include/Geant4/G4MoleculeCounter.hh

0001 //
0002 // ********************************************************************
0003 // * License and Disclaimer                                           *
0004 // *                                                                  *
0005 // * The  Geant4 software  is  copyright of the Copyright Holders  of *
0006 // * the Geant4 Collaboration.  It is provided  under  the terms  and *
0007 // * conditions of the Geant4 Software License,  included in the file *
0008 // * LICENSE and available at  http://cern.ch/geant4/license .  These *
0009 // * include a list of copyright holders.                             *
0010 // *                                                                  *
0011 // * Neither the authors of this software system, nor their employing *
0012 // * institutes,nor the agencies providing financial support for this *
0013 // * work  make  any representation or  warranty, express or implied, *
0014 // * regarding  this  software system or assume any liability for its *
0015 // * use.  Please see the license in the file  LICENSE  and URL above *
0016 // * for the full disclaimer and the limitation of liability.         *
0017 // *                                                                  *
0018 // * This  code  implementation is the result of  the  scientific and *
0019 // * technical work of the GEANT4 collaboration.                      *
0020 // * By using,  copying,  modifying or  distributing the software (or *
0021 // * any work based  on the software)  you  agree  to acknowledge its *
0022 // * use  in  resulting  scientific  publications,  and indicate your *
0023 // * acceptance of all terms of the Geant4 Software license.          *
0024 // ********************************************************************
0025 //
0026 // Author: Mathieu Karamitros
0027
0028 // The code is developed in the framework of the ESA AO7146
0029 //
0030 // We would be very happy hearing from you, send us your feedback! :)
0031 //
0032 // In order for Geant4-DNA to be maintained and still open-source,
0033 // article citations are crucial.
0034 // If you use Geant4-DNA chemistry and you publish papers about your software,
0035 // in addition to the general paper on Geant4-DNA:
0036 //
0037 // Int. J. Model. Simul. Sci. Comput. 1 (2010) 157–178
0038 //
0039 // we would be very happy if you could please also cite the following
0040 // reference papers on chemistry:
0041 //
0042 // J. Comput. Phys. 274 (2014) 841-882
0043 // Prog. Nucl. Sci. Tec. 2 (2011) 503-508
0044
0045 #pragma once
0046
0047 #include "G4VMoleculeCounter.hh"
0048 #include <map>
0049 #include <memory>
0050 #include <set>
0051 #include <vector>
0052
0053 //------------------------------------------------------------------------------
0054
0055 namespace G4 {
0056 namespace MoleculeCounter {
0057 struct TimePrecision
0058 {
0059     bool operator()(const double& a, const double& b) const;
0060     static G4ThreadLocal double fPrecision;
0061 };
0062 }
0063 }
0064 using NbMoleculeAgainstTime = std::map<G4double, G4int, G4::MoleculeCounter::TimePrecision>;
0065 using RecordedTimes = std::unique_ptr<std::set<G4double>>;
0066
0067 //------------------------------------------------------------------------------
0068
0069 class G4MoleculeCounter : public G4VMoleculeCounter
0070 {
0071     //----------------------------------------------------------------------------
0072 public:
0073     using ReactantList = std::vector<Reactant*>;
0074     using CounterMapType = std::map<Reactant*, NbMoleculeAgainstTime>;
0075     using RecordedMolecules = std::unique_ptr<ReactantList>;
0076
0077     static G4MoleculeCounter* Instance();
0078
0079     void Initialize() override;
0080     void ResetCounter() override;
0081
0082     /* The dynamics of the given molecule won't be saved into memory.*/
0083     void DontRegister(const G4MoleculeDefinition*) override;
0084     bool IsRegistered(const G4MoleculeDefinition*) override;
0085     void RegisterAll() override;
0086
0087     //----------------------------------------------------------------------------
0088
0089     int GetNMoleculesAtTime(Reactant* molecule, double time);
0090     const NbMoleculeAgainstTime& GetNbMoleculeAgainstTime(Reactant* molecule);
0091
0092     RecordedMolecules GetRecordedMolecules();
0093     RecordedTimes GetRecordedTimes();
0094
0095     void SetVerbose(G4int);
0096     G4int GetVerbose();
0097
0098     /* It sets the min time difference in between two time slices. */
0099     static void SetTimeSlice(double);
0100
0101     void Dump();
0102
0103     G4bool IsTimeCheckedForConsistency() const;
0104     void CheckTimeForConsistency(G4bool flag);
0105
0106 #ifdef MOLECULE_COUNTER_TESTING
0107 public:
0108 #else
0109 protected:
0110 #endif
0111     void AddAMoleculeAtTime(Reactant*,
0112                             G4double time,
0113                             const G4ThreeVector* position = nullptr,
0114                             int number = 1) override;
0115     void RemoveAMoleculeAtTime(Reactant*,
0116                                G4double time,
0117                                const G4ThreeVector* position = nullptr,
0118                                int number = 1) override;
0119
0120     //----------------------------------------------------------------------------
0121 protected:
0122     G4bool SearchTimeMap(Reactant* molecule);
0123     int SearchUpperBoundTime(double time, bool sameTypeOfMolecule);
0124
0125 protected:
0126     G4MoleculeCounter();
0127     ~G4MoleculeCounter() override;
0128
0129     CounterMapType fCounterMap;
0130     std::map<const G4MoleculeDefinition*, G4bool> fDontRegister;
0131
0132     G4int fVerbose;
0133     G4bool fCheckTimeIsConsistentWithScheduler;
0134
0135     struct Search
0136     {
0137         Search()
0138         {
0139             fLowerBoundSet = false;
0140         }
0141         CounterMapType::iterator fLastMoleculeSearched;
0142         NbMoleculeAgainstTime::iterator fLowerBoundTime;
0143         bool fLowerBoundSet;
0144     };
0145
0146     std::unique_ptr<Search> fpLastSearch;
0147
0148     friend class G4Molecule;
0149     friend class G4VMoleculeCounter;
0150 };