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25 25
26 //-------------------------------------------- 26 //---------------------------------------------------------------------------
27 // 27 //
28 // ClassName: G4Element 28 // ClassName: G4Element
29 // 29 //
30 // Description: Contains element properties 30 // Description: Contains element properties
31 // 31 //
32 // Class description: 32 // Class description:
33 // 33 //
34 // An element is a chemical element either dir 34 // An element is a chemical element either directly defined in terms of
35 // its characteristics: its name, symbol, 35 // its characteristics: its name, symbol,
36 // Z (effective atomic nu 36 // Z (effective atomic number)
37 // N (effective number of 37 // N (effective number of nucleons)
38 // A (effective mass of a 38 // A (effective mass of a mole)
39 // or in terms of a collection of constituent 39 // or in terms of a collection of constituent isotopes with specified
40 // relative abundance (i.e. fraction of nb of 40 // relative abundance (i.e. fraction of nb of atoms per volume).
41 // 41 //
42 // Quantities, with physical meaning or not, w 42 // Quantities, with physical meaning or not, which are constant in a given
43 // element are computed and stored here as Der 43 // element are computed and stored here as Derived data members.
44 // 44 //
45 // The class contains as a private static memb 45 // The class contains as a private static member the table of defined
46 // elements (an ordered vector of elements). 46 // elements (an ordered vector of elements).
47 // 47 //
48 // Elements can be assembled singly or in mixt 48 // Elements can be assembled singly or in mixtures into materials used
49 // in volume definitions via the G4Material cl 49 // in volume definitions via the G4Material class.
50 // 50 //
51 // It is strongly recommended do not delete G4 51 // It is strongly recommended do not delete G4Element instance in the
52 // user code. All G4Elements will be automatic 52 // user code. All G4Elements will be automatically deleted at the end
53 // of Geant4 session 53 // of Geant4 session
54 54
55 // 09-07-96, new data members added by L.Urban 55 // 09-07-96, new data members added by L.Urban
56 // 17-01-97, aesthetic rearrangement, M.Maire 56 // 17-01-97, aesthetic rearrangement, M.Maire
57 // 20-01-97, Tsai formula for the rad length, 57 // 20-01-97, Tsai formula for the rad length, M.Maire
58 // 21-01-97, remove mixture flag, M.Maire 58 // 21-01-97, remove mixture flag, M.Maire
59 // 24-01-97, new data member: fTaul 59 // 24-01-97, new data member: fTaul
60 // new method: ComputeIonisationPara 60 // new method: ComputeIonisationPara, M.Maire
61 // 20-03-97, corrected initialization of point 61 // 20-03-97, corrected initialization of pointers, M.Maire
62 // 27-06-97, new function GetIsotope(int), M.M 62 // 27-06-97, new function GetIsotope(int), M.Maire
63 // 24-02-98, fWeightVector becomes fRelativeAb 63 // 24-02-98, fWeightVector becomes fRelativeAbundanceVector
64 // 27-04-98, atomic shell stuff, V. Grichine 64 // 27-04-98, atomic shell stuff, V. Grichine
65 // 09-07-98, Ionisation parameters removed fro 65 // 09-07-98, Ionisation parameters removed from the class, M.Maire
66 // 04-08-98, new method GetElement(elementName 66 // 04-08-98, new method GetElement(elementName), M.Maire
67 // 16-11-98, Subshell -> Shell, mma 67 // 16-11-98, Subshell -> Shell, mma
68 // 30-03-01, suppression of the warning messag 68 // 30-03-01, suppression of the warning message in GetElement
