G4DNAGillespieDirectMethod.hh

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#ifndef G4DNAGillespieDirectMethod_hh
#define G4DNAGillespieDirectMethod_hh 1
#include "globals.hh"
#include "G4DNAMesh.hh"
#include "G4Track.hh"
#include "G4Molecule.hh"
#include "G4MolecularConfiguration.hh"
#include "G4MoleculeTable.hh"
#include "G4ITTrackHolder.hh"
#include "G4DNAEventSet.hh"
 
class G4DNAMolecularReactionTable;
class G4DNAMolecularReactionData;
class G4DNAScavengerMaterial;
class G4DNAGillespieDirectMethod
{
 public:
  G4DNAGillespieDirectMethod();
  ~G4DNAGillespieDirectMethod();
  using MolType      = const G4MolecularConfiguration*;
  using Key          = unsigned int;
  using Index        = G4Voxel::Index;
  using JumpingData  = std::pair<MolType, Index>;
  using ReactionData = const G4DNAMolecularReactionData;
  using EventIt      = G4DNAEventSet::EventSet::iterator;
 
  G4double PropensityFunction(const Index& index, ReactionData* data);
  G4double PropensityFunction(const Index& index, MolType moleType);
  inline void SetVoxelMesh(G4DNAMesh& mesh) { fpMesh = &mesh; }
  void SetTimeStep(const G4double& stepTime);
  G4double Reaction(const Index& index);
  G4double DiffusiveJumping(const Index& index);
  G4double ComputeNumberInNode(const Index& index, MolType type);
  G4double VolumeOfNode(const Index& index);
  void Initialize();
  void CreateEvent(unsigned int key);
  void SetEventSet(G4DNAEventSet*);
 
 private:
  G4DNAMolecularReactionTable* fMolecularReactions;
  G4DNAMesh* fpMesh;
  G4double fTimeStep;
  G4DNAEventSet* fpEventSet;
  G4double fVerbose;
  std::map<G4double /*Propensity*/, ReactionData*> fReactionDataMap;
  std::map<G4double /*Propensity*/, JumpingData> fJumpingDataMap;
  G4bool FindScavenging(const Index& index, MolType, G4double&);
  G4DNAScavengerMaterial* fpScavengerMaterial;
};
#endif