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25 // 25 //
26 // G4PhysicsVector class implementation <<
27 // 26 //
28 // Authors: << 27 // $Id$
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" 56 #include "G4PhysicsVector.hh"
36 #include <iomanip> 57 #include <iomanip>
37 58
>> 59 G4Allocator<G4PhysicsVector> aPVAllocator;
>> 60
38 // ------------------------------------------- 61 // --------------------------------------------------------------
39 G4PhysicsVector::G4PhysicsVector(G4bool val) <<
40 : useSpline(val) <<
41 {} <<
42 62
43 // ------------------------------------------- << 63 G4PhysicsVector::G4PhysicsVector(G4bool spline)
44 void G4PhysicsVector::Initialise() << 64 : type(T_G4PhysicsVector),
>> 65 edgeMin(0.), edgeMax(0.), numberOfNodes(0),
>> 66 useSpline(spline),
>> 67 dBin(0.), baseBin(0.),
>> 68 verboseLevel(0)
45 { 69 {
46 if (1 < numberOfNodes) << 70 cache = new G4PhysicsVectorCache();
47 { << 71 }
48 idxmax = numberOfNodes - 2; << 72
49 edgeMin = binVector[0]; << 73 // --------------------------------------------------------------
50 edgeMax = binVector[idxmax + 1]; << 74
>> 75 G4PhysicsVector::~G4PhysicsVector()
>> 76 {
>> 77 delete cache; cache =0;
>> 78 }
>> 79
>> 80 // --------------------------------------------------------------
>> 81
>> 82 G4PhysicsVector::G4PhysicsVector(const G4PhysicsVector& right)
>> 83 {
>> 84 cache = new G4PhysicsVectorCache();
>> 85 dBin = right.dBin;
>> 86 baseBin = right.baseBin;
>> 87 verboseLevel = right.verboseLevel;
>> 88
>> 89 DeleteData();
>> 90 CopyData(right);
>> 91 }
>> 92
>> 93 // --------------------------------------------------------------
>> 94
>> 95 G4PhysicsVector& G4PhysicsVector::operator=(const G4PhysicsVector& right)
>> 96 {
>> 97 if (&right==this) { return *this; }
>> 98 dBin = right.dBin;
>> 99 baseBin = right.baseBin;
>> 100 verboseLevel = right.verboseLevel;
>> 101
>> 102 DeleteData();
>> 103 CopyData(right);
>> 104 return *this;
>> 105 }
>> 106
>> 107 // --------------------------------------------------------------
>> 108
>> 109 G4int G4PhysicsVector::operator==(const G4PhysicsVector &right) const
>> 110 {
>> 111 return (this == &right);
>> 112 }
>> 113
>> 114 // --------------------------------------------------------------
>> 115
>> 116 G4int G4PhysicsVector::operator!=(const G4PhysicsVector &right) const
>> 117 {
>> 118 return (this != &right);
>> 119 }
>> 120
>> 121 // --------------------------------------------------------------
>> 122
>> 123 void G4PhysicsVector::DeleteData()
>> 124 {
>> 125 secDerivative.clear();
>> 126 }
>> 127
>> 128 // --------------------------------------------------------------
>> 129
>> 130 void G4PhysicsVector::CopyData(const G4PhysicsVector& vec)
>> 131 {
>> 132 type = vec.type;
>> 133 edgeMin = vec.edgeMin;
>> 134 edgeMax = vec.edgeMax;
>> 135 numberOfNodes = vec.numberOfNodes;
>> 136 cache->lastEnergy = vec.GetLastEnergy();
>> 137 cache->lastValue = vec.GetLastValue();
>> 138 cache->lastBin = vec.GetLastBin();
>> 139 useSpline = vec.useSpline;
>> 140
>> 141 size_t i;
>> 142 dataVector.clear();
>> 143 for(i=0; i<(vec.dataVector).size(); i++){
>> 144 dataVector.push_back( (vec.dataVector)[i] );
