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25 // 25 //
26 // G4PhysicsVector class implementation <<
27 // 26 //
28 // Authors: << 27 // $Id: G4PhysicsVector.cc 93409 2015-10-21 13:26:27Z gcosmo $
29 // - 02 Dec. 1995, G.Cosmo: Structure created << 28 //
30 // - 03 Mar. 1996, K.Amako: Implemented the 1s << 29 //
31 // Revisions: << 30 // --------------------------------------------------------------
32 // - 11 Nov. 2000, H.Kurashige: Use STL vector << 31 // GEANT 4 class implementation file
33 // ------------------------------------------- << 32 //
>> 33 // G4PhysicsVector.cc
>> 34 //
>> 35 // History:
>> 36 // 02 Dec. 1995, G.Cosmo : Structure created based on object model
>> 37 // 03 Mar. 1996, K.Amako : Implemented the 1st version
>> 38 // 01 Jul. 1996, K.Amako : Hidden bin from the user introduced
>> 39 // 12 Nov. 1998, K.Amako : A bug in GetVectorLength() fixed
>> 40 // 11 Nov. 2000, H.Kurashige : use STL vector for dataVector and binVector
>> 41 // 18 Jan. 2001, H.Kurashige : removed ptrNextTable
>> 42 // 09 Mar. 2001, H.Kurashige : added G4PhysicsVector type
>> 43 // 05 Sep. 2008, V.Ivanchenko : added protections for zero-length vector
>> 44 // 11 May 2009, A.Bagulya : added new implementation of methods
>> 45 // ComputeSecondDerivatives - first derivatives at edge points
>> 46 // should be provided by a user
>> 47 // FillSecondDerivatives - default computation base on "not-a-knot"
>> 48 // algorithm
>> 49 // 19 Jun. 2009, V.Ivanchenko : removed hidden bin
>> 50 // 17 Nov. 2009, H.Kurashige : use pointer for DataVector
>> 51 // 04 May 2010 H.Kurashige : use G4PhyscisVectorCache
>> 52 // 28 May 2010 H.Kurashige : Stop using pointers to G4PVDataVector
>> 53 // 16 Aug. 2011 H.Kurashige : Add dBin, baseBin and verboseLevel
>> 54 // --------------------------------------------------------------
34 55
35 #include "G4PhysicsVector.hh" <<
36 #include <iomanip> 56 #include <iomanip>
>> 57 #include "G4PhysicsVector.hh"
37 58
38 // ------------------------------------------- 59 // --------------------------------------------------------------
39 G4PhysicsVector::G4PhysicsVector(G4bool val) <<
40 : useSpline(val) <<
41 {} <<
42 60
43 // ------------------------------------------- << 61 G4PhysicsVector::G4PhysicsVector(G4bool)
44 void G4PhysicsVector::Initialise() << 62 : type(T_G4PhysicsVector),
>> 63 edgeMin(0.), edgeMax(0.), numberOfNodes(0),
>> 64 useSpline(false),
>> 65 dBin(0.), baseBin(0.),
>> 66 verboseLevel(0)
45 { 67 {
46 if (1 < numberOfNodes) << 68 }
47 { << 69
48 idxmax = numberOfNodes - 2; << 70 // --------------------------------------------------------------
49 edgeMin = binVector[0]; << 71
50 edgeMax = binVector[idxmax + 1]; << 72 G4PhysicsVector::~G4PhysicsVector()
>> 73 {
>> 74 }
>> 75
>> 76 // --------------------------------------------------------------
>> 77
>> 78 G4PhysicsVector::G4PhysicsVector(const G4PhysicsVector& right)
>> 79 {
>> 80 dBin = right.dBin;
>> 81 baseBin = right.baseBin;
>> 82 verboseLevel = right.verboseLevel;
>> 83
>> 84 DeleteData();
>> 85 CopyData(right);
>> 86 }
>> 87
>> 88 // --------------------------------------------------------------
>> 89
>> 90 G4PhysicsVector& G4PhysicsVector::operator=(const G4PhysicsVector& right)
>> 91 {
>> 92 if (&right==this) { return *this; }
>> 93 dBin = right.dBin;
>> 94 baseBin = right.baseBin;
>> 95 verboseLevel = right.verboseLevel;
>> 96
>> 97 DeleteData();
>> 98 CopyData(right);
>> 99 return *this;
>> 100 }
>> 101
>> 102 // --------------------------------------------------------------
>> 103
>> 104 G4int G4PhysicsVector::operator==(const G4PhysicsVector &right) const
>> 105 {
>> 106 return (this == &right);
>> 107 }
>> 108
