
||||
|
||||
G4Exception("G4DNAIndependentReactionTimeStepper::RetrieveResults",
|
||||
"G4DNAIndependentReactionTimeStepper004", FatalErrorInArgument,
|
||||
exceptionDescription);
|
||||
}
|
||||
fReactants->push_back(const_cast<G4Track*>(&utils.fTrackB));
|
||||
G4Exception("G4DNAIndependentReactionTimeStepper::RetrieveResults",
|
||||
"G4DNAIndependentReactionTimeStepper004", FatalErrorInArgument,
|
||||
exceptionDescription);
|
||||
}
|
||||
fReactants->push_back(const_cast<G4Track*>(&utils.fTrackB));
|
||||
}
|
||||
|
||||
std::unique_ptr<G4ITReactionChange>
|
||||
G4DNAIndependentReactionTimeStepper::FindReaction(G4ITReactionSet* pReactionSet,
|
||||
const G4double& currentStepTime,
|
||||
const G4double& /*previousStepTime*/,
|
||||
const G4bool& /*reachedUserStepTimeLimit*/)
|
||||
G4DNAIndependentReactionTimeStepper::FindReaction(
|
||||
G4ITReactionSet* pReactionSet, const G4double& currentStepTime,
|
||||
const G4double& /*previousStepTime*/,
|
||||
const G4bool& /*reachedUserStepTimeLimit*/)
|
||||
{
|
||||
if (pReactionSet == nullptr)
|
||||
{
|
||||
return nullptr;
|
||||
}
|
||||
|
||||
G4ITReactionPerTime& reactionPerTime = pReactionSet->GetReactionsPerTime();
|
||||
if(reactionPerTime.empty())
|
||||
{
|
||||
return nullptr;
|
||||
}
|
||||
|
||||
for (auto reaction_i = reactionPerTime.begin();
|
||||
reaction_i != reactionPerTime.end();
|
||||
reaction_i = reactionPerTime.begin())
|
||||
{
|
||||
G4Track* pTrackA = (*reaction_i)->GetReactants().first;
|
||||
if (pTrackA->GetTrackStatus() == fStopAndKill)
|
||||
{
|
||||
continue;
|
||||
}
|
||||
G4Track* pTrackB = (*reaction_i)->GetReactant(pTrackA);
|
||||
if (pTrackB->GetTrackStatus() == fStopAndKill)
|
||||
{
|
||||
continue;
|
||||
}
|
||||
|
||||
if (pTrackB == pTrackA)
|
||||
{
|
||||
G4ExceptionDescription exceptionDescription;
|
||||
exceptionDescription
|
||||
<< "The IT reaction process sent back a reaction between trackA and trackB. ";
|
||||
exceptionDescription << "The problem is trackA == trackB";
|
||||
G4Exception("G4ITModelProcessor::FindReaction",
|
||||
"ITModelProcessor005",
|
||||
FatalErrorInArgument,
|
||||
exceptionDescription);
|
||||
}
|
||||
pReactionSet->SelectThisReaction(*reaction_i);
|
||||
if(fpReactionProcess != nullptr && fpReactionProcess->TestReactibility(*pTrackA,
|
||||
*pTrackB,
|
||||
currentStepTime,
|
||||
false))
|
||||
{
|
||||
pTrackA->SetPosition(fSampledPositions[pTrackA->GetTrackID()]);
|
||||
pTrackB->SetPosition(fSampledPositions[pTrackB->GetTrackID()]);
|
||||
auto pReactionChange = fpReactionProcess->MakeReaction(*pTrackA, *pTrackB);
|
||||
if (pReactionChange == nullptr)
|
||||
{
|
||||
return nullptr;
|
||||
}
|
||||
return pReactionChange;
|
||||
}
|
||||
}
|
||||
if(pReactionSet == nullptr)
|
||||
{
|
||||
return nullptr;
|
||||
}
|
||||
|
||||
G4ITReactionPerTime& reactionPerTime = pReactionSet->GetReactionsPerTime();
|
||||
if(reactionPerTime.empty())
|
||||
