G4MoleculeCounterManager.hh

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// Author: Christian Velten (2025)
 
#ifndef G4MOLECULECOUNTERMANAGER_HH
#define G4MOLECULECOUNTERMANAGER_HH 1
 
#include "G4Exception.hh"
#include "G4Threading.hh"
#include "G4Types.hh"
#include "G4VMoleculeCounter.hh"
#include "G4VMoleculeReactionCounter.hh"
#include "G4ios.hh"
 
#include <functional>
#include <map>
#include <vector>
 
class G4Event;
class G4Run;
class G4Step;
class G4StepPoint;
class G4Track;
class G4MoleculeCounterManagerMessenger;
 
class G4MoleculeCounterManager final
{
  private:
    struct Private
    {
        explicit Private() = default;
    };
 
  public:
    G4MoleculeCounterManager(Private);
    ~G4MoleculeCounterManager();
 
  private:
    G4bool fInstancesRegistered{false};
    void RegisterInstance();
 
  public:
    static G4MoleculeCounterManager* Instance();
    static G4MoleculeCounterManager* GetInstanceIfExists();
    static void DeleteInstance();
 
    void Initialize();
 
    //
    // Management
 
    G4int RegisterCounter(std::unique_ptr<G4VMoleculeCounter>);
    G4int RegisterCounter(std::unique_ptr<G4VMoleculeReactionCounter>);
    void DeregisterAllCounters();
 
  private:
    template<typename T>
    G4int RegisterCounter(std::map<G4int, T*>&, std::unique_ptr<T>, std::function<G4int()>);
    void InitializeMaster();
    void InitializeWorker();
 
  public:
    // methods to receive forwarding from G4DNAChemistryManager
    void BeginOfEventAction(const G4Event*);
    void BeginOfRunAction(const G4Run*);
    void EndOfEventAction(const G4Event*);
    void EndOfRunAction(const G4Run*);
    // Dumping counters
    void DumpMasterCounters() const;
    void DumpWorkerCounters() const;
    // Accumulation of counters into master
    void AbsorbWorkerManagerCounters(const G4MoleculeCounterManager* = nullptr);
 
    //
    // Calls to Molecule Counters
  public:
    // [[deprecated("This should only be used for IRT and may be replaced as well.")]]
    void AddMoleculeWithoutTrack(const G4MolecularConfiguration*, G4double, G4int = 1);
    // [[deprecated("This should only be used for IRT and may be replaced as well.")]]
    void RemoveMoleculeWithoutTrack(const G4MolecularConfiguration*, G4double, G4int = 1);
 
    void AddMolecule(const G4Track*, G4double, G4int = 1);
    void RemoveMolecule(const G4Track*, G4double, G4int = 1);
 
    void AddMolecule(const G4Track*, const G4StepPoint*, G4double, G4int = 1);
    void RemoveMolecule(const G4Track*, const G4StepPoint*, G4double, G4int = 1);
 
    void ActivateCounterAtTimes(G4int, G4double, G4double, G4bool = true, G4bool = true);
 
    //
    // Calls to Molecule Reaction Counters
 
    // [[deprecated("TBD")]]
    void RecordReaction(const G4DNAMolecularReactionData*, G4double, G4int = 1);
    // void RecordReaction(const G4Track*, const G4Track*, const G4DNAMolecularReactionData*, G4double,
    //                     G4int = 1);
 
    void ActivateReactionCounterAtTimes(G4int, G4double, G4double, G4bool = true, G4bool = true);
 
    //
    // Other Calls to both types or only one (e.g., BroadcastIgnoreMolecule)
 
    void ResetCounters();
 
    void NotifyOfStep(const G4Step*);
    void NotifyOfFinalize();
 
    // These will be broadcast to all counters registered at time of call
    void BroadcastIgnoreMolecule(const G4MoleculeDefinition*);
    void BroadcastIgnoreReactant(const G4MolecularConfiguration*);
    void BroadcastRegisterAllMoleculesAndReactants();
 
  private:
    static const G4MoleculeCounterManager* fpMasterInstance;
    static std::vector<const G4MoleculeCounterManager*> fWorkerInstances;
    G4ThreadLocalStatic std::unique_ptr<G4MoleculeCounterManager> fpInstance;
 
    std::unique_ptr<G4MoleculeCounterManagerMessenger> fpMessenger;
 