>> 109 // --------------------------------------------------------------
>> 110
>> 111 G4int G4PhysicsVector::operator!=(const G4PhysicsVector &right) const
>> 112 {
>> 113 return (this != &right);
>> 114 }
>> 115
>> 116 // --------------------------------------------------------------
>> 117
>> 118 void G4PhysicsVector::DeleteData()
>> 119 {
>> 120 useSpline = false;
>> 121 secDerivative.clear();
>> 122 }
>> 123
>> 124 // --------------------------------------------------------------
>> 125
>> 126 void G4PhysicsVector::CopyData(const G4PhysicsVector& vec)
>> 127 {
>> 128 type = vec.type;
>> 129 edgeMin = vec.edgeMin;
>> 130 edgeMax = vec.edgeMax;
>> 131 numberOfNodes = vec.numberOfNodes;
>> 132 useSpline = vec.useSpline;
>> 133
>> 134 size_t i;
>> 135 dataVector.resize(numberOfNodes);
>> 136 for(i=0; i<numberOfNodes; ++i) {
>> 137 dataVector[i] = (vec.dataVector)[i];
>> 138 }
>> 139 binVector.resize(numberOfNodes);
>> 140 for(i=0; i<numberOfNodes; ++i) {
>> 141 binVector[i] = (vec.binVector)[i];
>> 142 }
>> 143 if(0 < (vec.secDerivative).size()) {
>> 144 secDerivative.resize(numberOfNodes);
>> 145 for(i=0; i<numberOfNodes; ++i){
>> 146 secDerivative[i] = (vec.secDerivative)[i];
>> 147 }
51 } 148 }
52 } 149 }
53 150
54 // ------------------------------------------- 151 // --------------------------------------------------------------
55 G4bool G4PhysicsVector::Store(std::ofstream& f << 152
>> 153 G4double G4PhysicsVector::GetLowEdgeEnergy(size_t binNumber) const
>> 154 {
>> 155 return binVector[binNumber];
>> 156 }
>> 157
>> 158 // --------------------------------------------------------------
>> 159
>> 160 G4bool G4PhysicsVector::Store(std::ofstream& fOut, G4bool ascii)
56 { 161 {
57 // Ascii mode 162 // Ascii mode
58 if (ascii) 163 if (ascii)
59 { 164 {
60 fOut << *this; 165 fOut << *this;
61 return true; 166 return true;
62 } << 167 }
63 // Binary Mode 168 // Binary Mode
64 169
65 // binning 170 // binning
66 fOut.write((char*) (&edgeMin), sizeof edgeMi << 171 fOut.write((char*)(&edgeMin), sizeof edgeMin);
67 fOut.write((char*) (&edgeMax), sizeof edgeMa << 172 fOut.write((char*)(&edgeMax), sizeof edgeMax);
68 fOut.write((char*) (&numberOfNodes), sizeof << 173 fOut.write((char*)(&numberOfNodes), sizeof numberOfNodes);
69 174
70 // contents 175 // contents
71 std::size_t size = dataVector.size(); << 176 size_t size = dataVector.size();
72 fOut.write((char*) (&size), sizeof size); << 177 fOut.write((char*)(&size), sizeof size);
73 178
74 auto value = new G4double[2 * size]; << 179 G4double* value = new G4double[2*size];
75 for (std::size_t i = 0; i < size; ++i) << 180 for(size_t i = 0; i < size; ++i)
76 { 181 {
77 value[2 * i] = binVector[i]; << 182 value[2*i] = binVector[i];
78 value[2 * i + 1] = dataVector[i]; << 183 value[2*i+1]= dataVector[i];
79 } 184 }
80 fOut.write((char*) (value), 2 * size * (size << 185 fOut.write((char*)(value), 2*size*(sizeof (G4double)));
81 delete[] value; << 186 delete [] value;
82 187
83 return true; 188 return true;
84 } 189 }
85 190
86 // ------------------------------------------- 191 // --------------------------------------------------------------
>> 192
87 G4bool G4PhysicsVector::Retrieve(std::ifstream 193 G4bool G4PhysicsVector::Retrieve(std::ifstream& fIn, G4bool ascii)
88 { 194 {
89 // clear properties; 195 // clear properties;
90 dataVector.clear(); 196 dataVector.clear();
91 binVector.clear(); 197 binVector.clear();
92 secDerivative.clear(); 198 secDerivative.clear();
93 199
94 // retrieve in ascii mode 200 // retrieve in ascii mode
95 if (ascii) << 201 if (ascii){
96 { <<
97 // binning 202 // binning
98 fIn >> edgeMin >> edgeMax >> numberOfNodes << 203 fIn >> edgeMin >> edgeMax >> numberOfNodes;