>> 145 }
>> 146 binVector.clear();
>> 147 for(i=0; i<(vec.binVector).size(); i++){
>> 148 binVector.push_back( (vec.binVector)[i] );
>> 149 }
>> 150 secDerivative.clear();
>> 151 for(i=0; i<(vec.secDerivative).size(); i++){
>> 152 secDerivative.push_back( (vec.secDerivative)[i] );
51 } 153 }
52 } 154 }
53 155
54 // ------------------------------------------- 156 // --------------------------------------------------------------
55 G4bool G4PhysicsVector::Store(std::ofstream& f << 157
>> 158 G4double G4PhysicsVector::GetLowEdgeEnergy(size_t binNumber) const
>> 159 {
>> 160 return binVector[binNumber];
>> 161 }
>> 162
>> 163 // --------------------------------------------------------------
>> 164
>> 165 G4bool G4PhysicsVector::Store(std::ofstream& fOut, G4bool ascii)
56 { 166 {
57 // Ascii mode 167 // Ascii mode
58 if (ascii) 168 if (ascii)
59 { 169 {
60 fOut << *this; 170 fOut << *this;
61 return true; 171 return true;
62 } << 172 }
63 // Binary Mode 173 // Binary Mode
64 174
65 // binning 175 // binning
66 fOut.write((char*) (&edgeMin), sizeof edgeMi << 176 fOut.write((char*)(&edgeMin), sizeof edgeMin);
67 fOut.write((char*) (&edgeMax), sizeof edgeMa << 177 fOut.write((char*)(&edgeMax), sizeof edgeMax);
68 fOut.write((char*) (&numberOfNodes), sizeof << 178 fOut.write((char*)(&numberOfNodes), sizeof numberOfNodes);
69 179
70 // contents 180 // contents
71 std::size_t size = dataVector.size(); << 181 size_t size = dataVector.size();
72 fOut.write((char*) (&size), sizeof size); << 182 fOut.write((char*)(&size), sizeof size);
73 183
74 auto value = new G4double[2 * size]; << 184 G4double* value = new G4double[2*size];
75 for (std::size_t i = 0; i < size; ++i) << 185 for(size_t i = 0; i < size; ++i)
76 { 186 {
77 value[2 * i] = binVector[i]; << 187 value[2*i] = binVector[i];
78 value[2 * i + 1] = dataVector[i]; << 188 value[2*i+1]= dataVector[i];
79 } 189 }
80 fOut.write((char*) (value), 2 * size * (size << 190 fOut.write((char*)(value), 2*size*(sizeof (G4double)));
81 delete[] value; << 191 delete [] value;
82 192
83 return true; 193 return true;
84 } 194 }
85 195
86 // ------------------------------------------- 196 // --------------------------------------------------------------
>> 197
87 G4bool G4PhysicsVector::Retrieve(std::ifstream 198 G4bool G4PhysicsVector::Retrieve(std::ifstream& fIn, G4bool ascii)
88 { 199 {
89 // clear properties; 200 // clear properties;
>> 201 cache->lastEnergy=-DBL_MAX;
>> 202 cache->lastValue =0.;
>> 203 cache->lastBin =0;
90 dataVector.clear(); 204 dataVector.clear();
91 binVector.clear(); 205 binVector.clear();
92 secDerivative.clear(); 206 secDerivative.clear();
93 207
94 // retrieve in ascii mode 208 // retrieve in ascii mode
95 if (ascii) << 209 if (ascii){
96 { <<
97 // binning 210 // binning
98 fIn >> edgeMin >> edgeMax >> numberOfNodes << 211 fIn >> edgeMin >> edgeMax >> numberOfNodes;
99 if (fIn.fail() || numberOfNodes < 2) << 212 if (fIn.fail()) { return false; }
100 { <<
101 return false; <<
102 } <<
103 // contents 213 // contents
104 G4int siz0 = 0; << 214 G4int siz=0;
105 fIn >> siz0; << 215 fIn >> siz;