{
|
||||
return nullptr;
|
||||
}
|
||||
|
||||
for(auto reaction_i = reactionPerTime.begin();
|
||||
reaction_i != reactionPerTime.end(); reaction_i = reactionPerTime.begin())
|
||||
{
|
||||
G4Track* pTrackA = (*reaction_i)->GetReactants().first;
|
||||
if(pTrackA->GetTrackStatus() == fStopAndKill)
|
||||
{
|
||||
continue;
|
||||
}
|
||||
G4Track* pTrackB = (*reaction_i)->GetReactant(pTrackA);
|
||||
if(pTrackB->GetTrackStatus() == fStopAndKill)
|
||||
{
|
||||
continue;
|
||||
}
|
||||
|
||||
if(pTrackB == pTrackA)
|
||||
{
|
||||
G4ExceptionDescription exceptionDescription;
|
||||
exceptionDescription << "The IT reaction process sent back a reaction "
|
||||
"between trackA and trackB. ";
|
||||
exceptionDescription << "The problem is trackA == trackB";
|
||||
G4Exception("G4DNAIndependentReactionTimeStepper::FindReaction",
|
||||
"G4DNAIndependentReactionTimeStepper02", FatalErrorInArgument,
|
||||
exceptionDescription);
|
||||
}
|
||||
pReactionSet->SelectThisReaction(*reaction_i);
|
||||
if(fpReactionProcess != nullptr &&
|
||||
fpReactionProcess->TestReactibility(*pTrackA, *pTrackB, currentStepTime,
|
||||
false))
|
||||
{
|
||||
if((fSampledPositions.find(pTrackA->GetTrackID()) ==
|
||||
fSampledPositions.end() &&
|
||||
(fSampledPositions.find(pTrackB->GetTrackID()) ==
|
||||
fSampledPositions.end())))
|
||||
{
|
||||
G4ExceptionDescription exceptionDescription;
|
||||
exceptionDescription
|
||||
<< "The positions of trackA and trackB have no counted ";
|
||||
G4Exception("G4DNAIndependentReactionTimeStepper::FindReaction",
|
||||
"G4DNAIndependentReactionTimeStepper0001",
|
||||
FatalErrorInArgument, exceptionDescription);
|
||||
}
|
||||
|
||||
pTrackA->SetPosition(fSampledPositions[pTrackA->GetTrackID()]);
|
||||
pTrackB->SetPosition(fSampledPositions[pTrackB->GetTrackID()]);
|
||||
auto pReactionChange =
|
||||
fpReactionProcess->MakeReaction(*pTrackA, *pTrackB);
|
||||
if(pReactionChange == nullptr)
|
||||
{
|
||||
return nullptr;
|
||||
}
|
||||
return pReactionChange;
|
||||
}
|
||||
}
|
||||
return nullptr;
|
||||
}
|
||||
|
||||
void G4DNAIndependentReactionTimeStepper::SetReactionModel(G4VDNAReactionModel* pReactionModel)
|
||||
void G4DNAIndependentReactionTimeStepper::SetReactionModel(
|
||||
G4VDNAReactionModel* pReactionModel)
|
||||
{
|
||||
fReactionModel = pReactionModel;
|
||||
fReactionModel = pReactionModel;
|
||||
}
|
||||
|
||||
G4VDNAReactionModel* G4DNAIndependentReactionTimeStepper::GetReactionModel()
|
||||
{
|
||||
return fReactionModel;
|
||||
return fReactionModel;
|
||||
}
|
||||
|
||||
void G4DNAIndependentReactionTimeStepper::SetVerbose(G4int flag)
|
||||
{
|
||||
fVerbose = flag;
|
||||
fVerbose = flag;
|
||||
}
|
||||
|
||||
ReactionType G4DNAIndependentReactionTimeStepper::GetReactionType(const G4Track& trackA,
|
||||
const G4Track& trackB)
|
||||
G4double G4DNAIndependentReactionTimeStepper::GetTimeToEncounter(
|
||||