99 if (fIn.fail() || numberOfNodes < 2) << 204 if (fIn.fail()) { return false; }
100 { <<
101 return false; <<
102 } <<
103 // contents 205 // contents
104 G4int siz0 = 0; << 206 G4int siz=0;
105 fIn >> siz0; << 207 fIn >> siz;
106 if (siz0 < 2) { return false; } << 208 if (fIn.fail()) { return false; }
107 auto siz = static_cast<std::size_t>(siz0); << 209 if (siz<=0)
108 if (fIn.fail() || siz != numberOfNodes) <<
109 { 210 {
>> 211 #ifdef G4VERBOSE
>> 212 G4cerr << "G4PhysicsVector::Retrieve():";
>> 213 G4cerr << " Invalid vector size: " << siz << G4endl;
>> 214 #endif
110 return false; 215 return false;
111 } 216 }
112 217
113 binVector.reserve(siz); 218 binVector.reserve(siz);
114 dataVector.reserve(siz); 219 dataVector.reserve(siz);
115 G4double vBin, vData; 220 G4double vBin, vData;
116 221
117 for (std::size_t i = 0; i < siz; ++i) << 222 for(G4int i = 0; i < siz ; i++)
118 { 223 {
119 vBin = 0.; << 224 vBin = 0.;
120 vData = 0.; << 225 vData= 0.;
121 fIn >> vBin >> vData; 226 fIn >> vBin >> vData;
122 if (fIn.fail()) << 227 if (fIn.fail()) { return false; }
123 { <<
124 return false; <<
125 } <<
126 binVector.push_back(vBin); 228 binVector.push_back(vBin);
127 dataVector.push_back(vData); 229 dataVector.push_back(vData);
128 } 230 }
129 Initialise(); << 231
130 return true; << 232 // to remove any inconsistency
>> 233 numberOfNodes = siz;
>> 234 edgeMin = binVector[0];
>> 235 edgeMax = binVector[numberOfNodes-1];
>> 236 return true ;
131 } 237 }
132 238
133 // retrieve in binary mode 239 // retrieve in binary mode
134 // binning 240 // binning
135 fIn.read((char*) (&edgeMin), sizeof edgeMin) << 241 fIn.read((char*)(&edgeMin), sizeof edgeMin);
136 fIn.read((char*) (&edgeMax), sizeof edgeMax) << 242 fIn.read((char*)(&edgeMax), sizeof edgeMax);
137 fIn.read((char*) (&numberOfNodes), sizeof nu << 243 fIn.read((char*)(&numberOfNodes), sizeof numberOfNodes );
138 << 244
139 // contents 245 // contents
140 std::size_t size; << 246 size_t size;
141 fIn.read((char*) (&size), sizeof size); << 247 fIn.read((char*)(&size), sizeof size);
142 << 248
143 auto value = new G4double[2 * size]; << 249 G4double* value = new G4double[2*size];
144 fIn.read((char*) (value), 2 * size * (sizeof << 250 fIn.read((char*)(value), 2*size*(sizeof(G4double)) );
145 if (static_cast<G4int>(fIn.gcount()) != stat << 251 if (G4int(fIn.gcount()) != G4int(2*size*(sizeof(G4double))) )
146 { 252 {
147 delete[] value; << 253 delete [] value;
148 return false; 254 return false;
149 } 255 }
150 256
151 binVector.reserve(size); 257 binVector.reserve(size);
152 dataVector.reserve(size); 258 dataVector.reserve(size);
153 for (std::size_t i = 0; i < size; ++i) << 259 for(size_t i = 0; i < size; ++i)
154 { 260 {
155 binVector.push_back(value[2 * i]); << 261 binVector.push_back(value[2*i]);
156 dataVector.push_back(value[2 * i + 1]); << 262 dataVector.push_back(value[2*i+1]);
157 } 263 }
158 delete[] value; << 264 delete [] value;
>> 265
>> 266 // to remove any inconsistency
>> 267 numberOfNodes = size;
>> 268 edgeMin = binVector[0];
>> 269 edgeMax = binVector[numberOfNodes-1];
159 270
160 Initialise(); <<
161 return true; 271 return true;
162 } 272 }
163 273
164 // ------------------------------------------- 274 // --------------------------------------------------------------
165 void G4PhysicsVector::DumpValues(G4double unit <<
166 { <<
167 for (std::size_t i = 0; i < numberOfNodes; + <<
168 { <<
169 G4cout << binVector[i] / unitE << " " << <<
170 << G4endl; <<
171 } <<
172 } <<
173 275
174 // ------------------------------------------- << 276 void
175 std::size_t G4PhysicsVector::FindBin(const G4d << 277 G4PhysicsVector::ScaleVector(G4double factorE, G4double factorV)