106 if (siz0 < 2) { return false; } << 216 if (fIn.fail()) { return false; }
107 auto siz = static_cast<std::size_t>(siz0); << 217 if (siz<=0)
108 if (fIn.fail() || siz != numberOfNodes) <<
109 { 218 {
>> 219 #ifdef G4VERBOSE
>> 220 G4cerr << "G4PhysicsVector::Retrieve():";
>> 221 G4cerr << " Invalid vector size: " << siz << G4endl;
>> 222 #endif
110 return false; 223 return false;
111 } 224 }
112 225
113 binVector.reserve(siz); 226 binVector.reserve(siz);
114 dataVector.reserve(siz); 227 dataVector.reserve(siz);
115 G4double vBin, vData; 228 G4double vBin, vData;
116 229
117 for (std::size_t i = 0; i < siz; ++i) << 230 for(G4int i = 0; i < siz ; i++)
118 { 231 {
119 vBin = 0.; << 232 vBin = 0.;
120 vData = 0.; << 233 vData= 0.;
121 fIn >> vBin >> vData; 234 fIn >> vBin >> vData;
122 if (fIn.fail()) << 235 if (fIn.fail()) { return false; }
123 { <<
124 return false; <<
125 } <<
126 binVector.push_back(vBin); 236 binVector.push_back(vBin);
127 dataVector.push_back(vData); 237 dataVector.push_back(vData);
128 } 238 }
129 Initialise(); << 239
130 return true; << 240 // to remove any inconsistency
>> 241 numberOfNodes = siz;
>> 242 edgeMin = binVector[0];
>> 243 edgeMax = binVector[numberOfNodes-1];
>> 244 return true ;
131 } 245 }
132 246
133 // retrieve in binary mode 247 // retrieve in binary mode
134 // binning 248 // binning
135 fIn.read((char*) (&edgeMin), sizeof edgeMin) << 249 fIn.read((char*)(&edgeMin), sizeof edgeMin);
136 fIn.read((char*) (&edgeMax), sizeof edgeMax) << 250 fIn.read((char*)(&edgeMax), sizeof edgeMax);
137 fIn.read((char*) (&numberOfNodes), sizeof nu << 251 fIn.read((char*)(&numberOfNodes), sizeof numberOfNodes );
138 << 252
139 // contents 253 // contents
140 std::size_t size; << 254 size_t size;
141 fIn.read((char*) (&size), sizeof size); << 255 fIn.read((char*)(&size), sizeof size);
142 << 256
143 auto value = new G4double[2 * size]; << 257 G4double* value = new G4double[2*size];
144 fIn.read((char*) (value), 2 * size * (sizeof << 258 fIn.read((char*)(value), 2*size*(sizeof(G4double)) );
145 if (static_cast<G4int>(fIn.gcount()) != stat << 259 if (G4int(fIn.gcount()) != G4int(2*size*(sizeof(G4double))) )
146 { 260 {
147 delete[] value; << 261 delete [] value;
148 return false; 262 return false;
149 } 263 }
150 264
151 binVector.reserve(size); 265 binVector.reserve(size);
152 dataVector.reserve(size); 266 dataVector.reserve(size);
153 for (std::size_t i = 0; i < size; ++i) << 267 for(size_t i = 0; i < size; ++i)
154 { 268 {
155 binVector.push_back(value[2 * i]); << 269 binVector.push_back(value[2*i]);
156 dataVector.push_back(value[2 * i + 1]); << 270 dataVector.push_back(value[2*i+1]);
157 } 271 }
158 delete[] value; << 272 delete [] value;
>> 273
>> 274 // to remove any inconsistency
>> 275 numberOfNodes = size;
>> 276 edgeMin = binVector[0];
>> 277 edgeMax = binVector[numberOfNodes-1];
159 278
160 Initialise(); <<
161 return true; 279 return true;
162 } 280 }
163 281
164 // ------------------------------------------- 282 // --------------------------------------------------------------
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 } <<
173 283
174 // ------------------------------------------- << 284 void