const G4Track& trackA, const G4Track& trackB)
|
||||
{
|
||||
auto pMoleculeA = GetMolecule(trackA)->GetMolecularConfiguration();
|
||||
auto pMoleculeB = GetMolecule(trackB)->GetMolecularConfiguration();
|
||||
auto pData = fMolecularReactionTable->GetReactionData(pMoleculeA,pMoleculeB);
|
||||
G4int reactionID = pData->GetReactionID();
|
||||
return fReactionTypeManager->GetReactionTypeByID(reactionID);
|
||||
G4double timeToReaction =
|
||||
dynamic_cast<G4DiffusionControlledReactionModel*>(fReactionModel)
|
||||
->GetTimeToEncounter(trackA, trackB);
|
||||
return timeToReaction;
|
||||
}
|
||||
|
||||
G4double G4DNAIndependentReactionTimeStepper::GetTimeToEncounter(const G4Track& trackA,
|
||||
const G4Track& trackB)
|
||||
void G4DNAIndependentReactionTimeStepper::SetReactionProcess(
|
||||
G4VITReactionProcess* pReactionProcess)
|
||||
{
|
||||
if(fReactionTypeManager == nullptr)
|
||||
fpReactionProcess = pReactionProcess;
|
||||
}
|
||||
G4double G4DNAIndependentReactionTimeStepper::CalculateMinTimeStep(
|
||||
G4double /*currentGlobalTime*/, G4double definedMinTimeStep)
|
||||
{
|
||||
G4double fTSTimeStep = DBL_MAX;
|
||||
fCheckedTracks.clear();
|
||||
|
||||
for(auto pTrack : *fpTrackContainer->GetMainList())
|
||||
{
|
||||
if(pTrack == nullptr)
|
||||
{
|
||||
G4ExceptionDescription exceptionDescription;
|
||||
exceptionDescription << "fpProManager is not "
|
||||
"initialized ";
|
||||
G4Exception("G4DNAIndependentReactionTimeModel::"
|
||||
"GetIndependentReactionTime()",
|
||||
"G4DNAIndependentReactionTimeModel002",
|
||||
FatalErrorInArgument,exceptionDescription);
|
||||
}
|
||||
auto processTable = *(fReactionTypeManager->GetReactionTypeTable());
|
||||
ReactionType reactionType = GetReactionType(trackA,trackB);
|
||||
|
||||
#ifdef DEBUG
|
||||
G4cout<<"A: "<<GetMolecule(trackA)->GetName()<<"("<<trackA.GetTrackID()<<")"<<" + B : "
|
||||
<<GetMolecule(trackB)->GetName()<<"("<<trackB.GetTrackID()<<")"<<G4endl;
|
||||
#endif
|
||||
|
||||
return processTable[(G4int)reactionType]->GetTimeToEncounter(trackA,trackB);
|
||||
}
|
||||
|
||||
void G4DNAIndependentReactionTimeStepper::SetReactionTypeManager(G4VReactionTypeManager* typeManager)
|
||||
{
|
||||
fReactionTypeManager = ((G4DNAReactionTypeManager*)typeManager);
|
||||
}
|
||||
|
||||
void G4DNAIndependentReactionTimeStepper::SetReactionProcess(G4VITReactionProcess* pReactionProcess)
|
||||
{
|
||||
fpReactionProcess = pReactionProcess;
|
||||
}
|
||||
G4double G4DNAIndependentReactionTimeStepper::CalculateMinTimeStep(G4double /*currentGlobalTime*/, G4double definedMinTimeStep)
|
||||
{
|
||||
G4double fTSTimeStep = DBL_MAX;
|
||||
|
||||
for (auto pTrack : *fpTrackContainer->GetMainList())
|
||||
{
|
||||
if (pTrack == nullptr)
|
||||
{
|
||||
G4ExceptionDescription exceptionDescription;
|
||||
exceptionDescription << "No track found.";
|
||||
G4Exception("G4Scheduler::CalculateMinStep", "ITScheduler006",
|
||||