176 std::size <<
177 { 278 {
178 if (idx + 1 < numberOfNodes && << 279 size_t n = dataVector.size();
179 energy >= binVector[idx] && energy <= bi << 280 size_t i;
180 { << 281 for(i=0; i<n; ++i) {
181 return idx; << 282 binVector[i] *= factorE;
182 } << 283 dataVector[i] *= factorV;
183 if (energy <= binVector[1]) <<
184 { <<
185 return 0; <<
186 } <<
187 if (energy >= binVector[idxmax]) <<
188 { <<
189 return idxmax; <<
190 } 284 }
191 return GetBin(energy); << 285 secDerivative.clear();
192 } <<
193 286
194 // ------------------------------------------- << 287 edgeMin *= factorE;
195 void G4PhysicsVector::ScaleVector(const G4doub << 288 edgeMax *= factorE;
196 const G4doub <<
197 { <<
198 for (std::size_t i = 0; i < numberOfNodes; + <<
199 { <<
200 binVector[i] *= factorE; <<
201 dataVector[i] *= factorV; <<
202 } <<
203 Initialise(); <<
204 } 289 }
205 290
206 // ------------------------------------------- << 291 // --------------------------------------------------------------
207 void G4PhysicsVector::FillSecondDerivatives(co << 292
208 const G4double dir1, << 293 void
209 const G4double dir2) << 294 G4PhysicsVector::ComputeSecondDerivatives(G4double firstPointDerivative,
>> 295 G4double endPointDerivative)
>> 296 // A standard method of computation of second derivatives
>> 297 // First derivatives at the first and the last point should be provided
>> 298 // See for example W.H. Press et al. "Numerical recipes in C"
>> 299 // Cambridge University Press, 1997.
210 { 300 {
211 if (!useSpline) { return; } << 301 if(4 > numberOfNodes) // cannot compute derivatives for less than 4 bins
212 // cannot compute derivatives for less than <<
213 const std::size_t nmin = (stype == G4SplineT <<
214 if (nmin > numberOfNodes) <<
215 { 302 {
216 if (0 < verboseLevel) << 303 ComputeSecDerivatives();
217 { <<
218 G4cout << "### G4PhysicsVector: spline c <<
219 << numberOfNodes << " points - spline d <<
220 << G4endl; <<
221 DumpValues(); <<
222 } <<
223 useSpline = false; <<
224 return; 304 return;
225 } 305 }
226 // check energies of free vector <<
227 if (type == T_G4PhysicsFreeVector) <<
228 { <<
229 for (std::size_t i=0; i<=idxmax; ++i) <<
230 { <<
231 if (binVector[i + 1] <= binVector[i]) <<
232 { <<
233 if (0 < verboseLevel) <<
234 { <<
235 G4cout << "### G4PhysicsVector: spline can <<
236 << " E[" << i << "]=" << binVector[i] <<
237 << " >= E[" << i+1 << "]=" << binVector[i <<
238 << G4endl; <<
239 DumpValues(); <<
240 } <<
241 useSpline = false; <<
242 return; <<
243 } <<
244 } <<
245 } <<
246 306
247 // spline is possible << 307 if(!SplinePossible()) { return; }
248 Initialise(); <<
249 secDerivative.resize(numberOfNodes); <<
250 308
251 if (1 < verboseLevel) << 309 useSpline = true;
252 { <<
253 G4cout << "### G4PhysicsVector:: FillSecon <<
254 << numberOfNodes << G4endl; <<
255 DumpValues(); <<
256 } <<
257 310
258 switch(stype) << 311 G4int n = numberOfNodes-1;
259 { <<
260 case G4SplineType::Base: <<
261 ComputeSecDerivative1(); <<
262 break; <<
263 312
264 case G4SplineType::FixedEdges: << 313 G4double* u = new G4double [n];
265 ComputeSecDerivative2(dir1, dir2); << 314
266 break; << 315 G4double p, sig, un;
267 316
268 default: << 317 u[0] = (6.0/(binVector[1]-binVector[0]))
269 ComputeSecDerivative0(); << 318 * ((dataVector[1]-dataVector[0])/(binVector[1]-binVector[0])
270 } << 319 - firstPointDerivative);
271 } << 320
>> 321 secDerivative[0] = - 0.5;
272 322
273 // ------------------------------------------- << 323 // Decomposition loop for tridiagonal algorithm. secDerivative[i]
274 void G4PhysicsVector::ComputeSecDerivative0() << 324 // and u[i] are used for temporary storage of the decomposed factors.