175 std::size_t G4PhysicsVector::FindBin(const G4d << 285 G4PhysicsVector::ScaleVector(G4double factorE, G4double factorV)
176 std::size <<
177 { 286 {
178 if (idx + 1 < numberOfNodes && << 287 size_t n = dataVector.size();
179 energy >= binVector[idx] && energy <= bi << 288 size_t i;
180 { << 289 if(n > 0) {
181 return idx; << 290 for(i=0; i<n; ++i) {
182 } << 291 binVector[i] *= factorE;
183 if (energy <= binVector[1]) << 292 dataVector[i] *= factorV;
184 { << 293 }
185 return 0; <<
186 } 294 }
187 if (energy >= binVector[idxmax]) << 295 // n = secDerivative.size();
188 { << 296 // if(n > 0) { for(i=0; i<n; ++i) { secDerivative[i] *= factorV; } }
189 return idxmax; << 297 secDerivative.clear();
190 } <<
191 return GetBin(energy); <<
192 } <<
193 298
194 // ------------------------------------------- << 299 edgeMin *= factorE;
195 void G4PhysicsVector::ScaleVector(const G4doub << 300 edgeMax *= factorE;
196 const G4doub << 301 cache->lastEnergy = factorE*(cache->lastEnergy);
197 { << 302 cache->lastValue = factorV*(cache->lastValue);
198 for (std::size_t i = 0; i < numberOfNodes; + <<
199 { <<
200 binVector[i] *= factorE; <<
201 dataVector[i] *= factorV; <<
202 } <<
203 Initialise(); <<
204 } 303 }
205 304
206 // ------------------------------------------- << 305 // --------------------------------------------------------------
207 void G4PhysicsVector::FillSecondDerivatives(co << 306
208 const G4double dir1, << 307 void
209 const G4double dir2) << 308 G4PhysicsVector::ComputeSecondDerivatives(G4double firstPointDerivative,
>> 309 G4double endPointDerivative)
>> 310 // A standard method of computation of second derivatives
>> 311 // First derivatives at the first and the last point should be provided
>> 312 // See for example W.H. Press et al. "Numerical recipes in C"
>> 313 // Cambridge University Press, 1997.
210 { 314 {
211 if (!useSpline) { return; } << 315 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 { 316 {
216 if (0 < verboseLevel) << 317 ComputeSecDerivatives();
217 { <<
218 G4cout << "### G4PhysicsVector: spline c <<
219 << numberOfNodes << " points - spline d <<
220 << G4endl; <<
221 DumpValues(); <<
222 } <<
223 useSpline = false; <<
224 return; 318 return;
225 } 319 }
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 } <<
246 320
247 // spline is possible << 321 if(!SplinePossible()) { return; }
248 Initialise(); <<
249 secDerivative.resize(numberOfNodes); <<
250 322
251 if (1 < verboseLevel) << 323 G4int n = numberOfNodes-1;
252 { <<
253 G4cout << "### G4PhysicsVector:: FillSecon <<
254 << numberOfNodes << G4endl; <<
255 DumpValues(); <<
256 } <<
257 324
258 switch(stype) << 325 G4double* u = new G4double [n];
259 { << 326
260 case G4SplineType::Base: << 327 G4double p, sig, un;
261 ComputeSecDerivative1(); << 328
262 break; << 329 u[0] = (6.0/(binVector[1]-binVector[0]))
>> 330 * ((dataVector[1]-dataVector[0])/(binVector[1]-binVector[0])
>> 331 - firstPointDerivative);
>> 332
>> 333 secDerivative[0] = - 0.5;
>> 334
>> 335 // Decomposition loop for tridiagonal algorithm. secDerivative[i]
>> 336 // and u[i] are used for temporary storage of the decomposed factors.
