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G4DNAChemistryManager.hh
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26 // $Id: G4DNAChemistryManager.hh 75583 2013-11-04 12:16:46Z gcosmo $
27 //
28 // Author: Mathieu Karamitros (kara@cenbg.in2p3.fr)
29 //
30 // WARNING : This class is released as a prototype.
31 // It might strongly evolve or even disapear in the next releases.
32 //
33 // History:
34 // -----------
35 // 10 Oct 2011 M.Karamitros created
36 //
37 // -------------------------------------------------------------------
38 
39 #ifndef G4DNACHEMISTRYMANAGER_HH
40 #define G4DNACHEMISTRYMANAGER_HH
41 
42 #include "globals.hh"
43 #include "G4ThreeVector.hh"
44 #include <fstream>
45 #include <memory>
46 
47 class G4Track;
50 class G4Molecule;
51 
53 {
57 };
58 
59 /**
60  * G4DNAChemistryManager is called from the physics models.
61  * It creates the water molecules and the solvated electrons and
62  * and send them to synchronous step manager to be treated in the chemistry stage.
63  * For this, the fActiveChemistry flag needs to be on.
64  * It is also possible to give already molecule's pointers already built.
65  * G4DNAChemistryManager will then be in charge of creating the track and loading
66  * it to the IT system.
67  * The user can also ask to create a file containing a information about the
68  * creation of water molecules and solvated electrons.
69  */
70 
72 {
73  friend class std::auto_ptr<G4DNAChemistryManager>;
75 
76 public:
78 
79  /**
80  * You should rather use DeleteInstance than the destructor of this class
81  */
82  static void DeleteInstance();
83 
84 
85  /**
86  * Tells the chemMan to write into a file
87  * the position and electronic state of the water molecule
88  * and the position thermalized or not of the solvated electron
89  */
90  void WriteInto(const G4String&, std::ios_base::openmode mode = std::ios_base::out);
91 
92  /** Close the file specified with WriteInto
93  */
94  void CloseFile();
95  inline G4bool IsChemistryActived();
96  inline void SetChemistryActivation(G4bool);
97 
98  /**
99  * Method used by DNA physics model to create a water molecule.
100  * The ElectronicModification is a flag telling wheter the molecule
101  * is ionized or excited, the electronic level is calculated by the
102  * model and the IncomingTrack is the track responsible for the creation
103  * of this molecule, for instance an electron.
104  */
106  G4int /*electronicLevel*/,
107  const G4Track* /*theIncomingTrack*/);
108 
109  /**
110  * On the same idea as the previous method but for solvated electron.
111  * This method should be used by the physics model of the ElectronSolvatation
112  * process.
113  */
114  void CreateSolvatedElectron(const G4Track* /*theIncomingTrack*/,
115  G4ThreeVector* finalPosition = 0);
116 
117  /**
118  * WARNING : In case chemistry is not activated, PushMolecule will take care
119  * of deleting the transfered molecule.
120  * Before calling this method, it is also possible to check if the chemistry is activated
121  * through IsChemistryActived().
122  * This method will create the track corresponding to the transfered molecule and will be in charge
123  * of loading the new track to the system.
124  */
125 
126  void PushMolecule(G4Molecule*& molecule,
127  double time, const G4ThreeVector& position, int parentID);
128 
129  /**
130  * WARNING : In case chemistry is not activated, PushMoleculeAtParentTimeAndPlace
131  * will take care of deleting the transfered molecule.
132  * Before calling this method, it is also possible to check if the chemistry is activated
133  * through IsChemistryActived().
134  * This method will create the track corresponding to the transfered molecule and will be in charge
135  * of loading the new track to the system.
136  */
138  const G4Track* /*theIncomingTrack*/);
139 
140 
142 
143 protected :
146  void InitializeFile();
148 
149 private:
150  static std::auto_ptr<G4DNAChemistryManager> fInstance;
151  bool fActiveChemistry;
152  G4bool fWriteFile;
153  static G4ThreadLocal std::ofstream* fOutput;
154 
155  G4DNAWaterExcitationStructure* fExcitationLevel;
156  G4DNAWaterIonisationStructure* fIonisationLevel;
157 };
158 
160 {
161  return fActiveChemistry;
162 }
163 
165 {
166  fActiveChemistry = flag;
167 }
168 
169 #endif // G4DNACHEMISTRYMANAGER_HH
void WriteInto(const G4String &, std::ios_base::openmode mode=std::ios_base::out)
void PushMoleculeAtParentTimeAndPlace(G4Molecule *&molecule, const G4Track *)
void CreateSolvatedElectron(const G4Track *, G4ThreeVector *finalPosition=0)
ElectronicModification
#define G4ThreadLocal
Definition: tls.hh:52
int G4int
Definition: G4Types.hh:78
G4DNAWaterExcitationStructure * GetExcitationLevel()
void PushMolecule(G4Molecule *&molecule, double time, const G4ThreeVector &position, int parentID)
bool G4bool
Definition: G4Types.hh:79
static G4DNAChemistryManager * Instance()
void CreateWaterMolecule(ElectronicModification, G4int, const G4Track *)
G4DNAWaterIonisationStructure * GetIonisationLevel()