275 // A simplified method of computation of seco <<
276 { <<
277 std::size_t n = numberOfNodes - 1; <<
278 325
279 for (std::size_t i = 1; i < n; ++i) << 326 for(G4int i=1; i<n; ++i)
280 { 327 {
281 secDerivative[i] = 3.0 * << 328 sig = (binVector[i]-binVector[i-1]) / (binVector[i+1]-binVector[i-1]);
282 ((dataVector[i + 1] - dataVector[i]) / ( << 329 p = sig*(secDerivative[i-1]) + 2.0;
283 (dataVector[i] - dataVector[i - 1]) / << 330 secDerivative[i] = (sig - 1.0)/p;
284 (binVector[i] - binVector[i - 1])) / << 331 u[i] = (dataVector[i+1]-dataVector[i])/(binVector[i+1]-binVector[i])
285 (binVector[i + 1] - binVector[i - 1]); << 332 - (dataVector[i]-dataVector[i-1])/(binVector[i]-binVector[i-1]);
>> 333 u[i] = 6.0*u[i]/(binVector[i+1]-binVector[i-1]) - sig*u[i-1]/p;
>> 334 }
>> 335
>> 336 sig = (binVector[n-1]-binVector[n-2]) / (binVector[n]-binVector[n-2]);
>> 337 p = sig*secDerivative[n-2] + 2.0;
>> 338 un = (6.0/(binVector[n]-binVector[n-1]))
>> 339 *(endPointDerivative -
>> 340 (dataVector[n]-dataVector[n-1])/(binVector[n]-binVector[n-1])) - u[n-1]/p;
>> 341 secDerivative[n] = un/(secDerivative[n-1] + 2.0);
>> 342
>> 343 // The back-substitution loop for the triagonal algorithm of solving
>> 344 // a linear system of equations.
>> 345
>> 346 for(G4int k=n-1; k>0; --k)
>> 347 {
>> 348 secDerivative[k] *=
>> 349 (secDerivative[k+1] -
>> 350 u[k]*(binVector[k+1]-binVector[k-1])/(binVector[k+1]-binVector[k]));
286 } 351 }
287 secDerivative[n] = secDerivative[n - 1]; << 352 secDerivative[0] = 0.5*(u[0] - secDerivative[1]);
288 secDerivative[0] = secDerivative[1]; << 353
>> 354 delete [] u;
289 } 355 }
290 356
291 // ------------------------------------------- 357 // --------------------------------------------------------------
292 void G4PhysicsVector::ComputeSecDerivative1() << 358
293 // Computation of second derivatives using "No << 359 void G4PhysicsVector::FillSecondDerivatives()
294 // B.I. Kvasov "Methods of shape-preserving sp << 360 // Computation of second derivatives using "Not-a-knot" endpoint conditions
295 // World Scientific, 2000 << 361 // B.I. Kvasov "Methods of shape-preserving spline approximation"
>> 362 // World Scientific, 2000
296 { 363 {
297 std::size_t n = numberOfNodes - 1; << 364 if(5 > numberOfNodes) // cannot compute derivatives for less than 4 points
298 auto u = new G4double[n]; << 365 {
299 G4double p, sig; << 366 ComputeSecDerivatives();
>> 367 return;
>> 368 }
>> 369
>> 370 if(!SplinePossible()) { return; }
300 371
301 u[1] = ((dataVector[2] - dataVector[1]) / (b << 372 useSpline = true;
302 (dataVector[1] - dataVector[0]) / (b << 373
303 u[1] = 6.0 * u[1] * (binVector[2] - binVecto << 374 G4int n = numberOfNodes-1;
304 ((binVector[2] - binVector[0]) * (bin << 375
>> 376 G4double* u = new G4double [n];
>> 377
>> 378 G4double p, sig;
305 379
>> 380 u[1] = ((dataVector[2]-dataVector[1])/(binVector[2]-binVector[1]) -
>> 381 (dataVector[1]-dataVector[0])/(binVector[1]-binVector[0]));
>> 382 u[1] = 6.0*u[1]*(binVector[2]-binVector[1])
>> 383 / ((binVector[2]-binVector[0])*(binVector[2]-binVector[0]));
>> 384
306 // Decomposition loop for tridiagonal algori 385 // Decomposition loop for tridiagonal algorithm. secDerivative[i]
307 // and u[i] are used for temporary storage o 386 // and u[i] are used for temporary storage of the decomposed factors.
