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26 //
27 /// \file PhysChemIO.cc
28 /// \brief Implementation of the PhysChemIO cl
29
30 #include "PhysChemIO.hh"
31 #include "SteppingAction.hh"
32 #include "Analysis.hh"
33 #include "G4Track.hh"
34 #include "G4NavigationHistory.hh"
35 #include "G4RunManager.hh"
36
37 #ifdef USE_MPI
38 #include "G4MPImanager.hh"
39 #endif
40
41 //....oooOO0OOooo........oooOO0OOooo........oo
42
43 PhysChemIO::PhysChemIO(SteppingAction* stepAct
44 fSteppingAction(stepAction)
45 {;}
46
47 //....oooOO0OOooo........oooOO0OOooo........oo
48
49 void PhysChemIO::CreateWaterMolecule(G4int ele
50 G4double /
51 const G4Tr
52 {
53 //L.T. Anh: to correct electronicLevel in
54 //see in G4DNAChemistryManager::CreateWate
55 electronicLevel = 4 - electronicLevel;
56 //Rel pos
57 G4ThreeVector relPos;
58 auto touchable = theIncomingTrack->GetStep
59 relPos = touchable->GetHistory()->GetTopTr
60
61 // Get the flag of the current volume
62 G4int volumeFlag =fSteppingAction->SetupVo
63 theIncomingTrack->GetStep()->GetPreSte
64
65 if( volumeFlag == 161 // voxelStraight
66 || volumeFlag == 162 // voxelRight
67 || volumeFlag == 163 // voxelLeft
68 || volumeFlag == 164 // voxelUp
69 || volumeFlag == 165 // voxelDown
70 || volumeFlag == 261 // voxelStraight
71 || volumeFlag == 262 // voxelRight2
72 || volumeFlag == 263 // voxelLeft2
73 || volumeFlag == 264 // voxelUp2
74 || volumeFlag == 265) // voxelDown2
75 {
76 // Get the volume copy number
77 G4int volumeCpNum = touchable->GetCopy
78 //theIncomingTrack->GetStep()->GetPreS
79
80 // Default flag values
81 G4String motherVolumeName = "";
82 G4int motherVolumeFlag = -1;
83 G4int motherVolumeCpNum = -1;
84
85 // Mother volume informations
86
87 // Be sure there is a mother volume to
88 if(theIncomingTrack->GetStep()->GetPre
89 {
90 G4VPhysicalVolume* motherVol = the
91
92 // General infos
93 motherVolumeName = motherVol->GetN
94 motherVolumeFlag = fSteppingAction
95 motherVolumeCpNum = motherVol->Get
96 }
97 G4int eventId = G4RunManager::GetRunMa
98 #ifdef USE_MPI
99 auto g4MPI = G4MPImanager::GetManager(
100 if (g4MPI->IsSlave()) { // update even
101 G4int rank = g4MPI->GetRank();
102 eventId += g4MPI->GetEventsInMaste
103 }
104 #endif
105
106 InfoForChemGeo aInfo;
107 aInfo.fType = 1; // water=1
108 aInfo.fState = electronicModif ;
109 aInfo.fElectronicLevel = electronicLev
110 aInfo.fX = theIncomingTrack->GetPositi
111 aInfo.fY = theIncomingTrack->GetPositi
112 aInfo.fZ = theIncomingTrack->GetPositi
113 aInfo.fParentTrackID = theIncomingTrac
114 aInfo.fEventNumber = eventId;
115 aInfo.fVolume = volumeFlag ;
116 aInfo.fVolumeCopyNumber = volumeCpNum;
117 aInfo.fMotherVolume = motherVolumeFlag
118 aInfo.fMotherVolumeCopyNumber = mother
119 aInfo.fRelX = relPos.x()/nm;
120 aInfo.fRelY = relPos.y()/nm;
121 aInfo.fRelZ = relPos.z()/nm;
122 Analysis::GetAnalysis()->AddInfoForChe
123 }
124 }
125
126 //....oooOO0OOooo........oooOO0OOooo........oo
127
128 void PhysChemIO::CreateSolvatedElectron(const
129 {
130 G4ThreeVector pos;
131 if(finalPosition) pos = *finalPosition;
132 else pos = theIncomingTrack->GetPosition()
133
134 // Rel pos
135 G4ThreeVector relPos;
136 const G4VTouchable* touchable = theIncomin
137 relPos = touchable->GetHistory()->GetTopTr
138
139 // Current volume infos
140 G4int volumeFlag = fSteppingAction->SetupV
141 theIncomingTrack->GetStep()->GetPreSte
142 if( volumeFlag == 161 // voxelStraight
143 || volumeFlag == 162 // voxelRight
144 || volumeFlag == 163 // voxelLeft
145 || volumeFlag == 164 // voxelUp
146 || volumeFlag == 165 // voxelDown
147 || volumeFlag == 261 // voxelStraight
148 || volumeFlag == 262 // voxelRight2
149 || volumeFlag == 263 // voxelLeft2
150 || volumeFlag == 264 // voxelUp2
151 || volumeFlag == 265) // voxelDown2
152 {
153 G4int volumeCpNum = touchable->GetCopy
154
155 G4String motherVolumeName = "";
156 G4int motherVolumeFlag = -1;
157 G4int motherVolumeCpNum = -1;
158
159 // Mother volume informations
160 // Be sure there is a mother volume to
161 if(theIncomingTrack->GetStep()->GetPre
162 {
163 G4VPhysicalVolume* motherVol = the
164 // General infos
165 motherVolumeName = motherVol->GetN
166 motherVolumeFlag = fSteppingAction
167 motherVolumeCpNum = motherVol->Get
168 }
169 G4int eventId = G4RunManager::GetRunMa
170 #ifdef USE_MPI
171 auto g4MPI = G4MPImanager::GetManager(
172 if (g4MPI->IsSlave()) { // update even
173 G4int rank = g4MPI->GetRank();
174 eventId += g4MPI->GetEventsInMaste
175 }
176 #endif
177
178 InfoForChemGeo aInfo;
179 aInfo.fType = 2; // / solvated electro
180 aInfo.fState = -1; // no state for sol
181 aInfo.fElectronicLevel = -1; // no ele
182 aInfo.fX = pos.x()/nm;
183 aInfo.fY = pos.y()/nm;
184 aInfo.fZ = pos.z()/nm;
185 aInfo.fParentTrackID = theIncomingTrac
186 aInfo.fEventNumber = eventId;
187 aInfo.fVolume = volumeFlag ;
188 aInfo.fVolumeCopyNumber = volumeCpNum
189 aInfo.fMotherVolume = motherVolumeFlag
190 aInfo.fMotherVolumeCopyNumber = mothe
191 aInfo.fRelX = relPos.x()/nm;
192 aInfo.fRelY = relPos.y()/nm;
193 aInfo.fRelZ = relPos.z()/nm;
194 Analysis::GetAnalysis()->AddInfoForChe
195 }
196 }
197
198 //....oooOO0OOooo........oooOO0OOooo........oo