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25 // 25 //
26 // G4PhysicsVector class implementation <<
27 // 26 //
28 // Authors: << 27 // $Id: G4PhysicsVector.cc 83009 2014-07-24 14:51:29Z 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"
>> 58
>> 59 //G4ThreadLocal G4Allocator<G4PhysicsVector> *fpPVAllocator = 0;
37 60
38 // ------------------------------------------- 61 // --------------------------------------------------------------
39 G4PhysicsVector::G4PhysicsVector(G4bool val) <<
40 : useSpline(val) <<
41 {} <<
42 62
43 // ------------------------------------------- << 63 G4PhysicsVector::G4PhysicsVector(G4bool)
44 void G4PhysicsVector::Initialise() << 64 : type(T_G4PhysicsVector),
>> 65 edgeMin(0.), edgeMax(0.), numberOfNodes(0),
>> 66 useSpline(false),
>> 67 dBin(0.), baseBin(0.),
>> 68 verboseLevel(0)
45 { 69 {
46 if (1 < numberOfNodes) << 70 // if (!fpPVAllocator) fpPVAllocator = new G4Allocator<G4PhysicsVector>;
47 { << 71 }
48 idxmax = numberOfNodes - 2; << 72
49 edgeMin = binVector[0]; << 73 // --------------------------------------------------------------
50 edgeMax = binVector[idxmax + 1]; << 74
>> 75 G4PhysicsVector::~G4PhysicsVector()
>> 76 {
>> 77 }
>> 78
>> 79 // --------------------------------------------------------------
>> 80
>> 81 G4PhysicsVector::G4PhysicsVector(const G4PhysicsVector& right)
>> 82 {
>> 83 dBin = right.dBin;
>> 84 baseBin = right.baseBin;
>> 85 verboseLevel = right.verboseLevel;
>> 86
>> 87 DeleteData();
>> 88 CopyData(right);
>> 89 }
>> 90
>> 91 // --------------------------------------------------------------
>> 92
>> 93 G4PhysicsVector& G4PhysicsVector::operator=(const G4PhysicsVector& right)
>> 94 {
>> 95 if (&right==this) { return *this; }
>> 96 dBin = right.dBin;
>> 97 baseBin = right.baseBin;
>> 98 verboseLevel = right.verboseLevel;
>> 99
>> 100 DeleteData();
>> 101 CopyData(right);
>> 102 return *this;
>> 103 }
>> 104
>> 105 // --------------------------------------------------------------
>> 106
>> 107 G4int G4PhysicsVector::operator==(const G4PhysicsVector &right) const
>> 108 {
>> 109 return (this == &right);
>> 110 }
>> 111
>> 112 // --------------------------------------------------------------
>> 113
>> 114 G4int G4PhysicsVector::operator!=(const G4PhysicsVector &right) const
>> 115 {
>> 116 return (this != &right);
>> 117 }
>> 118
>> 119 // --------------------------------------------------------------
>> 120
>> 121 void G4PhysicsVector::DeleteData()
>> 122 {
>> 123 useSpline = false;
>> 124 secDerivative.clear();
>> 125 }
>> 126
>> 127 // --------------------------------------------------------------
>> 128
>> 129 void G4PhysicsVector::CopyData(const G4PhysicsVector& vec)
>> 130 {
>> 131 type = vec.type;
>> 132 edgeMin = vec.edgeMin;
>> 133 edgeMax = vec.edgeMax;
>> 134 numberOfNodes = vec.numberOfNodes;
>> 135 useSpline = vec.useSpline;
>> 136
>> 137 size_t i;
>> 138 dataVector.resize(numberOfNodes);
>> 139 for(i=0; i<numberOfNodes; ++i) {
>> 140 dataVector[i] = (vec.dataVector)[i];
>> 141 }
>> 142 binVector.resize(numberOfNodes);
>> 143 for(i=0; i<numberOfNodes; ++i) {
>> 144 binVector[i] = (vec.binVector)[i];
>> 145 }
>> 146 if(0 < (vec.secDerivative).size()) {
>> 147 secDerivative.resize(numberOfNodes);
>> 148 for(i=0; i<numberOfNodes; ++i){
>> 149 secDerivative[i] = (vec.secDerivative)[i];
>> 150 }
51 } 151 }
52 } 152 }
53 153
54 // ------------------------------------------- 154 // --------------------------------------------------------------
55 G4bool G4PhysicsVector::Store(std::ofstream& f << 155
>> 156 G4double G4PhysicsVector::GetLowEdgeEnergy(size_t binNumber) const