308 387
309 secDerivative[1] = (2.0 * binVector[1] - bin << 388 secDerivative[1] = (2.0*binVector[1]-binVector[0]-binVector[2])
310 (2.0 * binVector[2] - bin << 389 / (2.0*binVector[2]-binVector[0]-binVector[1]);
311 390
312 for(std::size_t i = 2; i < n - 1; ++i) << 391 for(G4int i=2; i<n-1; ++i)
313 { 392 {
314 sig = << 393 sig = (binVector[i]-binVector[i-1]) / (binVector[i+1]-binVector[i-1]);
315 (binVector[i] - binVector[i - 1]) / (bin << 394 p = sig*secDerivative[i-1] + 2.0;
316 p = sig * secDerivative[i - << 395 secDerivative[i] = (sig - 1.0)/p;
317 secDerivative[i] = (sig - 1.0) / p; << 396 u[i] = (dataVector[i+1]-dataVector[i])/(binVector[i+1]-binVector[i])
318 u[i] = << 397 - (dataVector[i]-dataVector[i-1])/(binVector[i]-binVector[i-1]);
319 (dataVector[i + 1] - dataVector[i]) / (b << 398 u[i] = (6.0*u[i]/(binVector[i+1]-binVector[i-1])) - sig*u[i-1]/p;
320 (dataVector[i] - dataVector[i - 1]) / (b << 399 }
321 u[i] = << 400
322 (6.0 * u[i] / (binVector[i + 1] - binVec << 401 sig = (binVector[n-1]-binVector[n-2]) / (binVector[n]-binVector[n-2]);
323 } << 402 p = sig*secDerivative[n-3] + 2.0;
324 << 403 u[n-1] = (dataVector[n]-dataVector[n-1])/(binVector[n]-binVector[n-1])
325 sig = << 404 - (dataVector[n-1]-dataVector[n-2])/(binVector[n-1]-binVector[n-2]);
326 (binVector[n - 1] - binVector[n - 2]) / (b << 405 u[n-1] = 6.0*sig*u[n-1]/(binVector[n]-binVector[n-2])
327 p = sig * secDerivative[n - 3] + 2.0; << 406 - (2.0*sig - 1.0)*u[n-2]/p;
328 u[n - 1] = <<
329 (dataVector[n] - dataVector[n - 1]) / (bin <<
330 (dataVector[n - 1] - dataVector[n - 2]) / <<
331 (binVector[n - 1] - binVector[n - 2]); <<
332 u[n - 1] = 6.0 * sig * u[n - 1] / (binVector <<
333 (2.0 * sig - 1.0) * u[n - 2] / p; <<
334 407
335 p = (1.0 + sig) + (2.0 * sig - 1.0) * secDer << 408 p = (1.0+sig) + (2.0*sig-1.0)*secDerivative[n-2];
336 secDerivative[n - 1] = u[n - 1] / p; << 409 secDerivative[n-1] = u[n-1]/p;
337 410
338 // The back-substitution loop for the triago 411 // The back-substitution loop for the triagonal algorithm of solving
339 // a linear system of equations. 412 // a linear system of equations.
