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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 // Contact: Mathieu Karamitros (kara (AT) cenbg . in2p3 . fr)
0027 //
0028 // WARNING : This class is released as a prototype.
0029 // It might strongly evolve or even disapear in the next releases.
0030 //
0031 // The code is developed in the framework of the ESA AO7146
0032 //
0033 // We would be very happy hearing from you, send us your feedback! :)
0034 //
0035 // In order for Geant4-DNA to be maintained and still open-source,
0036 // article citations are crucial. 
0037 // If you use Geant4-DNA chemistry and you publish papers about your software, 
0038 // in addition to the general paper on Geant4-DNA:
0039 //
0040 // Int. J. Model. Simul. Sci. Comput. 1 (2010) 157–178
0041 //
0042 // we ask that you please cite the following reference papers on chemistry:
0043 //
0044 // J. Comput. Phys. 274 (2014) 841-882
0045 // Prog. Nucl. Sci. Tec. 2 (2011) 503-508 
0046 //
0047 // ----------------------------------------------------------------
0048 //      GEANT 4 class header file
0049 //
0050 //      History: first implementation, Alfonso Mantero 6 Mar 2009
0051 // ----------------------------------------------------------------
0052 //
0053 
0054 #pragma once
0055 
0056 #include <vector>
0057 #include <map>
0058 #include "G4VMolecularDissociationDisplacer.hh"
0059 
0060 class G4Molecule;
0061 class G4MolecularConfiguration;
0062 
0063 class G4MolecularDissociationChannel
0064 {
0065 public:
0066     G4MolecularDissociationChannel();
0067     explicit G4MolecularDissociationChannel(const G4String&);
0068     ~G4MolecularDissociationChannel() = default;
0069     G4MolecularDissociationChannel(const G4MolecularDissociationChannel&) = default;
0070 
0071     G4MolecularDissociationChannel&
0072     operator=(const G4MolecularDissociationChannel& right) = default;
0073 
0074     using Product = const G4MolecularConfiguration;
0075     using ProductList = std::vector<Product*>;
0076 
0077 public:
0078 
0079     void AddProduct(Product*, G4double displacement = 0.);
0080 
0081     inline void SetName(const G4String&);
0082     inline void SetEnergy(G4double);
0083     inline void SetProbability(G4double);
0084     inline void SetDecayTime(G4double);
0085     inline void SetRMSMotherMoleculeDisplacement(G4double);
0086     inline void SetDisplacementType(DisplacementType);
0087 
0088 
0089     inline const G4String& GetName() const;
0090     G4int GetNbProducts() const;
0091     Product* GetProduct(int) const;
0092     inline const std::vector<G4double>& GetRMSProductsDisplacement() const;
0093     inline G4double GetEnergy() const;
0094     inline G4double GetProbability() const;
0095     inline G4double GetDecayTime() const;
0096     inline G4double GetRMSMotherMoleculeDisplacement() const;
0097     inline DisplacementType GetDisplacementType() const;
0098 
0099     G4double GetRMSRadialDisplacementOfProduct(Product*);
0100 
0101 private:
0102     DisplacementType fDisplacementType;
0103     G4String fName;
0104     ProductList fProductsVector;
0105     G4double fReleasedEnergy;
0106     G4double fProbability;
0107     G4double fDecayTime;
0108     // Root Mean Square radial distance jump of the mother molecule
0109     G4double fRMSMotherMoleculeDisplacement;
0110     std::vector<G4double> fRMSProductsDisplacementVector;
0111 };
0112 
0113 //______________________________________________________________________________
0114 
0115 inline void G4MolecularDissociationChannel::SetName(const G4String& value)
0116 {
0117     fName = value;
0118 }
0119 
0120 //______________________________________________________________________________
0121 
0122 inline void G4MolecularDissociationChannel::SetEnergy(G4double value)
0123 {
0124     fReleasedEnergy = value;
0125 }
0126 
0127 //______________________________________________________________________________
0128 
0129 inline void G4MolecularDissociationChannel::SetProbability(G4double value)
0130 {
0131     fProbability = value;
0132 }
0133 
0134 //______________________________________________________________________________
0135 
0136 inline void G4MolecularDissociationChannel::SetDecayTime(G4double value)
0137 {
0138 
0139     fDecayTime = value;
0140 }
0141 
0142 //______________________________________________________________________________
0143 
0144 inline void G4MolecularDissociationChannel::
0145 SetRMSMotherMoleculeDisplacement(G4double value)
0146 {
0147     fRMSMotherMoleculeDisplacement = value;
0148 }
0149 
0150 //______________________________________________________________________________
0151 
0152 inline const G4String& G4MolecularDissociationChannel::GetName() const
0153 {
0154     return fName;
0155 }
0156 
0157 //______________________________________________________________________________
0158 
0159 inline const std::vector<G4double>&
0160 G4MolecularDissociationChannel::GetRMSProductsDisplacement() const
0161 {
0162     return fRMSProductsDisplacementVector;
0163 }
0164 
0165 //______________________________________________________________________________
0166 
0167 inline G4double G4MolecularDissociationChannel::GetEnergy() const
0168 {
0169     return fReleasedEnergy;
0170 }
0171 
0172 //______________________________________________________________________________
0173 
0174 inline G4double G4MolecularDissociationChannel::GetProbability() const
0175 {
0176     return fProbability;
0177 }
0178 
0179 //______________________________________________________________________________
0180 
0181 inline G4double G4MolecularDissociationChannel::GetDecayTime() const
0182 {
0183     return fDecayTime;
0184 }
0185 
0186 //______________________________________________________________________________
0187 
0188 inline G4double G4MolecularDissociationChannel::
0189 GetRMSMotherMoleculeDisplacement() const
0190 {
0191     return fRMSMotherMoleculeDisplacement;
0192 }
0193 
0194 //______________________________________________________________________________
0195 
0196 inline void G4MolecularDissociationChannel::
0197 SetDisplacementType(DisplacementType aDisplacementType)
0198 {
0199     fDisplacementType = aDisplacementType;
0200 }
0201 
0202 //______________________________________________________________________________
0203 
0204 inline DisplacementType G4MolecularDissociationChannel::
0205 GetDisplacementType() const
0206 {
0207     return fDisplacementType;
0208 }