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Geant4/processes/electromagnetic/dna/molecules/management/src/G4MolecularDissociationTable.cc

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Differences between /processes/electromagnetic/dna/molecules/management/src/G4MolecularDissociationTable.cc (Version 11.3.0) and /processes/electromagnetic/dna/molecules/management/src/G4MolecularDissociationTable.cc (Version 11.1.3)


  1 //                                                  1 //
  2 // *******************************************      2 // ********************************************************************
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  8 // * LICENSE and available at  http://cern.ch/      8 // * LICENSE and available at  http://cern.ch/geant4/license .  These *
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 10 // *                                               10 // *                                                                  *
 11 // * Neither the authors of this software syst     11 // * Neither the authors of this software system, nor their employing *
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 13 // * work  make  any representation or  warran     13 // * work  make  any representation or  warranty, express or implied, *
 14 // * regarding  this  software system or assum     14 // * regarding  this  software system or assume any liability for its *
 15 // * use.  Please see the license in the file      15 // * use.  Please see the license in the file  LICENSE  and URL above *
 16 // * for the full disclaimer and the limitatio     16 // * for the full disclaimer and the limitation of liability.         *
 17 // *                                               17 // *                                                                  *
 18 // * This  code  implementation is the result      18 // * This  code  implementation is the result of  the  scientific and *
 19 // * technical work of the GEANT4 collaboratio     19 // * technical work of the GEANT4 collaboration.                      *
 20 // * By using,  copying,  modifying or  distri     20 // * By using,  copying,  modifying or  distributing the software (or *
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 23 // * acceptance of all terms of the Geant4 Sof     23 // * acceptance of all terms of the Geant4 Software license.          *
 24 // *******************************************     24 // ********************************************************************
 25 //                                                 25 //
 26 //                                                 26 //
 27 // WARNING : This class is released as a proto     27 // WARNING : This class is released as a prototype.
 28 // It might strongly evolve or even disapear i     28 // It might strongly evolve or even disapear in the next releases.
 29 //                                                 29 //
 30 // -------------------------------------------     30 // ----------------------------------------------------------------------
 31 //      GEANT 4 class implementation file          31 //      GEANT 4 class implementation file
 32 //                                                 32 //
 33 //      History: first implementation by Alfon     33 //      History: first implementation by Alfonso Mantero 4 Mar 2009
 34 //                                                 34 //
 35 // -------------------------------------------     35 // ----------------------------------------------------------------
 36                                                    36 
 37 #include "G4MolecularDissociationTable.hh"         37 #include "G4MolecularDissociationTable.hh"
 38 #include "G4MolecularDissociationChannel.hh"       38 #include "G4MolecularDissociationChannel.hh"
 39 #include "G4MolecularConfiguration.hh"             39 #include "G4MolecularConfiguration.hh"
 40                                                    40 
 41 using namespace std;                               41 using namespace std;
 42 using namespace G4DNA;                             42 using namespace G4DNA;
 43                                                    43 
 44 //____________________________________________     44 //______________________________________________________________________________
 45                                                    45 
 46 G4MolecularDissociationTable::G4MolecularDisso     46 G4MolecularDissociationTable::G4MolecularDissociationTable()
 47 = default;                                     <<  47 {
                                                   >>  48   ;
                                                   >>  49 }
 48                                                    50 
 49 //____________________________________________     51 //______________________________________________________________________________
 50                                                    52 
 51 G4MolecularDissociationTable::~G4MolecularDiss     53 G4MolecularDissociationTable::~G4MolecularDissociationTable()
 52 {                                                  54 {
 53   auto it_map = fDissociationChannels.begin(); <<  55   ChannelMap::iterator it_map = fDissociationChannels.begin();
 54                                                    56 
 55   for (; it_map != fDissociationChannels.end()     57   for (; it_map != fDissociationChannels.end(); it_map++)
 56   {                                                58   {
 57     vector<const G4MolecularDissociationChanne     59     vector<const G4MolecularDissociationChannel*>& decayChannels = it_map
 58         ->second;                                  60         ->second;
 59     if (!decayChannels.empty())                    61     if (!decayChannels.empty())
 60     {                                              62     {
 61       for (auto & decayChannel : decayChannels <<  63       for (int i = 0; i < (int) decayChannels.size(); i++)
 62       {                                            64       {
 63         if (decayChannel != nullptr)           <<  65         if (decayChannels[i])
 64         {                                          66         {
 65           delete decayChannel;                 <<  67           delete decayChannels[i];
 66           decayChannel = nullptr;              <<  68           decayChannels[i] = 0;
 67         }                                          69         }
 68       }                                            70       }
 69       decayChannels.clear();                       71       decayChannels.clear();
 70     }                                              72     }
 71   }                                                73   }
 72   fDissociationChannels.clear();                   74   fDissociationChannels.clear();
 73 }                                                  75 }
 74                                                    76 
 75 //____________________________________________     77 //______________________________________________________________________________
 76                                                    78 
 77 G4MolecularDissociationTable::                     79 G4MolecularDissociationTable::
 78   G4MolecularDissociationTable(const G4Molecul     80   G4MolecularDissociationTable(const G4MolecularDissociationTable& right)
 79 {                                                  81 {
 80   *this = right;                                   82   *this = right;
 81 }                                                  83 }
 82                                                    84 
 83 //____________________________________________     85 //______________________________________________________________________________
 84                                                    86 
 85 G4MolecularDissociationTable&                      87 G4MolecularDissociationTable&
 86 G4MolecularDissociationTable::operator=(const      88 G4MolecularDissociationTable::operator=(const G4MolecularDissociationTable& right)