340 << 413
341 for (std::size_t k = n - 2; k > 1; --k) << 414 for(G4int k=n-2; k>1; --k)
342 { 415 {
343 secDerivative[k] *= << 416 secDerivative[k] *=
344 (secDerivative[k + 1] - u[k] * (binVecto << 417 (secDerivative[k+1] -
345 (binVector[k + << 418 u[k]*(binVector[k+1]-binVector[k-1])/(binVector[k+1]-binVector[k]));
346 } << 419 }
347 secDerivative[n] = << 420 secDerivative[n] = (secDerivative[n-1] - (1.0-sig)*secDerivative[n-2])/sig;
348 (secDerivative[n - 1] - (1.0 - sig) * secD << 421 sig = 1.0 - ((binVector[2]-binVector[1])/(binVector[2]-binVector[0]));
349 sig = 1.0 - ((binVector[2] - binVector[1]) / << 422 secDerivative[1] *= (secDerivative[2] - u[1]/(1.0-sig));
350 secDerivative[1] *= (secDerivative[2] - u[1] << 423 secDerivative[0] = (secDerivative[1] - sig*secDerivative[2])/(1.0-sig);
351 secDerivative[0] = (secDerivative[1] - sig * <<
352 424
353 delete[] u; << 425 delete [] u;
354 } 426 }
355 427
356 // ------------------------------------------- 428 // --------------------------------------------------------------
357 void G4PhysicsVector::ComputeSecDerivative2(G4 << 429
358 G4 << 430 void
359 // A standard method of computation of second << 431 G4PhysicsVector::ComputeSecDerivatives()
360 // First derivatives at the first and the last << 432 // A simplified method of computation of second derivatives
361 // See for example W.H. Press et al. "Numerica <<
362 // Cambridge University Press, 1997. <<
363 { 433 {
364 std::size_t n = numberOfNodes - 1; << 434 if(3 > numberOfNodes) // cannot compute derivatives for less than 4 bins
365 auto u = new G4double[n]; << 435 {
366 G4double p, sig, un; << 436 useSpline = false;
>> 437 return;
>> 438 }
367 439
368 u[0] = (6.0 / (binVector[1] - binVector[0])) << 440 if(!SplinePossible()) { return; }
369 ((dataVector[1] - dataVector[0]) / (b <<
370 firstPointDerivative); <<
371 441
372 secDerivative[0] = -0.5; << 442 useSpline = true;
373 443
374 // Decomposition loop for tridiagonal algori << 444 size_t n = numberOfNodes-1;
375 // and u[i] are used for temporary storage o <<
376 445
377 for (std::size_t i = 1; i < n; ++i) << 446 for(size_t i=1; i<n; ++i)
378 { 447 {
379 sig = << 448 secDerivative[i] =
380 (binVector[i] - binVector[i - 1]) / (bin << 449 3.0*((dataVector[i+1]-dataVector[i])/(binVector[i+1]-binVector[i]) -
381 p = sig * (secDerivative[i << 450 (dataVector[i]-dataVector[i-1])/(binVector[i]-binVector[i-1]))
382 secDerivative[i] = (sig - 1.0) / p; << 451 /(binVector[i+1]-binVector[i-1]);
383 u[i] = <<
384 (dataVector[i + 1] - dataVector[i]) / (b <<
385 (dataVector[i] - dataVector[i - 1]) / (b <<
386 u[i] = <<
387 6.0 * u[i] / (binVector[i + 1] - binVect <<
388 } <<
389 <<
390 sig = <<
391 (binVector[n - 1] - binVector[n - 2]) / (b <<
392 p = sig * secDerivative[n - 2] + 2.0; <<
393 un = (6.0 / (binVector[n] - binVector[n - 1] <<
394 (endPointDerivative - (dataVector[n] <<
395 (binVector[n] <<
396 u[n - 1] / p; <<
397 secDerivative[n] = un / (secDerivative[n - 1 <<
398 <<
399 // The back-substitution loop for the triago <<
400 // a linear system of equations. <<
401 <<
402 for (std::size_t k = n - 1; k > 0; --k) <<
403 { <<
404 secDerivative[k] *= <<
405 (secDerivative[k + 1] - u[k] * (binVecto <<
406 (binVector[k + <<
407 } 452 }
408 secDerivative[0] = 0.5 * (u[0] - secDerivati << 453 secDerivative[n] = secDerivative[n-1];
409 << 454 secDerivative[0] = secDerivative[1];
410 delete[] u; <<
411 } 455 }
412 456
413 // ------------------------------------------- 457 // --------------------------------------------------------------
>> 458
>> 459 G4bool G4PhysicsVector::SplinePossible()
>> 460 // Initialise second derivative array. If neighbor energy coincide
