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26 26
27 #ifndef G4NistMaterialBuilder_h 27 #ifndef G4NistMaterialBuilder_h
28 #define G4NistMaterialBuilder_h 1 28 #define G4NistMaterialBuilder_h 1
29 29
30 //-------------------------------------------- 30 //---------------------------------------------------------------------------
31 // 31 //
32 // ClassName: G4NistMaterialBuilder 32 // ClassName: G4NistMaterialBuilder
33 // 33 //
34 // Description: Utility class to hold and mani 34 // Description: Utility class to hold and manipulate G4Materials
35 // 35 //
36 // Author: V.Ivanchenko 21.11.2004 36 // Author: V.Ivanchenko 21.11.2004
37 // 37 //
38 // Modifications: 38 // Modifications:
39 // 31.10.05 Add chemical effect and gas proper 39 // 31.10.05 Add chemical effect and gas properties (V.Ivanchenko)
40 // 27.02.06 V.Ivanchneko add ConstructNewGasMa 40 // 27.02.06 V.Ivanchneko add ConstructNewGasMaterial
41 // 11.05.06 V.Ivanchneko add warning flag to F 41 // 11.05.06 V.Ivanchneko add warning flag to FindOrBuildMaterial method
42 // 27.07.06 V.Ivanchneko set defaul warning=tr 42 // 27.07.06 V.Ivanchneko set defaul warning=true for FindOrBuildMaterial
43 // 27.07.07 V.Ivanchneko add matIndex vector t 43 // 27.07.07 V.Ivanchneko add matIndex vector to control built materials
44 // 28.07.07 V.Ivanchneko add BuildMaterial met 44 // 28.07.07 V.Ivanchneko add BuildMaterial method using Nist index
45 // 29.04.10 V.Ivanchneko add GetMeanIonisation 45 // 29.04.10 V.Ivanchneko add GetMeanIonisationEnergy method using Nist index
46 // 09.02.12 P.Gumplinger add ConstructNewIdeal 46 // 09.02.12 P.Gumplinger add ConstructNewIdealGasMaterial
47 // 47 //
48 //-------------------------------------------- 48 //----------------------------------------------------------------------------
49 // 49 //
50 // Class Description: 50 // Class Description:
51 // 51 //
52 // Element data from the NIST DB on Atomic Wei 52 // Element data from the NIST DB on Atomic Weights and Isotope Compositions
53 // http://physics.nist.gov/PhysRefData/Composi 53 // http://physics.nist.gov/PhysRefData/Compositions/index.html
54 // 54 //
55 55
56 #include "G4Material.hh" 56 #include "G4Material.hh"
57 #include "globals.hh" 57 #include "globals.hh"
58 58
59 #include <CLHEP/Units/PhysicalConstants.h> 59 #include <CLHEP/Units/PhysicalConstants.h>
60 60
61 #include <vector> 61 #include <vector>
62 62
63 class G4NistElementBuilder; 63 class G4NistElementBuilder;
64 64
65 class G4NistMaterialBuilder 65 class G4NistMaterialBuilder
66 { 66 {
67 public: 67 public:
68 G4NistMaterialBuilder(G4NistElementBuilder*, 68 G4NistMaterialBuilder(G4NistElementBuilder*, G4int verb = 0);
69 69
70 ~G4NistMaterialBuilder() = default; 70 ~G4NistMaterialBuilder() = default;
71 71
72 // Find or build a G4Material by name, from 72 // Find or build a G4Material by name, from dataBase
73 inline G4Material* FindMaterial(const G4Stri 73 inline G4Material* FindMaterial(const G4String& name) const;
74 G4Material* FindOrBuildMaterial(const G4Stri 74 G4Material* FindOrBuildMaterial(const G4String& name, G4bool warning = true);
75 75
76 // Find or build a simple material via atomi 76 // Find or build a simple material via atomic number
77 inline G4Material* FindSimpleMaterial(G4int 77 inline G4Material* FindSimpleMaterial(G4int Z) const;
78 G4Material* FindOrBuildSimpleMaterial(G4int 78 G4Material* FindOrBuildSimpleMaterial(G4int Z, G4bool warning);
79 79
80 // construct a G4Material from scratch by at 80 // construct a G4Material from scratch by atome count
81 G4Material* ConstructNewMaterial(const G4Str 81 G4Material* ConstructNewMaterial(const G4String& name, const std::vector<G4String>& elm,
82 const std::vector<G4int>& nbAtoms, G4doubl 82 const std::vector<G4int>& nbAtoms, G4double dens, G4State state = kStateSolid,
83 G4double temp = NTP_Temperature, G4double 83 G4double temp = NTP_Temperature, G4double pressure = CLHEP::STP_Pressure);
84 84
85 // construct a G4Material from scratch by fr 85 // construct a G4Material from scratch by fraction mass
86 G4Material* ConstructNewMaterial(const G4Str 86 G4Material* ConstructNewMaterial(const G4String& name, const std::vector<G4String>& elm,
87 const std::vector<G4double>& weight, G4dou 87 const std::vector<G4double>& weight, G4double dens, G4State state = kStateSolid,