>> 157 {
>> 158 return binVector[binNumber];
>> 159 }
>> 160
>> 161 // --------------------------------------------------------------
>> 162
>> 163 G4bool G4PhysicsVector::Store(std::ofstream& fOut, G4bool ascii)
56 { 164 {
57 // Ascii mode 165 // Ascii mode
58 if (ascii) 166 if (ascii)
59 { 167 {
60 fOut << *this; 168 fOut << *this;
61 return true; 169 return true;
62 } << 170 }
63 // Binary Mode 171 // Binary Mode
64 172
65 // binning 173 // binning
66 fOut.write((char*) (&edgeMin), sizeof edgeMi << 174 fOut.write((char*)(&edgeMin), sizeof edgeMin);
67 fOut.write((char*) (&edgeMax), sizeof edgeMa << 175 fOut.write((char*)(&edgeMax), sizeof edgeMax);
68 fOut.write((char*) (&numberOfNodes), sizeof << 176 fOut.write((char*)(&numberOfNodes), sizeof numberOfNodes);
69 177
70 // contents 178 // contents
71 std::size_t size = dataVector.size(); << 179 size_t size = dataVector.size();
72 fOut.write((char*) (&size), sizeof size); << 180 fOut.write((char*)(&size), sizeof size);
73 181
74 auto value = new G4double[2 * size]; << 182 G4double* value = new G4double[2*size];
75 for (std::size_t i = 0; i < size; ++i) << 183 for(size_t i = 0; i < size; ++i)
76 { 184 {
77 value[2 * i] = binVector[i]; << 185 value[2*i] = binVector[i];
78 value[2 * i + 1] = dataVector[i]; << 186 value[2*i+1]= dataVector[i];
79 } 187 }
80 fOut.write((char*) (value), 2 * size * (size << 188 fOut.write((char*)(value), 2*size*(sizeof (G4double)));
81 delete[] value; << 189 delete [] value;
82 190
83 return true; 191 return true;
84 } 192 }
85 193
86 // ------------------------------------------- 194 // --------------------------------------------------------------
>> 195
87 G4bool G4PhysicsVector::Retrieve(std::ifstream 196 G4bool G4PhysicsVector::Retrieve(std::ifstream& fIn, G4bool ascii)
88 { 197 {
89 // clear properties; 198 // clear properties;
90 dataVector.clear(); 199 dataVector.clear();
91 binVector.clear(); 200 binVector.clear();
92 secDerivative.clear(); 201 secDerivative.clear();
93 202
94 // retrieve in ascii mode 203 // retrieve in ascii mode
95 if (ascii) << 204 if (ascii){
96 { <<
97 // binning 205 // binning
98 fIn >> edgeMin >> edgeMax >> numberOfNodes << 206 fIn >> edgeMin >> edgeMax >> numberOfNodes;
99 if (fIn.fail() || numberOfNodes < 2) << 207 if (fIn.fail()) { return false; }
100 { <<
101 return false; <<
102 } <<
103 // contents 208 // contents
104 G4int siz0 = 0; << 209 G4int siz=0;
105 fIn >> siz0; << 210 fIn >> siz;
106 if (siz0 < 2) { return false; } << 211 if (fIn.fail()) { return false; }
107 auto siz = static_cast<std::size_t>(siz0); << 212 if (siz<=0)
108 if (fIn.fail() || siz != numberOfNodes) <<
109 { 213 {
>> 214 #ifdef G4VERBOSE
>> 215 G4cerr << "G4PhysicsVector::Retrieve():";
>> 216 G4cerr << " Invalid vector size: " << siz << G4endl;
>> 217 #endif
110 return false; 218 return false;
111 } 219 }
112 220
113 binVector.reserve(siz); 221 binVector.reserve(siz);
114 dataVector.reserve(siz); 222 dataVector.reserve(siz);
115 G4double vBin, vData; 223 G4double vBin, vData;
116 224
117 for (std::size_t i = 0; i < siz; ++i) << 225 for(G4int i = 0; i < siz ; i++)
118 { 226 {
119 vBin = 0.; << 227 vBin = 0.;
120 vData = 0.; << 228 vData= 0.;
121 fIn >> vBin >> vData; 229 fIn >> vBin >> vData;
122 if (fIn.fail()) << 230 if (fIn.fail()) { return false; }
123 { <<
124 return false; <<
125 } <<
126 binVector.push_back(vBin); 231 binVector.push_back(vBin);
127 dataVector.push_back(vData); 232 dataVector.push_back(vData);
128 } 233 }
129 Initialise(); << 234
130 return true; << 235 // to remove any inconsistency
>> 236 numberOfNodes = siz;
>> 237 edgeMin = binVector[0];
