Gabriele Cosmo
293 lines
9.3 KiB
C++
293 lines
9.3 KiB
C++
//
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// ********************************************************************
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// * License and Disclaimer *
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// * *
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// * The Geant4 software is copyright of the Copyright Holders of *
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// * the Geant4 Collaboration. It is provided under the terms and *
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// * conditions of the Geant4 Software License, included in the file *
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// * LICENSE and available at http://cern.ch/geant4/license . These *
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// * include a list of copyright holders. *
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// * *
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// * Neither the authors of this software system, nor their employing *
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// * institutes,nor the agencies providing financial support for this *
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// * work make any representation or warranty, express or implied, *
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// * regarding this software system or assume any liability for its *
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// * use. Please see the license in the file LICENSE and URL above *
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// * for the full disclaimer and the limitation of liability. *
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// * *
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// * This code implementation is the result of the scientific and *
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// * technical work of the GEANT4 collaboration. *
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// * By using, copying, modifying or distributing the software (or *
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// * any work based on the software) you agree to acknowledge its *
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// * use in resulting scientific publications, and indicate your *
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// * acceptance of all terms of the Geant4 Software license. *
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// ********************************************************************
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//
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// Contact: Mathieu Karamitros (kara (AT) cenbg . in2p3 . fr)
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//
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// WARNING : This class is released as a prototype.
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// It might strongly evolve or even disapear in the next releases.
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//
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// ----------------------------------------------------------------------
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// GEANT 4 class implementation file
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//
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// 21 Oct 2009 first implementation by A. Mantero and M.Karamitros
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// Based on prototype of A.Mantero
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// **********************************************************************
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//
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// Author: Mathieu Karamitros
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// The code is developed in the framework of the ESA AO7146
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//
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// We would be very happy hearing from you, send us your feedback! :)
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//
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// In order for Geant4-DNA to be maintained and still open-source,
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// article citations are crucial.
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// If you use Geant4-DNA chemistry and you publish papers about your software,
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// in addition to the general paper on Geant4-DNA:
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//
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// Int. J. Model. Simul. Sci. Comput. 1 (2010) 157–178
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//
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// we would be very happy if you could please also cite the following
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// reference papers on chemistry:
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//
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// J. Comput. Phys. 274 (2014) 841-882
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// Prog. Nucl. Sci. Tec. 2 (2011) 503-508
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#ifndef G4MoleculeDefinition_h
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#define G4MoleculeDefinition_h 1
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#include "globals.hh"
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#include "G4ParticleDefinition.hh"
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#include "G4ios.hh"
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#include "G4ElectronOccupancy.hh"
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#include "G4MolecularDissociationTable.hh"
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#include "G4MolecularDissociationChannel.hh"
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#include "G4FakeParticleID.hh"
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class G4MolecularDissociationChannel;
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class G4MolecularDissociationTable;
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class G4MolecularConfiguration;
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// -----------------------------------------------------------------------------
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// ### MoleculeDefinition ###
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// -----------------------------------------------------------------------------
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class G4MoleculeDefinition: public G4ParticleDefinition
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{
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public:
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G4MoleculeDefinition(const G4String& name,
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G4double mass,
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G4double diffCoeff,
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G4int charge = 0,
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G4int electronicLevels = 0,
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G4double radius = -1,
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G4int atomsNumber = -1,
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G4double lifetime = -1,
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const G4String& aType = "",
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G4FakeParticleID ID = G4FakeParticleID::Create());
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~G4MoleculeDefinition() override;
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G4MoleculeDefinition(const G4MoleculeDefinition&) = delete;
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G4MoleculeDefinition& operator=(const G4MoleculeDefinition&) = delete;
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// Set the electronic configuration at ground level
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void SetLevelOccupation(G4int,
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G4int eNb = 2);
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// set the occupation(0(def), 1 or 2) of the level specified
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//(levels numbering starts from 0)
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//methods to set/get diffusion properties
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inline void SetDiffusionCoefficient(G4double);
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inline G4double GetDiffusionCoefficient() const;
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inline void SetAtomsNumber(G4int);
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inline G4int GetAtomsNumber() const;
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inline void SetVanDerVaalsRadius(G4double);
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inline G4double GetVanDerVaalsRadius() const;
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//____________________________________________________________________________
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// Create more molecular configurations for this molecule definition
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// Other ways : through G4MolecularTable
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// Note: the userID of the created molecule configuration will be:
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// MoleculeDefinationName_excitedStateLabel
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G4MolecularConfiguration*
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NewConfiguration(const G4String& excitedStateLabel);
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G4MolecularConfiguration*
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NewConfigurationWithElectronOccupancy(const G4String& excitedStateLabel,
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const G4ElectronOccupancy&,
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double decayTime = 0.);
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G4MolecularConfiguration*
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GetConfigurationWithLabel(const G4String& molecularConfLabel);
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//____________________________________________________________________________
