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>> 27 // $Id: G4gsmixt.cc 67982 2013-03-13 10:36:03Z gcosmo $
27 // 28 //
28 // by I.Hrivnacova, 27 Sep 99 29 // by I.Hrivnacova, 27 Sep 99
29 30
30 #include <iomanip> 31 #include <iomanip>
31 #include <iomanip> 32 #include <iomanip>
32 33
33 #include "globals.hh" 34 #include "globals.hh"
34 #include "G4SystemOfUnits.hh" 35 #include "G4SystemOfUnits.hh"
35 36
36 #include "G3toG4.hh" 37 #include "G3toG4.hh"
37 #include "G3EleTable.hh" 38 #include "G3EleTable.hh"
38 #include "G3MatTable.hh" 39 #include "G3MatTable.hh"
39 #include "G4Material.hh" 40 #include "G4Material.hh"
40 #include "G4Isotope.hh" 41 #include "G4Isotope.hh"
41 42
42 void PG4gsmixt(G4String *tokens) 43 void PG4gsmixt(G4String *tokens)
43 { 44 {
44 // fill the parameter containers 45 // fill the parameter containers
45 G3fillParams(tokens,PTgsmixt); 46 G3fillParams(tokens,PTgsmixt);
46 47
47 // interpret the parameters 48 // interpret the parameters
48 G4String name = Spar[0].data(); 49 G4String name = Spar[0].data();
49 G4int imate = Ipar[0]; 50 G4int imate = Ipar[0];
50 G4int nlmat = Ipar[1]; 51 G4int nlmat = Ipar[1];
51 //G4double dens = Rpar[0]*g/cm3; 52 //G4double dens = Rpar[0]*g/cm3;
52 G4double dens = Rpar[0]; 53 G4double dens = Rpar[0];
53 G4double *a = Rpar + 1; 54 G4double *a = Rpar + 1;
54 G4double *z = Rpar + 1+std::abs(nlmat); 55 G4double *z = Rpar + 1+std::abs(nlmat);
55 G4double *wmat = Rpar + 1 + 2*std::abs(nlm 56 G4double *wmat = Rpar + 1 + 2*std::abs(nlmat);
56 /* 57 /*
57 for (int i=0; i<std::abs(nlmat); i++){ 58 for (int i=0; i<std::abs(nlmat); i++){
58 //Rpar[i]=Rpar[i]*g/mole; 59 //Rpar[i]=Rpar[i]*g/mole;
59 Rpar[i]=Rpar[i]; 60 Rpar[i]=Rpar[i];
60 }; 61 };
61 */ 62 */
62 G4gsmixt(imate,name,a,z,dens,nlmat,wmat); 63 G4gsmixt(imate,name,a,z,dens,nlmat,wmat);
63 } 64 }
64 65
65 // replaced with G3EleTable 66 // replaced with G3EleTable
66 // only used G4Elements are created; 67 // only used G4Elements are created;
67 // !! no checking of given A of the element; 68 // !! no checking of given A of the element;
68 // 69 //
69 // extern G4Element* CreateElement(G4double ze 70 // extern G4Element* CreateElement(G4double zeff, G4double aeff, G4String matName);
70 71
71 72
72 void G4gsmixt(G4int imate, G4String name, G4do 73 void G4gsmixt(G4int imate, G4String name, G4double* a, G4double* z,
73 G4double dens, G4int nlmat, G4do 74 G4double dens, G4int nlmat, G4double* wmat)
74 { 75 {
75 // in Geant3: 76 // in Geant3:
76 // After a call with ratios by number (negat 77 // After a call with ratios by number (negative number of elements),
77 // the ratio array is changed to the ratio b 78 // the ratio array is changed to the ratio by weight, so all successive
78 // calls with the same array must specify th 79 // calls with the same array must specify the number of elements as
79 // positive 80 // positive
80 G4int i=0; 81 G4int i=0;
81 if (nlmat<0) { 82 if (nlmat<0) {
82 // in case of proportions given in atom co 83 // in case of proportions given in atom counts (nlmat<0),
83 // the wmat[i] are converted to weight fra 84 // the wmat[i] are converted to weight fractions
84 G4double aMol = 0.; 85 G4double aMol = 0.;
85 for (i=0; i<std::abs(nlmat); i++) { 86 for (i=0; i<std::abs(nlmat); i++) {
86 // total molecular weight 87 // total molecular weight
87 aMol += wmat[i]*a[i]; 88 aMol += wmat[i]*a[i];
88 } 89 }
89 if (aMol == 0.) { 90 if (aMol == 0.) {
90 G4String text = "G4mixt: Total molecular 91 G4String text = "G4mixt: Total molecular weight in " + name + " = 0.";
91 G4Exception("G4gsmixt()", "G3toG40016", 92 G4Exception("G4gsmixt()", "G3toG40016", FatalException, text);
92 return; 93 return;
93 } 94 }
94 for (i=0; i<std::abs(nlmat); i++) { 95 for (i=0; i<std::abs(nlmat); i++) {
95 // weight fractions 96 // weight fractions