>> 461 // or not ordered than spline cannot be applied
>> 462 {
>> 463 G4bool result = true;
>> 464 for(size_t j=1; j<numberOfNodes; ++j)
>> 465 {
>> 466 if(binVector[j] <= binVector[j-1]) {
>> 467 result = false;
>> 468 useSpline = false;
>> 469 secDerivative.clear();
>> 470 break;
>> 471 }
>> 472 }
>> 473 secDerivative.resize(numberOfNodes,0.0);
>> 474 return result;
>> 475 }
>> 476
>> 477 // --------------------------------------------------------------
>> 478
414 std::ostream& operator<<(std::ostream& out, co 479 std::ostream& operator<<(std::ostream& out, const G4PhysicsVector& pv)
415 { 480 {
416 // binning 481 // binning
417 G4long prec = out.precision(); << 482 out << std::setprecision(12) << pv.edgeMin << " "
418 out << std::setprecision(12) << pv.edgeMin < << 483 << pv.edgeMax << " " << pv.numberOfNodes << G4endl;
419 << pv.numberOfNodes << G4endl; <<
420 484
421 // contents 485 // contents
422 out << pv.dataVector.size() << G4endl; << 486 out << pv.dataVector.size() << G4endl;
423 for (std::size_t i = 0; i < pv.dataVector.si << 487 for(size_t i = 0; i < pv.dataVector.size(); i++)
424 { 488 {
425 out << pv.binVector[i] << " " << pv.dataV 489 out << pv.binVector[i] << " " << pv.dataVector[i] << G4endl;
426 } 490 }
427 out.precision(prec); << 491 out << std::setprecision(6);
428 492
429 return out; 493 return out;
430 } 494 }
431 495
432 //-------------------------------------------- 496 //---------------------------------------------------------------
433 G4double G4PhysicsVector::GetEnergy(const G4do << 497
>> 498 G4double G4PhysicsVector::Value(G4double theEnergy, size_t& lastIdx) const
434 { 499 {
435 if (0 == numberOfNodes) << 500 G4double y;
436 { << 501 if(theEnergy <= edgeMin) {
437 return 0.0; << 502 lastIdx = 0;
438 } << 503 y = dataVector[0];
439 if (1 == numberOfNodes || val <= dataVector[ << 504 } else if(theEnergy >= edgeMax) {
440 { << 505 lastIdx = numberOfNodes-1;
441 return edgeMin; << 506 y = dataVector[lastIdx];
442 } << 507 } else {
443 if (val >= dataVector[numberOfNodes - 1]) << 508 lastIdx = FindBin(theEnergy, lastIdx);
444 { << 509 y = Interpolation(lastIdx, theEnergy);
445 return edgeMax; <<
446 } 510 }
447 std::size_t bin = std::lower_bound(dataVecto << 511 return y;
448 - dataVector.cbegin() - 1; <<
449 if (bin > idxmax) { bin = idxmax; } <<
450 G4double res = binVector[bin]; <<
451 G4double del = dataVector[bin + 1] - dataVec <<
452 if (del > 0.0) <<
453 { <<
454 res += (val - dataVector[bin]) * (binVecto <<
455 } <<
456 return res; <<
457 } 512 }
458 513
459 //-------------------------------------------- 514 //---------------------------------------------------------------
460 void G4PhysicsVector::PrintPutValueError(std:: << 515
461 G4dou << 516 G4double G4PhysicsVector::FindLinearEnergy(G4double rand) const
462 const << 517 {
463 { << 518 if(1 >= numberOfNodes) { return 0.0; }
464 G4ExceptionDescription ed; << 519 G4double y = rand*dataVector[numberOfNodes-1];
465 ed << "Vector type: " << type << " length= " << 520 size_t bin = std::lower_bound(dataVector.begin(), dataVector.end(), y)
466 << "; an attempt to put data at index= " << 521 - dataVector.begin() - 1;
467 << " value= " << val << " in " << text; << 522 bin = std::min(bin, numberOfNodes-2);
468 G4Exception("G4PhysicsVector:", "gl0005", << 523 G4double res = binVector[bin];
469 FatalException, ed, "Wrong opera << 524 G4double del = dataVector[bin+1] - dataVector[bin];
>> 525 if(del > 0.0) {
>> 526 res += (y - dataVector[bin])*(binVector[bin+1] - res)/del;
>> 527 }
>> 528 return res;
470 } 529 }
471 530
472 //-------------------------------------------- 531 //---------------------------------------------------------------
473 532