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// Build the decay table
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// Version 1
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void AddDecayChannel(const G4MolecularConfiguration* molConf,
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const G4MolecularDissociationChannel* channel);
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// Version 2
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void AddDecayChannel(const G4String& molecularConfLabel,
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const G4MolecularDissociationChannel* channel);
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//____________________________________________________________________________
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// "Get" methods related to decay
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const std::vector<const G4MolecularDissociationChannel*>*
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GetDecayChannels(const G4MolecularConfiguration*) const;
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const std::vector<const G4MolecularDissociationChannel*>*
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GetDecayChannels(const G4String&) const;
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inline const G4MolecularDissociationTable* GetDecayTable() const;
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inline G4MolecularDissociationTable* GetDecayTable();
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inline G4double GetDecayTime() const;
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//____________________________________________________________________________
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// General "Get" methods
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inline const G4ElectronOccupancy* GetGroundStateElectronOccupancy() const;
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inline G4int GetCharge() const;
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inline const G4String& GetName() const;
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inline G4double GetMass() const;
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inline const G4String& GetType() const;
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inline G4int GetNbElectrons() const;
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inline G4int GetNbMolecularShells() const;
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inline const G4String& GetFormatedName() const
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{
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return fFormatedName;
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}
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//____________________________________________________________________________
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inline void SetFormatedName(const G4String& name)
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{
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fFormatedName = name;
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}
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void Finalize();
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static G4MoleculeDefinition* Load(std::istream&);
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void Serialize(std::ostream&);
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protected:
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G4MoleculeDefinition();
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private:
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G4int fCharge;
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// Diffusion Coefficient in one medium only
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// Note : For the time being, we will consider only one diffusion
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// coefficient for the all simulation => diffusion in one medium only
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// If the user needs to use the diffusion in different materials,
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// she/he should contact the developers/maintainers of this package
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G4double fDiffusionCoefficient;
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G4int fAtomsNb;
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G4double fVanDerVaalsRadius;
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G4String fFormatedName;
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G4ElectronOccupancy* fElectronOccupancy;
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G4MolecularDissociationTable* fDecayTable;
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};
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inline void G4MoleculeDefinition::SetDiffusionCoefficient(G4double value)
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{
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fDiffusionCoefficient = value;
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}
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inline G4double G4MoleculeDefinition::GetDiffusionCoefficient() const
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{
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return fDiffusionCoefficient;
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}
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inline G4int G4MoleculeDefinition::GetCharge() const
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{
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return fCharge;
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}
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inline G4double G4MoleculeDefinition::GetDecayTime() const
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{
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return GetPDGLifeTime();
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}
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inline void G4MoleculeDefinition::SetAtomsNumber(G4int val)
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{
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fAtomsNb = val;
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}
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inline G4int G4MoleculeDefinition::GetAtomsNumber() const
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{
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return fAtomsNb;
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}
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inline void G4MoleculeDefinition::SetVanDerVaalsRadius(G4double val)
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{
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fVanDerVaalsRadius = val;
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}
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inline G4double G4MoleculeDefinition::GetVanDerVaalsRadius() const
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{
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return fVanDerVaalsRadius;
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}
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inline const G4ElectronOccupancy* G4MoleculeDefinition::GetGroundStateElectronOccupancy() const
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{
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return fElectronOccupancy;
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}
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inline const G4String& G4MoleculeDefinition::GetName() const
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{
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return GetParticleName();
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}
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inline G4double G4MoleculeDefinition::GetMass() const
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{
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return GetPDGMass();
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}
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inline const G4String& G4MoleculeDefinition::GetType() const
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{
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return GetParticleSubType();
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}
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inline G4int G4MoleculeDefinition::GetNbElectrons() const
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{
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if (fElectronOccupancy != nullptr)
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{
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return fElectronOccupancy->GetTotalOccupancy();
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}
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return 0;
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// return fNbOfElectrons;
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}
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inline G4int G4MoleculeDefinition::GetNbMolecularShells() const
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{
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if (fElectronOccupancy != nullptr)
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{
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return fElectronOccupancy->GetSizeOfOrbit();
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}
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return 0;
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}
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inline const G4MolecularDissociationTable* G4MoleculeDefinition::GetDecayTable() const
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{
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return fDecayTable;
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}
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inline G4MolecularDissociationTable* G4MoleculeDefinition::GetDecayTable()
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{
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return fDecayTable;
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}
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#endif
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