96 wmat[i] = wmat[i]*a[i]/aMol; 97 wmat[i] = wmat[i]*a[i]/aMol;
97 } 98 }
98 } 99 }
99 100
100 // create material with given number of comp 101 // create material with given number of components
101 // (elements) 102 // (elements)
102 103
103 G4Material* material 104 G4Material* material
104 = new G4Material(name, dens*g/cm3, std::ab 105 = new G4Material(name, dens*g/cm3, std::abs(nlmat));
105 for (i=0; i<std::abs(nlmat); i++) { 106 for (i=0; i<std::abs(nlmat); i++) {
106 // add units 107 // add units
107 // G4Element* element = G4Element(z[i], a[ 108 // G4Element* element = G4Element(z[i], a[i]*g/mole, name);
108 G4Element* element = G3Ele.GetEle(z[i]); 109 G4Element* element = G3Ele.GetEle(z[i]);
109 material->AddElement(element, wmat[i]); 110 material->AddElement(element, wmat[i]);
110 } 111 }
111 112
112 // add the material to the List 113 // add the material to the List
113 G3Mat.put(imate, material); 114 G3Mat.put(imate, material);
114 } 115 }
115 116
116 /* 117 /*
117 void G4gsmixt(G4int imate, G4String name, G4do 118 void G4gsmixt(G4int imate, G4String name, G4double a[], G4double z[],
118 G4double dens, G4int nlmat, G4do 119 G4double dens, G4int nlmat, G4double wmat[]){
119 G4int nmate = std::abs(nlmat); 120 G4int nmate = std::abs(nlmat);
120 G4String sname = name.strip(G4String::both); 121 G4String sname = name.strip(G4String::both);
121 G4double theDensity = dens*g/cm3; 122 G4double theDensity = dens*g/cm3;
122 123
123 G4Material* theMixture = new G4Material(name 124 G4Material* theMixture = new G4Material(name, dens, nmate);
124 G4bool ok=true; 125 G4bool ok=true;
125 for (int i=0; i< nmate; i++){ 126 for (int i=0; i< nmate; i++){
126 G4Element* theElement = G3Ele.GetEle(z[i]) 127 G4Element* theElement = G3Ele.GetEle(z[i]);
127 if (nlmat>0) { 128 if (nlmat>0) {
128 G4double fractionmass = wmat[i]; 129 G4double fractionmass = wmat[i];
129 ok = ok && std::abs(fractionmass)<=1.; 130 ok = ok && std::abs(fractionmass)<=1.;
130 theMixture->AddElement(theElement, fract 131 theMixture->AddElement(theElement, fractionmass);
131 } else if (nlmat<0) { 132 } else if (nlmat<0) {
132 G4int natoms = wmat[i]; 133 G4int natoms = wmat[i];
133 ok = ok && wmat[i] == natoms; 134 ok = ok && wmat[i] == natoms;
134 theMixture->AddElement(theElement, natom 135 theMixture->AddElement(theElement, natoms);
135 } else { 136 } else {
136 ok=false; 137 ok=false;
137 } 138 }
138 } 139 }
139 if (ok) { 140 if (ok) {
140 G3Mat.put(imate, theMixture); 141 G3Mat.put(imate, theMixture);
141 } else { 142 } else {
142 if (nlmat>0) { 143 if (nlmat>0) {
143 G4cerr << "G4gsmixt: for mixture '" << n 144 G4cerr << "G4gsmixt: for mixture '" << name
144 << "' some |weights|>1 : " << G4endl; 145 << "' some |weights|>1 : " << G4endl;
145 for (G4int i=0;i<nlmat; i++) { 146 for (G4int i=0;i<nlmat; i++) {
146 G4cerr << "Component " << std::setw(3) << i+ 147 G4cerr << "Component " << std::setw(3) << i+1 << " fraction: "
147 << std::setw(10) << wmat[i] << G4endl 148 << std::setw(10) << wmat[i] << G4endl;
148 } 149 }
149 } else if (nlmat<0) { 150 } else if (nlmat<0) {
150 G4cerr << "G4gsmixt: for mixture '" << n 151 G4cerr << "G4gsmixt: for mixture '" << name
151 << "' some #natoms are non-integer: " < 152 << "' some #natoms are non-integer: " << G4endl;
152 for (G4int i=0;i<nlmat; i++) { 153 for (G4int i=0;i<nlmat; i++) {
153 G4cerr << "Component " << std::setw(3) << i+ 154 G4cerr << "Component " << std::setw(3) << i+1 << " #atoms "
154 << std::setw(10) << wmat[i] << G4endl 155 << std::setw(10) << wmat[i] << G4endl;
155 } 156 }
156 } else { 157 } else {
157 G4cerr << "G4gsmixt: Number of component 158 G4cerr << "G4gsmixt: Number of components for mixture '"
158 << name << "' (" << nlmat << ") not all 159 << name << "' (" << nlmat << ") not allowed." << G4endl;
159 } 160 }
160 } 161 }
161 } 162 }
162 */ 163 */
163 164
164 165
165 166
166 167