>> 238 edgeMax = binVector[numberOfNodes-1];
>> 239 return true ;
131 } 240 }
132 241
133 // retrieve in binary mode 242 // retrieve in binary mode
134 // binning 243 // binning
135 fIn.read((char*) (&edgeMin), sizeof edgeMin) << 244 fIn.read((char*)(&edgeMin), sizeof edgeMin);
136 fIn.read((char*) (&edgeMax), sizeof edgeMax) << 245 fIn.read((char*)(&edgeMax), sizeof edgeMax);
137 fIn.read((char*) (&numberOfNodes), sizeof nu << 246 fIn.read((char*)(&numberOfNodes), sizeof numberOfNodes );
138 << 247
139 // contents 248 // contents
140 std::size_t size; << 249 size_t size;
141 fIn.read((char*) (&size), sizeof size); << 250 fIn.read((char*)(&size), sizeof size);
142 << 251
143 auto value = new G4double[2 * size]; << 252 G4double* value = new G4double[2*size];
144 fIn.read((char*) (value), 2 * size * (sizeof << 253 fIn.read((char*)(value), 2*size*(sizeof(G4double)) );
145 if (static_cast<G4int>(fIn.gcount()) != stat << 254 if (G4int(fIn.gcount()) != G4int(2*size*(sizeof(G4double))) )
146 { 255 {
147 delete[] value; << 256 delete [] value;
148 return false; 257 return false;
149 } 258 }
150 259
151 binVector.reserve(size); 260 binVector.reserve(size);
152 dataVector.reserve(size); 261 dataVector.reserve(size);
153 for (std::size_t i = 0; i < size; ++i) << 262 for(size_t i = 0; i < size; ++i)
154 { 263 {
155 binVector.push_back(value[2 * i]); << 264 binVector.push_back(value[2*i]);
156 dataVector.push_back(value[2 * i + 1]); << 265 dataVector.push_back(value[2*i+1]);
157 } 266 }
158 delete[] value; << 267 delete [] value;
>> 268
>> 269 // to remove any inconsistency
>> 270 numberOfNodes = size;
>> 271 edgeMin = binVector[0];
>> 272 edgeMax = binVector[numberOfNodes-1];
159 273
160 Initialise(); <<
161 return true; 274 return true;
162 } 275 }
163 276
164 // ------------------------------------------- 277 // --------------------------------------------------------------
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 } <<
173 278
174 // ------------------------------------------- << 279 void
175 std::size_t G4PhysicsVector::FindBin(const G4d << 280 G4PhysicsVector::ScaleVector(G4double factorE, G4double factorV)
176 std::size <<
177 { 281 {
178 if (idx + 1 < numberOfNodes && << 282 size_t n = dataVector.size();
179 energy >= binVector[idx] && energy <= bi << 283 size_t i;
180 { << 284 if(n > 0) {
181 return idx; << 285 for(i=0; i<n; ++i) {
182 } << 286 binVector[i] *= factorE;
183 if (energy <= binVector[1]) << 287 dataVector[i] *= factorV;
184 { << 288 }
185 return 0; <<
186 } <<
187 if (energy >= binVector[idxmax]) <<
188 { <<
189 return idxmax; <<
190 } 289 }
191 return GetBin(energy); << 290 // n = secDerivative.size();
192 } << 291 // if(n > 0) { for(i=0; i<n; ++i) { secDerivative[i] *= factorV; } }
>> 292 secDerivative.clear();
193 293
194 // ------------------------------------------- << 294 edgeMin *= factorE;
195 void G4PhysicsVector::ScaleVector(const G4doub << 295 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 } 296 }
205 297
206 // ------------------------------------------- << 298 // --------------------------------------------------------------
207 void G4PhysicsVector::FillSecondDerivatives(co << 299
208 const G4double dir1, << 300 void
209 const G4double dir2) << 301 G4PhysicsVector::ComputeSecondDerivatives(G4double firstPointDerivative,
>> 302 G4double endPointDerivative)
>> 303 // A standard method of computation of second derivatives
>> 304 // First derivatives at the first and the last point should be provided
>> 305 // See for example W.H. Press et al. "Numerical recipes in C"
>> 306 // Cambridge University Press, 1997.