    G4int fVerbosity;
    G4bool fIsInitialized;
    G4bool fIsActive;
    static std::atomic<G4bool> fResetCountersBeforeEvent;
    static std::atomic<G4bool> fResetCountersBeforeRun;
    static std::atomic<G4bool> fResetMasterCounterWithWorkers;
    static std::atomic<G4bool> fAccumulateCounterIntoMaster;
 
    std::map<G4int, G4VMoleculeCounter*> fCounters{};
    std::map<G4int, G4VMoleculeReactionCounter*> fReactionCounters{};
 
  public:
    G4bool GetIsActive() const { return fIsActive; }
    void SetIsActive(G4bool flag) { fIsActive = flag; }
 
    G4int GetVerbosity() const { return fVerbosity; }
    void SetVerbosity(G4int v) { fVerbosity = v; }
 
    G4bool GetResetCountersBeforeEvent() const;
    void SetResetCountersBeforeEvent(G4bool = true);
 
    G4bool GetResetCountersBeforeRun() const;
    void SetResetCountersBeforeRun(G4bool = true);
 
    G4bool GetResetMasterCounterWithWorkers() const;
    void SetResetMasterCounterWithWorkers(G4bool = true);
 
    G4bool GetAccumulateCounterIntoMaster() const;
    void SetAccumulateCounterIntoMaster(G4bool = true);
 
    std::vector<const G4VMoleculeCounter*> GetMoleculeCounters() const;
    std::vector<const G4VMoleculeCounter*> GetMoleculeCounters(G4String) const;
    template<typename T = G4VMoleculeCounter>
    const T* GetMoleculeCounter(G4int) const;
    G4VMoleculeCounter* GetEditableMoleculeCounter(G4int) const;
 
    std::vector<const G4VMoleculeReactionCounter*> GetMoleculeReactionCounters() const;
    std::vector<const G4VMoleculeReactionCounter*> GetMoleculeReactionCounters(G4String) const;
    G4VMoleculeReactionCounter* GetEditableMoleculeReactionCounter(G4int) const;
    template<typename T = G4VMoleculeReactionCounter>
    const T* GetMoleculeReactionCounter(G4int) const;
 
  private:
    G4ThreadLocalStatic std::atomic<G4bool> fBeginOfEventTriggered;
    static std::atomic<G4bool> fBeginOfRunTriggered;
};
 
//------------------------------------------------------------------------------
 
template<typename T>
G4int G4MoleculeCounterManager::RegisterCounter(std::map<G4int, T*>& map,
                                                std::unique_ptr<T> counter,
                                                std::function<G4int()> idProvider)
{
  // this template allows for more than one counter type to be registered in the same way without
  // duplicating code; see public methods for G4VMoleculeCounter and G4VMoleculeReactionCounter
 
  if (fVerbosity > 0) {
    G4cout << "G4MoleculeCounterManager::RegisterCounter ("
           << (G4Threading::IsMasterThread() ? "master" : "worker") << ")" << G4endl;
  }
 
  if (counter->GetManagedId() >= 0) {
    G4ExceptionDescription description;
    description << "Trying to add a counter whose id was already altered to be non-negative!\n";
    description << "  Id: " << counter->GetManagedId() << "\n";
    description << "Name: " << counter->GetName();
    G4Exception("G4MoleculeCounterManager::RegisterCounter", "MOLMAN002", FatalErrorInArgument,
                description);
  }
 
  T* sp = counter.release();
  // Set managed Id
  sp->SetManagedId(idProvider());
 
  map.emplace(sp->GetManagedId(), sp);
 
  return sp->GetManagedId();
}
 
//------------------------------------------------------------------------------
 
template<typename T>
const T* G4MoleculeCounterManager::GetMoleculeCounter(G4int id) const
{
  static_assert(std::is_base_of<G4VMoleculeCounter, T>::value,
                "T must be derived from G4VMoleculeCounter!");
  auto base_ptr = GetEditableMoleculeCounter(id);
  if (base_ptr == nullptr) return nullptr;
  const T* ptr = dynamic_cast<const T*>(base_ptr);
  return ptr;
}
 
template<typename T>
const T* G4MoleculeCounterManager::GetMoleculeReactionCounter(G4int id) const
{
  static_assert(std::is_base_of<G4VMoleculeReactionCounter, T>::value,
                "T must be derived from G4VMoleculeReactionCounter!");
  auto base_ptr = GetEditableMoleculeReactionCounter(id);
  if (base_ptr == nullptr) return nullptr;
  const T* ptr = dynamic_cast<const T*>(base_ptr);
  return ptr;
}
 
//------------------------------------------------------------------------------
 
#endif  // G4MOLECULECOUNTERMANAGER_HH