FatalErrorInArgument, exceptionDescription);
|
||||
continue;
|
||||
}
|
||||
|
||||
G4TrackStatus trackStatus = pTrack->GetTrackStatus();
|
||||
if (trackStatus == fStopAndKill || trackStatus == fStopButAlive)
|
||||
{
|
||||
continue;
|
||||
}
|
||||
|
||||
G4double sampledMinTimeStep = CalculateStep(*pTrack, definedMinTimeStep);
|
||||
G4TrackVectorHandle reactants = GetReactants();
|
||||
|
||||
if (sampledMinTimeStep < fTSTimeStep)
|
||||
{
|
||||
fTSTimeStep = sampledMinTimeStep;
|
||||
fReactionSet->CleanAllReaction();
|
||||
if (reactants)
|
||||
{
|
||||
fReactionSet->AddReactions(fTSTimeStep,
|
||||
const_cast<G4Track*>(pTrack),
|
||||
reactants);
|
||||
ResetReactants();
|
||||
}
|
||||
}
|
||||
else if (fTSTimeStep == sampledMinTimeStep && G4bool(reactants))
|
||||
{
|
||||
fReactionSet->AddReactions(fTSTimeStep,
|
||||
const_cast<G4Track*>(pTrack),
|
||||
reactants);
|
||||
ResetReactants();
|
||||
}
|
||||
else if (reactants)
|
||||
{
|
||||
ResetReactants();
|
||||
}
|
||||
G4ExceptionDescription exceptionDescription;
|
||||
exceptionDescription << "No track found.";
|
||||
G4Exception("G4DNAIndependentReactionTimeStepper::CalculateMinTimeStep",
|
||||
"G4DNAIndependentReactionTimeStepper006",
|
||||
FatalErrorInArgument, exceptionDescription);
|
||||
continue;
|
||||
}
|
||||
|
||||
return fTSTimeStep;
|
||||
G4TrackStatus trackStatus = pTrack->GetTrackStatus();
|
||||
if(trackStatus == fStopAndKill || trackStatus == fStopButAlive)
|
||||
{
|
||||
continue;
|
||||
}
|
||||
|
||||
G4double sampledMinTimeStep = CalculateStep(*pTrack, definedMinTimeStep);
|
||||
G4TrackVectorHandle reactants = GetReactants();
|
||||
|
||||
if(sampledMinTimeStep < fTSTimeStep)
|
||||
{
|
||||
fTSTimeStep = sampledMinTimeStep;
|
||||
fReactionSet->CleanAllReaction();
|
||||
if(reactants)
|
||||
{
|
||||
fReactionSet->AddReactions(fTSTimeStep, const_cast<G4Track*>(pTrack),
|
||||
reactants);
|
||||
|
||||
fSampledPositions[pTrack->GetTrackID()] = pTrack->GetPosition();
|
||||
for(const auto& it : *fReactants)
|
||||
{
|
||||
auto pTrackB = it;
|
||||
// G4cout<<"position : "<<pTrackB->GetTrackID()<<G4endl;
|
||||
fSampledPositions[pTrackB->GetTrackID()] = pTrackB->GetPosition();
|
||||
}
|
||||
ResetReactants();
|
||||
}
|
||||
}
|
||||
else if(fTSTimeStep == sampledMinTimeStep && G4bool(reactants))
|
||||
{
|
||||
fReactionSet->AddReactions(fTSTimeStep, const_cast<G4Track*>(pTrack),
|
||||
reactants);
|
||||
|
||||
fSampledPositions[pTrack->GetTrackID()] = pTrack->GetPosition();
|
||||
for(const auto& it : *fReactants)
|
||||
{
|
||||
auto pTrackB = it;
|
||||
// G4cout<<"position : "<<pTrackB->GetTrackID()<<G4endl;
|
||||
fSampledPositions[pTrackB->GetTrackID()] = pTrackB->GetPosition();
|
||||
}
|
||||
ResetReactants();
|
||||
}
|
||||
else if(reactants)
|
||||
{
|
||||
ResetReactants();
|
||||
}
|
||||
}
|
||||
|
||||
return fTSTimeStep;
|
||||
}
|
||||
|
||||
Reference in New Issue
Block a user