210 { 307 {
211 if (!useSpline) { return; } << 308 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 { 309 {
216 if (0 < verboseLevel) << 310 ComputeSecDerivatives();
217 { <<
218 G4cout << "### G4PhysicsVector: spline c <<
219 << numberOfNodes << " points - spline d <<
220 << G4endl; <<
221 DumpValues(); <<
222 } <<
223 useSpline = false; <<
224 return; 311 return;
225 } 312 }
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 } <<
246 313
247 // spline is possible << 314 if(!SplinePossible()) { return; }
248 Initialise(); <<
249 secDerivative.resize(numberOfNodes); <<
250 315
251 if (1 < verboseLevel) << 316 useSpline = true;
252 { <<
253 G4cout << "### G4PhysicsVector:: FillSecon <<
254 << numberOfNodes << G4endl; <<
255 DumpValues(); <<
256 } <<
257 317
258 switch(stype) << 318 G4int n = numberOfNodes-1;
259 { <<
260 case G4SplineType::Base: <<
261 ComputeSecDerivative1(); <<
262 break; <<
263 319
264 case G4SplineType::FixedEdges: << 320 G4double* u = new G4double [n];
265 ComputeSecDerivative2(dir1, dir2); << 321
266 break; << 322 G4double p, sig, un;
267 323
268 default: << 324 u[0] = (6.0/(binVector[1]-binVector[0]))
269 ComputeSecDerivative0(); << 325 * ((dataVector[1]-dataVector[0])/(binVector[1]-binVector[0])
270 } << 326 - firstPointDerivative);
271 } << 327
>> 328 secDerivative[0] = - 0.5;
272 329
273 // ------------------------------------------- << 330 // Decomposition loop for tridiagonal algorithm. secDerivative[i]
274 void G4PhysicsVector::ComputeSecDerivative0() << 331 // 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; <<
278 332
279 for (std::size_t i = 1; i < n; ++i) << 333 for(G4int i=1; i<n; ++i)
280 { 334 {
281 secDerivative[i] = 3.0 * << 335 sig = (binVector[i]-binVector[i-1]) / (binVector[i+1]-binVector[i-1]);
282 ((dataVector[i + 1] - dataVector[i]) / ( << 336 p = sig*(secDerivative[i-1]) + 2.0;
283 (dataVector[i] - dataVector[i - 1]) / << 337 secDerivative[i] = (sig - 1.0)/p;
284 (binVector[i] - binVector[i - 1])) / << 338 u[i] = (dataVector[i+1]-dataVector[i])/(binVector[i+1]-binVector[i])
285 (binVector[i + 1] - binVector[i - 1]); << 339 - (dataVector[i]-dataVector[i-1])/(binVector[i]-binVector[i-1]);
>> 340 u[i] = 6.0*u[i]/(binVector[i+1]-binVector[i-1]) - sig*u[i-1]/p;
>> 341 }
>> 342
>> 343 sig = (binVector[n-1]-binVector[n-2]) / (binVector[n]-binVector[n-2]);
>> 344 p = sig*secDerivative[n-2] + 2.0;
>> 345 un = (6.0/(binVector[n]-binVector[n-1]))
>> 346 *(endPointDerivative -
>> 347 (dataVector[n]-dataVector[n-1])/(binVector[n]-binVector[n-1])) - u[n-1]/p;
>> 348 secDerivative[n] = un/(secDerivative[n-1] + 2.0);
>> 349
>> 350 // The back-substitution loop for the triagonal algorithm of solving
>> 351 // a linear system of equations.