263 337
264 case G4SplineType::FixedEdges: << 338 for(G4int i=1; i<n; ++i)
265 ComputeSecDerivative2(dir1, dir2); << 339 {
266 break; << 340 sig = (binVector[i]-binVector[i-1]) / (binVector[i+1]-binVector[i-1]);
>> 341 p = sig*(secDerivative[i-1]) + 2.0;
>> 342 secDerivative[i] = (sig - 1.0)/p;
>> 343 u[i] = (dataVector[i+1]-dataVector[i])/(binVector[i+1]-binVector[i])
>> 344 - (dataVector[i]-dataVector[i-1])/(binVector[i]-binVector[i-1]);
>> 345 u[i] = 6.0*u[i]/(binVector[i+1]-binVector[i-1]) - sig*u[i-1]/p;
>> 346 }
>> 347
>> 348 sig = (binVector[n-1]-binVector[n-2]) / (binVector[n]-binVector[n-2]);
>> 349 p = sig*secDerivative[n-2] + 2.0;
>> 350 un = (6.0/(binVector[n]-binVector[n-1]))
>> 351 *(endPointDerivative -
>> 352 (dataVector[n]-dataVector[n-1])/(binVector[n]-binVector[n-1])) - u[n-1]/p;
>> 353 secDerivative[n] = un/(secDerivative[n-1] + 2.0);
267 354
268 default: << 355 // The back-substitution loop for the triagonal algorithm of solving
269 ComputeSecDerivative0(); << 356 // a linear system of equations.
>> 357
>> 358 for(G4int k=n-1; k>0; --k)
>> 359 {
>> 360 secDerivative[k] *=
>> 361 (secDerivative[k+1] -
>> 362 u[k]*(binVector[k+1]-binVector[k-1])/(binVector[k+1]-binVector[k]));
270 } 363 }
>> 364 secDerivative[0] = 0.5*(u[0] - secDerivative[1]);
>> 365
>> 366 delete [] u;
271 } 367 }
272 368
273 // ------------------------------------------- 369 // --------------------------------------------------------------
274 void G4PhysicsVector::ComputeSecDerivative0() <<
275 // A simplified method of computation of seco <<
276 { <<
277 std::size_t n = numberOfNodes - 1; <<
278 370
279 for (std::size_t i = 1; i < n; ++i) << 371 void G4PhysicsVector::FillSecondDerivatives()
>> 372 // Computation of second derivatives using "Not-a-knot" endpoint conditions
>> 373 // B.I. Kvasov "Methods of shape-preserving spline approximation"
>> 374 // World Scientific, 2000
>> 375 {
>> 376 if(5 > numberOfNodes) // cannot compute derivatives for less than 4 points
280 { 377 {
281 secDerivative[i] = 3.0 * << 378 ComputeSecDerivatives();
282 ((dataVector[i + 1] - dataVector[i]) / ( << 379 return;
283 (dataVector[i] - dataVector[i - 1]) / <<
284 (binVector[i] - binVector[i - 1])) / <<
285 (binVector[i + 1] - binVector[i - 1]); <<
286 } 380 }
287 secDerivative[n] = secDerivative[n - 1]; <<
288 secDerivative[0] = secDerivative[1]; <<
289 } <<
290 381
291 // ------------------------------------------- << 382 if(!SplinePossible()) { return; }
292 void G4PhysicsVector::ComputeSecDerivative1() << 383
293 // Computation of second derivatives using "No << 384 G4int n = numberOfNodes-1;
294 // B.I. Kvasov "Methods of shape-preserving sp <<
295 // World Scientific, 2000 <<
296 { <<
297 std::size_t n = numberOfNodes - 1; <<
298 auto u = new G4double[n]; <<
299 G4double p, sig; <<
300 385
301 u[1] = ((dataVector[2] - dataVector[1]) / (b << 386 G4double* u = new G4double [n];
302 (dataVector[1] - dataVector[0]) / (b << 387
303 u[1] = 6.0 * u[1] * (binVector[2] - binVecto << 388 G4double p, sig;
304 ((binVector[2] - binVector[0]) * (bin <<
305 389
>> 390 u[1] = ((dataVector[2]-dataVector[1])/(binVector[2]-binVector[1]) -
>> 391 (dataVector[1]-dataVector[0])/(binVector[1]-binVector[0]));
>> 392 u[1] = 6.0*u[1]*(binVector[2]-binVector[1])
>> 393 / ((binVector[2]-binVector[0])*(binVector[2]-binVector[0]));
>> 394
306 // Decomposition loop for tridiagonal algori 395 // Decomposition loop for tridiagonal algorithm. secDerivative[i]
307 // and u[i] are used for temporary storage o 396 // and u[i] are used for temporary storage of the decomposed factors.