 87 {                                                  89 {
 88   if(this == &right) return *this;                 90   if(this == &right) return *this;
 89   fDissociationChannels = right.fDissociationC     91   fDissociationChannels = right.fDissociationChannels;
 90   return *this;                                    92   return *this;
 91 }                                                  93 }
 92                                                    94 
 93 //____________________________________________     95 //______________________________________________________________________________
 94                                                    96 
 95 const vector<const G4MolecularDissociationChan     97 const vector<const G4MolecularDissociationChannel*>*
 96 G4MolecularDissociationTable::                     98 G4MolecularDissociationTable::
 97   GetDecayChannels(const G4MolecularConfigurat     99   GetDecayChannels(const G4MolecularConfiguration* conf) const
 98 {                                                 100 {
 99   auto it_exstates = fDissociationChannels.fin << 101   ChannelMap::const_iterator it_exstates = fDissociationChannels.find(conf);
100   if (it_exstates == fDissociationChannels.end << 102   if (it_exstates == fDissociationChannels.end()) return 0;
101   return &(it_exstates->second);                  103   return &(it_exstates->second);
102 }                                                 104 }
103                                                   105 
104 //____________________________________________    106 //______________________________________________________________________________
105                                                   107 
106 const vector<const G4MolecularDissociationChan    108 const vector<const G4MolecularDissociationChannel*>*
107 G4MolecularDissociationTable::GetDecayChannels    109 G4MolecularDissociationTable::GetDecayChannels(const G4String& exState) const
108 {                                                 110 {
109   for(const auto & fDissociationChannel : fDis << 111   for(ChannelMap::const_iterator it = fDissociationChannels.begin() ;
                                                   >> 112       it!=fDissociationChannels.end() ; ++it
                                                   >> 113       )
110   {                                               114   {
111     if(fDissociationChannel.first->GetLabel()  << 115     if(it->first->GetLabel() == exState) return &(it->second);
112   }                                               116   }
113   return nullptr;                              << 117   return 0;
114 }                                                 118 }
115                                                   119 
116 //____________________________________________    120 //______________________________________________________________________________
117                                                   121 
118 //void G4MolecularDissociationTable::             122 //void G4MolecularDissociationTable::
119 //  AddExcitedState(const G4String& label,        123 //  AddExcitedState(const G4String& label,
120 //                  const G4MolecularConfigura    124 //                  const G4MolecularConfiguration* molConf);
121 //{                                               125 //{
122 //                                                126 //
123 //}                                               127 //}
124                                                   128 
125 //____________________________________________    129 //______________________________________________________________________________
126                                                   130 
127 void G4MolecularDissociationTable::               131 void G4MolecularDissociationTable::
128   AddChannel(const G4MolecularConfiguration* m    132   AddChannel(const G4MolecularConfiguration* molConf,
129              const G4MolecularDissociationChan    133              const G4MolecularDissociationChannel* channel)
130 {                                                 134 {
131   fDissociationChannels[molConf].push_back(cha    135   fDissociationChannels[molConf].push_back(channel);
132 }                                                 136 }
133                                                   137 
134 //____________________________________________    138 //______________________________________________________________________________
135                                                   139 
136 void G4MolecularDissociationTable::CheckDataCo    140 void G4MolecularDissociationTable::CheckDataConsistency() const
137 {                                                 141 {
138   ChannelMap::const_iterator channelsIter;        142   ChannelMap::const_iterator channelsIter;
139                                                   143 
140   for(channelsIter = fDissociationChannels.beg    144   for(channelsIter = fDissociationChannels.begin();
141       channelsIter != fDissociationChannels.en    145       channelsIter != fDissociationChannels.end(); ++channelsIter)
142   {                                               146   {
143                                                   147 
144     const vector<const G4MolecularDissociation    148     const vector<const G4MolecularDissociationChannel*>& decayVect =
145         channelsIter->second;                     149         channelsIter->second;
146     G4double sum = 0;                             150     G4double sum = 0;
147                                                   151 
148     G4double max = decayVect.size();              152     G4double max = decayVect.size();
149                                                   153 
150     for(size_t i = 0; i < max; i++)               154     for(size_t i = 0; i < max; i++)
151     {                                             155     {
152       const G4MolecularDissociationChannel* de    156       const G4MolecularDissociationChannel* decay = decayVect[i];
153       const G4double prob = decay->GetProbabil    157       const G4double prob = decay->GetProbability();
154       sum += prob;                                158       sum += prob;
155     }                                             159     }
156                                                   160 
157     if(sum != 1)                                  161     if(sum != 1)
158     {                                             162     {
159       G4ExceptionDescription errMsg;              163       G4ExceptionDescription errMsg;
160       errMsg << "The probabilities for deecita    164       errMsg << "The probabilities for deecitation of molecular configuration "
161              << channelsIter->first->GetName()    165              << channelsIter->first->GetName()
162              << " with label :" <<  channelsIt    166              << " with label :" <<  channelsIter->first->GetLabel()
163              << " don't sum up to 1";             167              << " don't sum up to 1";
164       G4Exception("G4MolecularDissociationTabl    168       G4Exception("G4MolecularDissociationTable::CheckDataConsistency",
165                   "BRANCHING_RATIOS_CONSISTENC    169                   "BRANCHING_RATIOS_CONSISTENCY",
166                   FatalErrorInArgument,           170                   FatalErrorInArgument,
167                   errMsg);                        171                   errMsg);
168     }                                             172     }
169   }                                               173   }
170 }                                                 174 }
171                                                   175 
172 void G4MolecularDissociationTable::Serialize(s    176 void G4MolecularDissociationTable::Serialize(std::ostream& /*char_traits*/)
173 {                                                 177 {
174   // TODO                                         178   // TODO
175 }                                                 179 }
176                                                   180