>> 352
>> 353 for(G4int k=n-1; k>0; --k)
>> 354 {
>> 355 secDerivative[k] *=
>> 356 (secDerivative[k+1] -
>> 357 u[k]*(binVector[k+1]-binVector[k-1])/(binVector[k+1]-binVector[k]));
286 } 358 }
287 secDerivative[n] = secDerivative[n - 1]; << 359 secDerivative[0] = 0.5*(u[0] - secDerivative[1]);
288 secDerivative[0] = secDerivative[1]; << 360
>> 361 delete [] u;
289 } 362 }
290 363
291 // ------------------------------------------- 364 // --------------------------------------------------------------
292 void G4PhysicsVector::ComputeSecDerivative1() << 365
293 // Computation of second derivatives using "No << 366 void G4PhysicsVector::FillSecondDerivatives()
294 // B.I. Kvasov "Methods of shape-preserving sp << 367 // Computation of second derivatives using "Not-a-knot" endpoint conditions
295 // World Scientific, 2000 << 368 // B.I. Kvasov "Methods of shape-preserving spline approximation"
>> 369 // World Scientific, 2000
296 { 370 {
297 std::size_t n = numberOfNodes - 1; << 371 if(5 > numberOfNodes) // cannot compute derivatives for less than 4 points
298 auto u = new G4double[n]; << 372 {
299 G4double p, sig; << 373 ComputeSecDerivatives();
>> 374 return;
>> 375 }
>> 376
>> 377 if(!SplinePossible()) { return; }
300 378
301 u[1] = ((dataVector[2] - dataVector[1]) / (b << 379 useSpline = true;
302 (dataVector[1] - dataVector[0]) / (b << 380
303 u[1] = 6.0 * u[1] * (binVector[2] - binVecto << 381 G4int n = numberOfNodes-1;
304 ((binVector[2] - binVector[0]) * (bin << 382
>> 383 G4double* u = new G4double [n];
>> 384
>> 385 G4double p, sig;
305 386
>> 387 u[1] = ((dataVector[2]-dataVector[1])/(binVector[2]-binVector[1]) -
>> 388 (dataVector[1]-dataVector[0])/(binVector[1]-binVector[0]));
>> 389 u[1] = 6.0*u[1]*(binVector[2]-binVector[1])
>> 390 / ((binVector[2]-binVector[0])*(binVector[2]-binVector[0]));
>> 391
306 // Decomposition loop for tridiagonal algori 392 // Decomposition loop for tridiagonal algorithm. secDerivative[i]
307 // and u[i] are used for temporary storage o 393 // and u[i] are used for temporary storage of the decomposed factors.
308 394
309 secDerivative[1] = (2.0 * binVector[1] - bin << 395 secDerivative[1] = (2.0*binVector[1]-binVector[0]-binVector[2])
310 (2.0 * binVector[2] - bin << 396 / (2.0*binVector[2]-binVector[0]-binVector[1]);
311 397
312 for(std::size_t i = 2; i < n - 1; ++i) << 398 for(G4int i=2; i<n-1; ++i)
313 { 399 {
314 sig = << 400 sig = (binVector[i]-binVector[i-1]) / (binVector[i+1]-binVector[i-1]);
315 (binVector[i] - binVector[i - 1]) / (bin << 401 p = sig*secDerivative[i-1] + 2.0;
316 p = sig * secDerivative[i - << 402 secDerivative[i] = (sig - 1.0)/p;
317 secDerivative[i] = (sig - 1.0) / p; << 403 u[i] = (dataVector[i+1]-dataVector[i])/(binVector[i+1]-binVector[i])
318 u[i] = << 404 - (dataVector[i]-dataVector[i-1])/(binVector[i]-binVector[i-1]);
319 (dataVector[i + 1] - dataVector[i]) / (b << 405 u[i] = (6.0*u[i]/(binVector[i+1]-binVector[i-1])) - sig*u[i-1]/p;
320 (dataVector[i] - dataVector[i - 1]) / (b << 406 }
321 u[i] = << 407
322 (6.0 * u[i] / (binVector[i + 1] - binVec << 408 sig = (binVector[n-1]-binVector[n-2]) / (binVector[n]-binVector[n-2]);
323 } << 409 p = sig*secDerivative[n-3] + 2.0;
324 << 410 u[n-1] = (dataVector[n]-dataVector[n-1])/(binVector[n]-binVector[n-1])
325 sig = << 411 - (dataVector[n-1]-dataVector[n-2])/(binVector[n-1]-binVector[n-2]);
326 (binVector[n - 1] - binVector[n - 2]) / (b << 412 u[n-1] = 6.0*sig*u[n-1]/(binVector[n]-binVector[n-2])
327 p = sig * secDerivative[n - 3] + 2.0; << 413 - (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; <<
334 414
335 p = (1.0 + sig) + (2.0 * sig - 1.0) * secDer << 415 p = (1.0+sig) + (2.0*sig-1.0)*secDerivative[n-2];
336 secDerivative[n - 1] = u[n - 1] / p; << 416 secDerivative[n-1] = u[n-1]/p;
337 417
338 // The back-substitution loop for the triago 418 // The back-substitution loop for the triagonal algorithm of solving
339 // a linear system of equations. 419 // a linear system of equations.