88 G4double temp = NTP_Temperature, G4double 88 G4double temp = NTP_Temperature, G4double pressure = CLHEP::STP_Pressure);
89 89
90 // construct a gas G4Material from scratch b 90 // construct a gas G4Material from scratch by atome count
91 G4Material* ConstructNewGasMaterial( 91 G4Material* ConstructNewGasMaterial(
92 const G4String& name, const G4String& name 92 const G4String& name, const G4String& nameDB, G4double temp, G4double pres);
93 93
94 // Construct an ideal gas G4Material from sc 94 // Construct an ideal gas G4Material from scratch by atom count
95 G4Material* ConstructNewIdealGasMaterial(con 95 G4Material* ConstructNewIdealGasMaterial(const G4String& name, const std::vector<G4String>& elm,
96 const std::vector<G4int>& nbAtoms, G4doubl 96 const std::vector<G4int>& nbAtoms, G4double temp = NTP_Temperature,
97 G4double pressure = CLHEP::STP_Pressure); 97 G4double pressure = CLHEP::STP_Pressure);
98 98
99 // verbosity level defined by G4NistManager 99 // verbosity level defined by G4NistManager
100 void SetVerbose(G4int val); 100 void SetVerbose(G4int val);
101 101
102 // cout predefined materials: 102 // cout predefined materials:
103 // "simple" - only pure materials in basic s 103 // "simple" - only pure materials in basic state (Z = 1, ..., 98)
104 // "compound" - NIST compounds 104 // "compound" - NIST compounds
105 // "hep" - HEP materials and compounds 105 // "hep" - HEP materials and compounds
106 // "biochemical" - bio-chemical materials 106 // "biochemical" - bio-chemical materials
107 // "all" - all 107 // "all" - all
108 void ListMaterials(const G4String&) const; 108 void ListMaterials(const G4String&) const;
109 109
110 // cout lists of predefined materials 110 // cout lists of predefined materials
111 void ListNistSimpleMaterials() const; 111 void ListNistSimpleMaterials() const;
112 void ListNistCompoundMaterials() const; 112 void ListNistCompoundMaterials() const;
113 void ListHepMaterials() const; 113 void ListHepMaterials() const;
114 void ListSpaceMaterials() const; 114 void ListSpaceMaterials() const;
115 void ListBioChemicalMaterials() const; 115 void ListBioChemicalMaterials() const;
116 116
117 // access to the list of names of Geant4 pre 117 // access to the list of names of Geant4 predefined materials
118 const std::vector<G4String>& GetMaterialName 118 const std::vector<G4String>& GetMaterialNames() const;
119 119
120 // access to the NIST mean ionisation potent 120 // access to the NIST mean ionisation potentials and nominal densities
121 inline G4double GetMeanIonisationEnergy(G4in 121 inline G4double GetMeanIonisationEnergy(G4int index) const;
122 inline G4double GetNominalDensity(G4int inde 122 inline G4double GetNominalDensity(G4int index) const;
123 123
124 G4bool operator==(const G4NistMaterialBuilde 124 G4bool operator==(const G4NistMaterialBuilder&) const = delete;
125 G4bool operator!=(const G4NistMaterialBuilde 125 G4bool operator!=(const G4NistMaterialBuilder&) const = delete;
126 G4NistMaterialBuilder(const G4NistMaterialBu 126 G4NistMaterialBuilder(const G4NistMaterialBuilder&) = delete;
127 const G4NistMaterialBuilder& operator=(const 127 const G4NistMaterialBuilder& operator=(const G4NistMaterialBuilder&) = delete;
128 128
129 private: 129 private:
130 void Initialise(); 130 void Initialise();
131 void NistSimpleMaterials(); 131 void NistSimpleMaterials();
132 void NistCompoundMaterials(); 132 void NistCompoundMaterials();
133 void NistCompoundMaterials2(); 133 void NistCompoundMaterials2();
134 void HepAndNuclearMaterials(); 134 void HepAndNuclearMaterials();
135 void SpaceMaterials(); 135 void SpaceMaterials();
136 void BioChemicalMaterials(); 136 void BioChemicalMaterials();
137 137
138 // add parameters of material from NIST DB t 138 // add parameters of material from NIST DB to internal vectors
139 // density in g/cm3, mean ionisation potenti 139 // density in g/cm3, mean ionisation potential in eV
140 // 140 //
141 void AddMaterial(const G4String& nameMat, G4 141 void AddMaterial(const G4String& nameMat, G4double dens, G4int Z = 0, G4double pot = 0.0,
142 G4int ncomp = 1, G4State = kStateSolid, G4 142 G4int ncomp = 1, G4State = kStateSolid, G4bool stp = true);
143 143
