chem3/src/TimeStepAction.cc

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0025 //
0026 /// \file TimeStepAction.cc
0027 /// \brief Implementation of the TimeStepAction class
0028
0029 // This example is provided by the Geant4-DNA collaboration
0030 // Any report or published results obtained using the Geant4-DNA software
0031 // shall cite the following Geant4-DNA collaboration publication:
0032 // Med. Phys. 37 (2010) 4692-4708
0033 // J. Comput. Phys. 274 (2014) 841-882
0034 // The Geant4-DNA web site is available at http://geant4-dna.org
0035 //
0036 //
0037
0038 #include "TimeStepAction.hh"
0039
0040 #include "G4MolecularConfiguration.hh"
0041 #include "G4Molecule.hh"
0042 #include "G4MoleculeTable.hh"
0043 #include "G4SystemOfUnits.hh"
0044 #include "G4UnitsTable.hh"
0045
0046 #include <G4Scheduler.hh>
0047
0048 TimeStepAction::TimeStepAction() : G4UserTimeStepAction()
0049 {
0050   /**
0051    * Give to G4ITTimeStepper the user defined time steps
0052    * eg : from 1 picosecond to 10 picosecond, the minimum time
0053    * step that the TimeStepper can returned is 0.1 picosecond.
0054    * Those time steps are used for the chemistry of G4DNA
0055    */
0056
0057   AddTimeStep(1 * picosecond, 0.1 * picosecond);
0058   AddTimeStep(10 * picosecond, 1 * picosecond);
0059   AddTimeStep(100 * picosecond, 3 * picosecond);
0060   AddTimeStep(1000 * picosecond, 10 * picosecond);
0061   AddTimeStep(10000 * picosecond, 100 * picosecond);
0062 }
0063
0064 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0065
0066 void TimeStepAction::UserPostTimeStepAction()
0067 {
0068   if (G4Scheduler::Instance()->GetGlobalTime() > 99 * ns) {
0069     G4cout << "_________________" << G4endl;
0070     G4cout << "At : " << G4BestUnit(G4Scheduler::Instance()->GetGlobalTime(), "Time") << G4endl;
0071
0072     auto species = G4MoleculeTable::Instance()->GetConfiguration("°OH");
0073     PrintSpecieInfo(species);
0074   }
0075 }
0076
0077 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0078
0079 void TimeStepAction::UserReactionAction(const G4Track& reactantA, const G4Track& reactantB,
0080                                         const std::vector<G4Track*>* products)
0081 {
0082   // this function shows how to get species ID, positions of reaction.
0083   G4cout << G4endl;
0084
0085   G4cout << "At : " << G4Scheduler::Instance()->GetGlobalTime() / ns
0086          << " (ns) reactantA = " << GetMolecule(reactantA)->GetName()
0087          << " (ID number = " << reactantA.GetTrackID() << ")"
0088          << " at position : " << reactantA.GetPosition() / nm
0089          << " reacts with reactantB = " << GetMolecule(&reactantB)->GetName()
0090          << " (ID number = " << reactantB.GetTrackID() << ")"
0091          << " at position : " << reactantA.GetPosition() / nm << G4endl;
0092
0093   if (products) {
0094     auto nbProducts = (G4int)products->size();
0095     for (G4int i = 0; i < nbProducts; i++) {
0096       G4cout << "      creating product " << i + 1 << " =" << GetMolecule((*products)[i])->GetName()
0097              << " position : " << (*products)[i]->GetPosition() << G4endl;
0098     }
0099   }
0100   G4cout << G4endl;
0101 }
0102
0103 void TimeStepAction::PrintSpecieInfo(G4MolecularConfiguration* molconf)
0104 {
0105   // this function shows how to get a specific species ID, positions at each time step.
0106   auto moleculeID = molconf->GetMoleculeID();
0107   const G4String& moleculeName = molconf->GetFormatedName();
0108   G4cout << "Get inf of : " << moleculeName << G4endl;
0109   auto trackList = G4ITTrackHolder::Instance()->GetMainList(moleculeID);
0110
0111   if (trackList == nullptr) {
0112     G4cout << "No species" << G4endl;
0113     return;
0114   }
0115   G4TrackList::iterator it = trackList->begin();
0116   G4TrackList::iterator end = trackList->end();
0117   for (; it != end; ++it) {
0118     auto track = *it;
0119     G4cout << "TrackID: " << track->GetTrackID() << "  position : " << track->GetPosition() / nm
0120            << G4endl;
0121   }
0122 }