340 << 420
341 for (std::size_t k = n - 2; k > 1; --k) << 421 for(G4int k=n-2; k>1; --k)
342 { 422 {
343 secDerivative[k] *= << 423 secDerivative[k] *=
344 (secDerivative[k + 1] - u[k] * (binVecto << 424 (secDerivative[k+1] -
345 (binVector[k + << 425 u[k]*(binVector[k+1]-binVector[k-1])/(binVector[k+1]-binVector[k]));
346 } << 426 }
347 secDerivative[n] = << 427 secDerivative[n] = (secDerivative[n-1] - (1.0-sig)*secDerivative[n-2])/sig;
348 (secDerivative[n - 1] - (1.0 - sig) * secD << 428 sig = 1.0 - ((binVector[2]-binVector[1])/(binVector[2]-binVector[0]));
349 sig = 1.0 - ((binVector[2] - binVector[1]) / << 429 secDerivative[1] *= (secDerivative[2] - u[1]/(1.0-sig));
350 secDerivative[1] *= (secDerivative[2] - u[1] << 430 secDerivative[0] = (secDerivative[1] - sig*secDerivative[2])/(1.0-sig);
351 secDerivative[0] = (secDerivative[1] - sig * <<
352 431
353 delete[] u; << 432 delete [] u;
354 } 433 }
355 434
356 // ------------------------------------------- 435 // --------------------------------------------------------------
357 void G4PhysicsVector::ComputeSecDerivative2(G4 << 436
358 G4 << 437 void
359 // A standard method of computation of second << 438 G4PhysicsVector::ComputeSecDerivatives()
360 // First derivatives at the first and the last << 439 // A simplified method of computation of second derivatives
361 // See for example W.H. Press et al. "Numerica <<
362 // Cambridge University Press, 1997. <<
363 { 440 {
364 std::size_t n = numberOfNodes - 1; << 441 if(3 > numberOfNodes) // cannot compute derivatives for less than 4 bins
365 auto u = new G4double[n]; << 442 {
366 G4double p, sig, un; << 443 useSpline = false;
>> 444 return;
>> 445 }
367 446
368 u[0] = (6.0 / (binVector[1] - binVector[0])) << 447 if(!SplinePossible()) { return; }
369 ((dataVector[1] - dataVector[0]) / (b <<
370 firstPointDerivative); <<
371 448
372 secDerivative[0] = -0.5; << 449 useSpline = true;
373 450
374 // Decomposition loop for tridiagonal algori << 451 size_t n = numberOfNodes-1;
375 // and u[i] are used for temporary storage o <<
376 452
377 for (std::size_t i = 1; i < n; ++i) << 453 for(size_t i=1; i<n; ++i)
378 { 454 {
379 sig = << 455 secDerivative[i] =
380 (binVector[i] - binVector[i - 1]) / (bin << 456 3.0*((dataVector[i+1]-dataVector[i])/(binVector[i+1]-binVector[i]) -
381 p = sig * (secDerivative[i << 457 (dataVector[i]-dataVector[i-1])/(binVector[i]-binVector[i-1]))
382 secDerivative[i] = (sig - 1.0) / p; << 458 /(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 } 459 }
408 secDerivative[0] = 0.5 * (u[0] - secDerivati << 460 secDerivative[n] = secDerivative[n-1];
409 << 461 secDerivative[0] = secDerivative[1];
410 delete[] u; <<
411 } 462 }
412 463
413 // ------------------------------------------- 464 // --------------------------------------------------------------
>> 465
>> 466 G4bool G4PhysicsVector::SplinePossible()
>> 467 // Initialise second derivative array. If neighbor energy coincide
>> 468 // or not ordered than spline cannot be applied
>> 469 {
>> 470 G4bool result = true;
>> 471 for(size_t j=1; j<numberOfNodes; ++j)
>> 472 {
>> 473 if(binVector[j] <= binVector[j-1]) {
>> 474 result = false;
>> 475 useSpline = false;
>> 476 secDerivative.clear();
>> 477 break;
>> 478 }