69 // 17-07-01, migration to STL, M. Verderi 69 // 17-07-01, migration to STL, M. Verderi
70 // 13-09-01, stl migration. Suppression of the 70 // 13-09-01, stl migration. Suppression of the data member fIndexInTable
71 // 14-09-01, fCountUse: nb of materials which 71 // 14-09-01, fCountUse: nb of materials which use this element
72 // 26-02-02, fIndexInTable renewed 72 // 26-02-02, fIndexInTable renewed
73 // 01-04-05, new data member fIndexZ to count 73 // 01-04-05, new data member fIndexZ to count the number of elements with same Z
74 // 17-10-06: Add Get/Set fNaturalAbundance (V. 74 // 17-10-06: Add Get/Set fNaturalAbundance (V.Ivanchenko)
75 // 17.09.09, add fNbOfShellElectrons and metho 75 // 17.09.09, add fNbOfShellElectrons and methods (V. Grichine)
76 76
77 #ifndef G4ELEMENT_HH 77 #ifndef G4ELEMENT_HH
78 #define G4ELEMENT_HH 1 78 #define G4ELEMENT_HH 1
79 79
80 #include "G4ElementTable.hh" 80 #include "G4ElementTable.hh"
81 #include "G4ElementVector.hh" 81 #include "G4ElementVector.hh"
82 #include "G4IonisParamElm.hh" 82 #include "G4IonisParamElm.hh"
83 #include "G4Isotope.hh" 83 #include "G4Isotope.hh"
84 #include "G4IsotopeVector.hh" 84 #include "G4IsotopeVector.hh"
85 #include "G4ios.hh" 85 #include "G4ios.hh"
86 #include "globals.hh" 86 #include "globals.hh"
87 87
88 #include <vector> 88 #include <vector>
89 89
90 class G4Element 90 class G4Element
91 { 91 {
92 public: // with description 92 public: // with description
93 // Constructor to Build an element directly; 93 // Constructor to Build an element directly; no reference to isotopes
94 G4Element(const G4String& name, // its name 94 G4Element(const G4String& name, // its name
95 const G4String& symbol, // its symbol 95 const G4String& symbol, // its symbol
96 G4double Zeff, // atomic number 96 G4double Zeff, // atomic number
97 G4double Aeff); // mass of mole 97 G4double Aeff); // mass of mole
98 98
99 // Constructor to Build an element from isot 99 // Constructor to Build an element from isotopes via AddIsotope
100 G4Element(const G4String& name, // its name 100 G4Element(const G4String& name, // its name
101 const G4String& symbol, // its symbol 101 const G4String& symbol, // its symbol
102 G4int nbIsotopes); // nb of isotopes 102 G4int nbIsotopes); // nb of isotopes
103 103
104 virtual ~G4Element(); 104 virtual ~G4Element();
105 105
106 G4Element(G4Element&) = delete; 106 G4Element(G4Element&) = delete;
107 const G4Element& operator=(const G4Element&) 107 const G4Element& operator=(const G4Element&) = delete;
108 108
109 // Add an isotope to the element 109 // Add an isotope to the element
110 void AddIsotope(G4Isotope* isotope, // isot 110 void AddIsotope(G4Isotope* isotope, // isotope
111 G4double RelativeAbundance); // fraction 111 G4double RelativeAbundance); // fraction of nb of
112 // atomes pe 112 // atomes per volume
113 113
114 // Retrieval methods 114 // Retrieval methods
115 inline const G4String& GetName() const { ret 115 inline const G4String& GetName() const { return fName; }
116 inline const G4String& GetSymbol() const { r 116 inline const G4String& GetSymbol() const { return fSymbol; }
117 117
118 // Atomic number 118 // Atomic number
119 inline G4double GetZ() const { return fZeff; 119 inline G4double GetZ() const { return fZeff; }
120 inline G4int GetZasInt() const { return fZ; 120 inline G4int GetZasInt() const { return fZ; }
121 121
122 // Atomic weight in atomic units 122 // Atomic weight in atomic units
123 inline G4double GetN() const { return fNeff; 123 inline G4double GetN() const { return fNeff; }
124 inline G4double GetAtomicMassAmu() const { r 124 inline G4double GetAtomicMassAmu() const { return fNeff; }