144 void AddGas(const G4String& nameMat, G4doubl 144 void AddGas(const G4String& nameMat, G4double T, G4double P);
145 145
146 void AddElementByWeightFraction(G4int Z, G4d 146 void AddElementByWeightFraction(G4int Z, G4double);
147 void AddElementByAtomCount(G4int Z, G4int); 147 void AddElementByAtomCount(G4int Z, G4int);
148 148
149 void AddElementByWeightFraction(const G4Stri 149 void AddElementByWeightFraction(const G4String& name, G4double);
150 void AddElementByAtomCount(const G4String& n 150 void AddElementByAtomCount(const G4String& name, G4int);
151 151
152 // build a G4Material from dataBase 152 // build a G4Material from dataBase
153 G4Material* BuildNistMaterial(const G4String 153 G4Material* BuildNistMaterial(const G4String& matname, G4bool warning);
154 G4Material* BuildMaterial(G4int idx); 154 G4Material* BuildMaterial(G4int idx);
155 155
156 void DumpElm(G4int) const; 156 void DumpElm(G4int) const;
157 void DumpMix(G4int) const; 157 void DumpMix(G4int) const;
158 158
159 private: 159 private:
160 G4NistElementBuilder* elmBuilder; 160 G4NistElementBuilder* elmBuilder;
161 161
162 G4int verbose; 162 G4int verbose;
163 G4int nMaterials{0}; 163 G4int nMaterials{0};
164 G4int nComponents{0}; 164 G4int nComponents{0};
165 G4int nCurrent{0}; 165 G4int nCurrent{0};
166 G4int nElementary; 166 G4int nElementary;
167 G4int nNIST; 167 G4int nNIST;
168 G4int nHEP; 168 G4int nHEP;
169 G4int nSpace; 169 G4int nSpace;
170 170
171 std::vector<G4String> names; 171 std::vector<G4String> names;
172 std::vector<G4String> chFormulas; 172 std::vector<G4String> chFormulas;
173 173
174 std::vector<G4double> densities; 174 std::vector<G4double> densities;
175 std::vector<G4double> ionPotentials; 175 std::vector<G4double> ionPotentials;
176 std::vector<G4State> states; 176 std::vector<G4State> states;
177 std::vector<G4double> fractions; 177 std::vector<G4double> fractions;
178 std::vector<G4bool> atomCount; 178 std::vector<G4bool> atomCount;
179 std::vector<G4int> components; 179 std::vector<G4int> components;
180 std::vector<G4int> indexes; 180 std::vector<G4int> indexes;
181 std::vector<G4int> elements; 181 std::vector<G4int> elements;
182 std::vector<G4int> matIndex; 182 std::vector<G4int> matIndex;
183 std::vector<G4bool> STP; 183 std::vector<G4bool> STP;
184 184
185 std::vector<G4int> idxGas; 185 std::vector<G4int> idxGas;
186 std::vector<G4double> gasTemperature; 186 std::vector<G4double> gasTemperature;
187 std::vector<G4double> gasPressure; 187 std::vector<G4double> gasPressure;
188 }; 188 };
189 189
190 inline const std::vector<G4String>& G4NistMate 190 inline const std::vector<G4String>& G4NistMaterialBuilder::GetMaterialNames() const
191 { 191 {
192 return names; 192 return names;
193 } 193 }
194 194
195 inline G4double G4NistMaterialBuilder::GetMean 195 inline G4double G4NistMaterialBuilder::GetMeanIonisationEnergy(G4int index) const
196 { 196 {
197 return (index >= 0 && index < nMaterials) ? 197 return (index >= 0 && index < nMaterials) ? ionPotentials[index] : 10.0 * index;
198 } 198 }
199 199
200 inline G4double G4NistMaterialBuilder::GetNomi 200 inline G4double G4NistMaterialBuilder::GetNominalDensity(G4int index) const
201 { 201 {
202 return (index >= 0 && index < nMaterials) ? 202 return (index >= 0 && index < nMaterials) ? densities[index] : 0.0;
203 } 203 }
204 204
205 inline G4Material* G4NistMaterialBuilder::Find 205 inline G4Material* G4NistMaterialBuilder::FindMaterial(const G4String& name) const
206 { 206 {
207 const G4MaterialTable* theMaterialTable = G4 207 const G4MaterialTable* theMaterialTable = G4Material::GetMaterialTable();
208 G4Material* ptr = nullptr; 208 G4Material* ptr = nullptr;
209 for (auto& mat : *theMaterialTable) { 209 for (auto& mat : *theMaterialTable) {
210 if (name == mat->GetName()) { 210 if (name == mat->GetName()) {
211 ptr = mat; 211 ptr = mat;
212 break; 212 break;
213 } 213 }
214 } 214 }
215 return ptr; 215 return ptr;
216 } 216 }
217 217
218 inline G4Material* G4NistMaterialBuilder::Find 218 inline G4Material* G4NistMaterialBuilder::FindSimpleMaterial(G4int Z) const
219 { 219 {
220 return (Z > 0 && Z < nElementary) ? FindMate 220 return (Z > 0 && Z < nElementary) ? FindMaterial(names[Z]) : nullptr;
221 } 221 }
222 222
223 #endif 223 #endif
224 224