basic/include/MoleculeCounter.hh

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0025 //
0026 // The `molcounters` example(s) are provided as part of Geant4-DNA
0027 // and any report or published result obtained using it shall cite
0028 // the respective Geant4-DNA collaboration publications.
0029 //
0030 // Reports or results obtained using the spatially-aware `MoleculeCounter`
0031 // provided in this example, shall further cite:
0032 //
0033 // Velten & Tomé, Radiation Physics and Chemistry, 2023 (10.1016/j.radphyschem.2023.111194)
0034 //
0035 //
0036 // Author: Christian Velten (2025)
0037 //
0038
0039 #ifndef MoleculeCounter_hh
0040 #define MoleculeCounter_hh 1
0041
0042 #include "G4MolecularConfiguration.hh"
0043 #include "G4VPhysicalVolume.hh"
0044 #include "G4VTouchable.hh"
0045 #include "G4VUserMoleculeCounter.hh"
0046
0047 #include <map>
0048 #include <set>
0049 #include <vector>
0050
0051 class G4Navigator;
0052
0053 class G4StepPoint;
0054
0055 class G4Material;
0056
0057 class G4Track;
0058
0059 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0060 struct MoleculeCounterIndex : G4VMoleculeCounter::G4VMoleculeCounterIndex
0061 {
0062     const G4MolecularConfiguration* Molecule;
0063     const G4VPhysicalVolume* Volume;
0064     std::vector<G4int> CopyNumbers;
0065
0066     MoleculeCounterIndex() : Molecule(nullptr), Volume(nullptr), CopyNumbers() {}
0067
0068     MoleculeCounterIndex(const MoleculeCounterIndex&) = default;
0069
0070     MoleculeCounterIndex(MoleculeCounterIndex&&) = default;
0071
0072     MoleculeCounterIndex(const G4MolecularConfiguration* molecule, const G4VTouchable* touchable)
0073       : Molecule(molecule), CopyNumbers()
0074     {
0075       if (touchable == nullptr) {
0076         Volume = nullptr;
0077       }
0078       else {
0079         Volume = touchable->GetVolume();
0080         CopyNumbers.reserve(touchable->GetHistoryDepth());
0081         for (auto i = 0; i < touchable->GetHistoryDepth(); ++i)
0082           CopyNumbers.push_back(touchable->GetCopyNumber(i));
0083       }
0084     }
0085
0086     MoleculeCounterIndex(const G4MolecularConfiguration* molecule,
0087                          const G4VPhysicalVolume* volume,  // should be removed ?
0088                          const std::vector<G4int>& copyNumbers)
0089       : Molecule(molecule), Volume(volume), CopyNumbers(copyNumbers)
0090     {}
0091
0092     ~MoleculeCounterIndex() override = default;
0093
0094     MoleculeCounterIndex& operator=(const MoleculeCounterIndex&) = default;
0095
0096     MoleculeCounterIndex& operator=(MoleculeCounterIndex&&) = default;
0097
0098     G4bool operator<(G4VMoleculeCounterIndex const& other) const override
0099     {
0100       return *this < dynamic_cast<MoleculeCounterIndex const&>(other);
0101     }
0102
0103     G4bool operator<(MoleculeCounterIndex const& other) const
0104     {
0105       if (std::less<>{}(Molecule, other.Molecule)) return true;
0106       if (std::less<>{}(other.Molecule, Molecule)) return false;
0107
0108       if (std::less<>{}(Volume, other.Volume)) return true;
0109       if (std::less<>{}(other.Volume, Volume)) return false;
0110
0111       return CopyNumbers < other.CopyNumbers;
0112     }
0113
0114     G4bool operator==(G4VMoleculeCounterIndex const& other) const override
0115     {
0116       return *this == dynamic_cast<MoleculeCounterIndex const&>(other);
0117     }
0118
0119     G4bool operator==(const MoleculeCounterIndex& other) const
0120     {
0121       return std::tie(Molecule, Volume) == std::tie(other.Molecule, other.Volume)
0122              && CopyNumbers == other.CopyNumbers;
0123     }
0124
0125     G4String GetInfo() const override
0126     {
0127       G4String info = "(";
0128       const G4String& null = "null";
0129       info += Molecule == nullptr ? null : Molecule->GetName();
0130       info += ", ";
0131       info += Volume == nullptr ? null : Volume->GetName();
0132       info += ")";
0133       return info;
0134     }
0135
0136     const G4MolecularConfiguration* GetMolecule() const override { return Molecule; }
0137 };
0138
0139 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0140 class MoleculeCounter : public G4VUserMoleculeCounter<MoleculeCounterIndex>
0141 {
0142   public:
0143     MoleculeCounter(G4String = "MoleculeCounter");
0144
0145     ~MoleculeCounter() override = default;
0146
0147   public:
0148     void InitializeUser() override;
0149
0150     std::unique_ptr<G4VMoleculeCounterIndex> BuildIndex(const G4Track*) const override;
0151
0152     std::unique_ptr<G4VMoleculeCounterIndex> BuildIndex(const G4Track*,
0153                                                         const G4StepPoint*) const override;
0154
0155     std::unique_ptr<G4VMoleculeCounterIndex>
0156     BuildSimpleIndex(const G4MolecularConfiguration*) const override;
0157
0158     G4bool GetIgnoreMoleculePosition() const;
0159
0160     void SetIgnoreMoleculePosition(G4bool);
0161
0162     void SetNegativeCountsAreFatal(G4bool);
0163
0164   protected:
0165     static G4ThreadLocal std::unique_ptr<G4Navigator> fNavigator;
0166
0167     G4bool fIgnoreMoleculePosition{false};
0168     G4bool fIgnoreCopyNumbers{false};
0169 };
0170 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0171 #endif