125 125
126 // Mass of a mole in Geant4 units for atoms 126 // Mass of a mole in Geant4 units for atoms with atomic shell
127 inline G4double GetA() const { return fAeff; 127 inline G4double GetA() const { return fAeff; }
128 128
129 inline G4bool GetNaturalAbundanceFlag() cons 129 inline G4bool GetNaturalAbundanceFlag() const;
130 130
131 inline void SetNaturalAbundanceFlag(G4bool); 131 inline void SetNaturalAbundanceFlag(G4bool);
132 132
133 // the number of atomic shells in this eleme 133 // the number of atomic shells in this element:
134 inline G4int GetNbOfAtomicShells() const { r 134 inline G4int GetNbOfAtomicShells() const { return fNbOfAtomicShells; }
135 135
136 // the binding energy of the shell, ground s 136 // the binding energy of the shell, ground shell index=0
137 G4double GetAtomicShell(G4int index) const; 137 G4double GetAtomicShell(G4int index) const;
138 138
139 // the number of electrons at the shell, gro 139 // the number of electrons at the shell, ground shell index=0
140 G4int GetNbOfShellElectrons(G4int index) con 140 G4int GetNbOfShellElectrons(G4int index) const;
141 141
142 // number of isotopes constituing this eleme 142 // number of isotopes constituing this element:
143 inline std::size_t GetNumberOfIsotopes() con << 143 inline size_t GetNumberOfIsotopes() const { return fNumberOfIsotopes; }
144 144
145 // vector of pointers to isotopes constituin 145 // vector of pointers to isotopes constituing this element:
146 inline G4IsotopeVector* GetIsotopeVector() c 146 inline G4IsotopeVector* GetIsotopeVector() const { return theIsotopeVector; }
147 147
148 // vector of relative abundance of each isot 148 // vector of relative abundance of each isotope:
149 inline G4double* GetRelativeAbundanceVector( 149 inline G4double* GetRelativeAbundanceVector() const { return fRelativeAbundanceVector; }
150 150
151 inline const G4Isotope* GetIsotope(G4int iso 151 inline const G4Isotope* GetIsotope(G4int iso) const { return (*theIsotopeVector)[iso]; }
152 152
153 // the (static) Table of Elements: 153 // the (static) Table of Elements:
154 static const G4ElementTable* GetElementTable << 154 static G4ElementTable* GetElementTable();
155 155
156 static std::size_t GetNumberOfElements(); << 156 static size_t GetNumberOfElements();
157 157
158 // the index of this element in the Table: 158 // the index of this element in the Table:
159 inline std::size_t GetIndex() const { return << 159 inline size_t GetIndex() const { return fIndexInTable; }
160 160
161 // return pointer to an element, given its n 161 // return pointer to an element, given its name:
162 static G4Element* GetElement(const G4String& 162 static G4Element* GetElement(const G4String& name, G4bool warning = true);
163 163
164 // Coulomb correction factor: 164 // Coulomb correction factor:
165 inline G4double GetfCoulomb() const { return 165 inline G4double GetfCoulomb() const { return fCoulomb; }
166 166
167 // Tsai formula for the radiation length: 167 // Tsai formula for the radiation length:
168 inline G4double GetfRadTsai() const { return 168 inline G4double GetfRadTsai() const { return fRadTsai; }
169 169
170 // pointer to ionisation parameters: 170 // pointer to ionisation parameters:
171 inline G4IonisParamElm* GetIonisation() cons 171 inline G4IonisParamElm* GetIonisation() const { return fIonisation; }
172 172
173 // printing methods 173 // printing methods
174 friend std::ostream& operator<<(std::ostream 174 friend std::ostream& operator<<(std::ostream&, const G4Element*);