>> 479 }
>> 480 secDerivative.resize(numberOfNodes,0.0);
>> 481 return result;
>> 482 }
>> 483
>> 484 // --------------------------------------------------------------
>> 485
414 std::ostream& operator<<(std::ostream& out, co 486 std::ostream& operator<<(std::ostream& out, const G4PhysicsVector& pv)
415 { 487 {
416 // binning 488 // binning
417 G4long prec = out.precision(); << 489 out << std::setprecision(12) << pv.edgeMin << " "
418 out << std::setprecision(12) << pv.edgeMin < << 490 << pv.edgeMax << " " << pv.numberOfNodes << G4endl;
419 << pv.numberOfNodes << G4endl; <<
420 491
421 // contents 492 // contents
422 out << pv.dataVector.size() << G4endl; << 493 out << pv.dataVector.size() << G4endl;
423 for (std::size_t i = 0; i < pv.dataVector.si << 494 for(size_t i = 0; i < pv.dataVector.size(); i++)
424 { 495 {
425 out << pv.binVector[i] << " " << pv.dataV 496 out << pv.binVector[i] << " " << pv.dataVector[i] << G4endl;
426 } 497 }
427 out.precision(prec); << 498 out << std::setprecision(6);
428 499
429 return out; 500 return out;
430 } 501 }
431 502
432 //-------------------------------------------- 503 //---------------------------------------------------------------
433 G4double G4PhysicsVector::GetEnergy(const G4do << 504
>> 505 G4double G4PhysicsVector::Value(G4double theEnergy, size_t& lastIdx) const
434 { 506 {
435 if (0 == numberOfNodes) << 507 G4double y;
436 { << 508 if(theEnergy <= edgeMin) {
437 return 0.0; << 509 lastIdx = 0;
438 } << 510 y = dataVector[0];
439 if (1 == numberOfNodes || val <= dataVector[ << 511 } else if(theEnergy >= edgeMax) {
440 { << 512 lastIdx = numberOfNodes-1;
441 return edgeMin; << 513 y = dataVector[lastIdx];
442 } << 514 } else {
443 if (val >= dataVector[numberOfNodes - 1]) << 515 lastIdx = FindBin(theEnergy, lastIdx);
444 { << 516 y = Interpolation(lastIdx, theEnergy);
445 return edgeMax; <<
446 } 517 }
447 std::size_t bin = std::lower_bound(dataVecto << 518 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 } 519 }
458 520
459 //-------------------------------------------- 521 //---------------------------------------------------------------
460 void G4PhysicsVector::PrintPutValueError(std:: << 522
461 G4dou << 523 G4double G4PhysicsVector::FindLinearEnergy(G4double rand) const
462 const << 524 {
463 { << 525 if(1 >= numberOfNodes) { return 0.0; }
464 G4ExceptionDescription ed; << 526 size_t n1 = 0;
465 ed << "Vector type: " << type << " length= " << 527 size_t n2 = numberOfNodes/2;
466 << "; an attempt to put data at index= " << 528 size_t n3 = numberOfNodes - 1;
467 << " value= " << val << " in " << text; << 529 G4double y = rand*dataVector[n3];
468 G4Exception("G4PhysicsVector:", "gl0005", << 530 while (n1 + 1 != n3)
469 FatalException, ed, "Wrong opera << 531 {
>> 532 if (y > dataVector[n2])
>> 533 { n1 = n2; }
>> 534 else
>> 535 { n3 = n2; }
>> 536 n2 = (n3 + n1 + 1)/2;
>> 537 }
>> 538 G4double res = binVector[n1];
>> 539 G4double del = dataVector[n3] - dataVector[n1];
>> 540 if(del > 0.0) {
>> 541 res += (y - dataVector[n1])*(binVector[n3] - res)/del;
>> 542 }
>> 543 return res;
470 } 544 }
471 545
472 //-------------------------------------------- 546 //---------------------------------------------------------------
473 547