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geant4/source/processes/electromagnetic/dna/molecules/management/include/G4MoleculeCounter.hh
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//
// ********************************************************************
// * License and Disclaimer *
// * *
// * The Geant4 software is copyright of the Copyright Holders of *
// * the Geant4 Collaboration. It is provided under the terms and *
// * conditions of the Geant4 Software License, included in the file *
// * LICENSE and available at http://cern.ch/geant4/license . These *
// * include a list of copyright holders. *
// * *
// * Neither the authors of this software system, nor their employing *
// * institutes,nor the agencies providing financial support for this *
// * work make any representation or warranty, express or implied, *
// * regarding this software system or assume any liability for its *
// * use. Please see the license in the file LICENSE and URL above *
// * for the full disclaimer and the limitation of liability. *
// * *
// * This code implementation is the result of the scientific and *
// * technical work of the GEANT4 collaboration. *
// * By using, copying, modifying or distributing the software (or *
// * any work based on the software) you agree to acknowledge its *
// * use in resulting scientific publications, and indicate your *
// * acceptance of all terms of the Geant4 Software license. *
// ********************************************************************
//
// Author: Mathieu Karamitros
// The code is developed in the framework of the ESA AO7146
//
// We would be very happy hearing from you, send us your feedback! :)
//
// In order for Geant4-DNA to be maintained and still open-source,
// article citations are crucial.
// If you use Geant4-DNA chemistry and you publish papers about your software,
// in addition to the general paper on Geant4-DNA:
//
// Int. J. Model. Simul. Sci. Comput. 1 (2010) 157178
//
// we would be very happy if you could please also cite the following
// reference papers on chemistry:
//
// J. Comput. Phys. 274 (2014) 841-882
// Prog. Nucl. Sci. Tec. 2 (2011) 503-508
#ifndef G4MoleculeCounter_h
#define G4MoleculeCounter_h
#include "G4VMoleculeCounter.hh"
#include <map>
#include <memory>
#include <set>
#include <vector>
//------------------------------------------------------------------------------
struct compDoubleWithPrecision{
bool operator()(const double& a, const double& b) const{
if (std::fabs(a - b) < fPrecision){
return false;
}
else{
return a < b;
}
}
static G4ThreadLocal double fPrecision;
};
//------------------------------------------------------------------------------
typedef std::map<G4double, G4int, compDoubleWithPrecision>
NbMoleculeAgainstTime;
typedef std::unique_ptr<std::set<G4double> > RecordedTimes;
typedef std::set<G4double>::iterator RecordedTimesIterator;
//------------------------------------------------------------------------------
class G4MoleculeCounter : public G4VMoleculeCounter
{
//----------------------------------------------------------------------------
public:
typedef std::map<G4MolecularConfiguration*,
NbMoleculeAgainstTime> CounterMapType;
typedef std::unique_ptr<std::vector<G4MolecularConfiguration*> >
RecordedMolecules;
//----------------------------------------------------------------------------
protected:
G4MoleculeCounter();
virtual ~G4MoleculeCounter();
CounterMapType fCounterMap;
std::map<const G4MoleculeDefinition*, G4bool> fDontRegister;
G4int fVerbose;
G4bool fCheckTimeIsConsistentWithScheduler;
struct Search
{
Search(){
fLowerBoundSet = false;
}
CounterMapType::iterator fLastMoleculeSearched;
NbMoleculeAgainstTime::iterator fLowerBoundTime;
bool fLowerBoundSet;
};
std::unique_ptr<Search> fpLastSearch;
#ifdef MOLECULE_COUNTER_TESTING
public:
#else
protected:
#endif
friend class G4Molecule;
friend class G4VMoleculeCounter;
//----------------------------------------------------------------------------
public:
static G4MoleculeCounter* Instance();
//----------------------------------------------------------------------------
public:
void Initialize() override;
void ResetCounter() override;
void AddAMoleculeAtTime(G4MolecularConfiguration*,
G4double time,
const G4ThreeVector* position = nullptr,
int number = 1) override;
void RemoveAMoleculeAtTime(G4MolecularConfiguration*,
G4double time,
const G4ThreeVector* position = nullptr,
int number = 1) override;
/* The dynamics of the given molecule won't be saved into memory.*/
inline void DontRegister(const G4MoleculeDefinition*) override;
inline bool IsRegistered(const G4MoleculeDefinition*) override;
inline void RegisterAll() override;
//----------------------------------------------------------------------------
public:
int GetNMoleculesAtTime(G4MolecularConfiguration* molecule,
double time);
inline const NbMoleculeAgainstTime&
GetNbMoleculeAgainstTime(G4MolecularConfiguration* molecule);
RecordedMolecules GetRecordedMolecules();
RecordedTimes GetRecordedTimes();
inline void SetVerbose(G4int);
inline G4int GetVerbose();
/*
* It sets the min time difference in between two time slices.
*/
void SetTimeSlice(double);
void Dump();
inline G4bool IsTimeCheckedForConsistency() const
{
return fCheckTimeIsConsistentWithScheduler;
}
inline void CheckTimeForConsistency(G4bool flag)
{
fCheckTimeIsConsistentWithScheduler = flag;
}
//----------------------------------------------------------------------------
protected:
G4bool SearchTimeMap(G4MolecularConfiguration* molecule);
int SearchUpperBoundTime(double time, bool sameTypeOfMolecule);
};
//------------------------------------------------------------------------------
inline void G4MoleculeCounter::ResetCounter()
{
if(fVerbose)
{
G4cout << " ---> G4MoleculeCounter::ResetCounter" << G4endl;
}
fCounterMap.clear();
fpLastSearch.reset(0);
}
//------------------------------------------------------------------------------
inline const NbMoleculeAgainstTime&
G4MoleculeCounter::GetNbMoleculeAgainstTime(G4MolecularConfiguration* molecule)
{
return fCounterMap[molecule];
}
//------------------------------------------------------------------------------
inline void G4MoleculeCounter::SetVerbose(G4int level)
{
fVerbose = level;
}
//------------------------------------------------------------------------------
inline G4int G4MoleculeCounter::GetVerbose()
{
return fVerbose;
}
//------------------------------------------------------------------------------
inline void
G4MoleculeCounter::DontRegister(const G4MoleculeDefinition* molDef)
{
fDontRegister[molDef] = true;
}
//------------------------------------------------------------------------------
inline bool
G4MoleculeCounter::IsRegistered(const G4MoleculeDefinition* molDef)
{
if(fDontRegister.find(molDef) == fDontRegister.end()) return true;
return false;
}
//------------------------------------------------------------------------------
inline void G4MoleculeCounter::RegisterAll()
{
fDontRegister.clear();
}
#endif