175 friend std::ostream& operator<<(std::ostream 175 friend std::ostream& operator<<(std::ostream&, const G4Element&);
176 friend std::ostream& operator<<(std::ostream 176 friend std::ostream& operator<<(std::ostream&, const G4ElementTable&);
177 friend std::ostream& operator<<(std::ostream 177 friend std::ostream& operator<<(std::ostream&, const G4ElementVector&);
178 178
179 inline void SetName(const G4String& name) { 179 inline void SetName(const G4String& name) { fName = name; }
180 180
181 G4bool operator==(const G4Element&) const = 181 G4bool operator==(const G4Element&) const = delete;
182 G4bool operator!=(const G4Element&) const = 182 G4bool operator!=(const G4Element&) const = delete;
183 183
184 private: 184 private:
185 void InitializePointers(); 185 void InitializePointers();
186 void ComputeDerivedQuantities(); 186 void ComputeDerivedQuantities();
187 void ComputeCoulombFactor(); 187 void ComputeCoulombFactor();
188 void ComputeLradTsaiFactor(); 188 void ComputeLradTsaiFactor();
189 void AddNaturalIsotopes(); 189 void AddNaturalIsotopes();
190 190
191 // Mutable access to the element table. <<
192 static G4ElementTable& GetElementTableRef(); <<
193 <<
194 // Basic data members (which define an Eleme 191 // Basic data members (which define an Element)
195 192
196 G4String fName; // name 193 G4String fName; // name
197 G4String fSymbol; // symbol 194 G4String fSymbol; // symbol
198 G4double fZeff; // Effective atomic number 195 G4double fZeff; // Effective atomic number
199 G4double fNeff; // Effective number of nucl 196 G4double fNeff; // Effective number of nucleons
200 G4double fAeff; // Effective mass of a mole 197 G4double fAeff; // Effective mass of a mole
201 G4int fZ; 198 G4int fZ;
202 199
203 G4int fNbOfAtomicShells; // number of atom 200 G4int fNbOfAtomicShells; // number of atomic shells
204 G4double* fAtomicShells; // Pointer to atom 201 G4double* fAtomicShells; // Pointer to atomic shell binding energies
205 G4int* fNbOfShellElectrons; // Pointer to t 202 G4int* fNbOfShellElectrons; // Pointer to the number of subshell electrons
206 203
207 G4int fNumberOfIsotopes; // Number of isoto 204 G4int fNumberOfIsotopes; // Number of isotopes added to the element
208 G4IsotopeVector* theIsotopeVector; // vecto 205 G4IsotopeVector* theIsotopeVector; // vector of constituent isotopes of the element
209 G4double* fRelativeAbundanceVector; // Frac 206 G4double* fRelativeAbundanceVector; // Fraction nb of atomes per volume
210 // for 207 // for each constituent
211 208
212 // Set up the static Table of Elements 209 // Set up the static Table of Elements
213 std::size_t fIndexInTable; << 210 static G4ElementTable theElementTable;
>> 211 size_t fIndexInTable;
214 G4bool fNaturalAbundance; 212 G4bool fNaturalAbundance;
215 213
216 // Derived data members (computed from the b 214 // Derived data members (computed from the basic data members)
217 215
218 G4double fCoulomb; // Coulomb correction fa 216 G4double fCoulomb; // Coulomb correction factor
219 G4double fRadTsai; // Tsai formula for the 217 G4double fRadTsai; // Tsai formula for the radiation length
220 G4IonisParamElm* fIonisation; // Pointer to 218 G4IonisParamElm* fIonisation; // Pointer to ionisation parameters
221 }; 219 };
222 220
223 inline G4bool G4Element::GetNaturalAbundanceFl 221 inline G4bool G4Element::GetNaturalAbundanceFlag() const { return fNaturalAbundance; }
224 222
225 inline void G4Element::SetNaturalAbundanceFlag 223 inline void G4Element::SetNaturalAbundanceFlag(G4bool val) { fNaturalAbundance = val; }
226 224
227 #endif 225 #endif
228 226