308 397
309 secDerivative[1] = (2.0 * binVector[1] - bin << 398 secDerivative[1] = (2.0*binVector[1]-binVector[0]-binVector[2])
310 (2.0 * binVector[2] - bin << 399 / (2.0*binVector[2]-binVector[0]-binVector[1]);
311 400
312 for(std::size_t i = 2; i < n - 1; ++i) << 401 for(G4int i=2; i<n-1; ++i)
313 { 402 {
314 sig = << 403 sig = (binVector[i]-binVector[i-1]) / (binVector[i+1]-binVector[i-1]);
315 (binVector[i] - binVector[i - 1]) / (bin << 404 p = sig*secDerivative[i-1] + 2.0;
316 p = sig * secDerivative[i - << 405 secDerivative[i] = (sig - 1.0)/p;
317 secDerivative[i] = (sig - 1.0) / p; << 406 u[i] = (dataVector[i+1]-dataVector[i])/(binVector[i+1]-binVector[i])
318 u[i] = << 407 - (dataVector[i]-dataVector[i-1])/(binVector[i]-binVector[i-1]);
319 (dataVector[i + 1] - dataVector[i]) / (b << 408 u[i] = (6.0*u[i]/(binVector[i+1]-binVector[i-1])) - sig*u[i-1]/p;
320 (dataVector[i] - dataVector[i - 1]) / (b << 409 }
321 u[i] = << 410
322 (6.0 * u[i] / (binVector[i + 1] - binVec << 411 sig = (binVector[n-1]-binVector[n-2]) / (binVector[n]-binVector[n-2]);
323 } << 412 p = sig*secDerivative[n-3] + 2.0;
324 << 413 u[n-1] = (dataVector[n]-dataVector[n-1])/(binVector[n]-binVector[n-1])
325 sig = << 414 - (dataVector[n-1]-dataVector[n-2])/(binVector[n-1]-binVector[n-2]);
326 (binVector[n - 1] - binVector[n - 2]) / (b << 415 u[n-1] = 6.0*sig*u[n-1]/(binVector[n]-binVector[n-2])
327 p = sig * secDerivative[n - 3] + 2.0; << 416 - (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; <<
334 417
335 p = (1.0 + sig) + (2.0 * sig - 1.0) * secDer << 418 p = (1.0+sig) + (2.0*sig-1.0)*secDerivative[n-2];
336 secDerivative[n - 1] = u[n - 1] / p; << 419 secDerivative[n-1] = u[n-1]/p;
337 420
338 // The back-substitution loop for the triago 421 // The back-substitution loop for the triagonal algorithm of solving
339 // a linear system of equations. 422 // a linear system of equations.
340 << 423
341 for (std::size_t k = n - 2; k > 1; --k) << 424 for(G4int k=n-2; k>1; --k)
342 { 425 {
343 secDerivative[k] *= << 426 secDerivative[k] *=
344 (secDerivative[k + 1] - u[k] * (binVecto << 427 (secDerivative[k+1] -
345 (binVector[k + << 428 u[k]*(binVector[k+1]-binVector[k-1])/(binVector[k+1]-binVector[k]));
346 } << 429 }
347 secDerivative[n] = << 430 secDerivative[n] = (secDerivative[n-1] - (1.0-sig)*secDerivative[n-2])/sig;
348 (secDerivative[n - 1] - (1.0 - sig) * secD << 431 sig = 1.0 - ((binVector[2]-binVector[1])/(binVector[2]-binVector[0]));
349 sig = 1.0 - ((binVector[2] - binVector[1]) / << 432 secDerivative[1] *= (secDerivative[2] - u[1]/(1.0-sig));
350 secDerivative[1] *= (secDerivative[2] - u[1] << 433 secDerivative[0] = (secDerivative[1] - sig*secDerivative[2])/(1.0-sig);
351 secDerivative[0] = (secDerivative[1] - sig * <<
352 434
353 delete[] u; << 435 delete [] u;
354 } 436 }
355 437
356 // ------------------------------------------- 438 // --------------------------------------------------------------
357 void G4PhysicsVector::ComputeSecDerivative2(G4 <<
358 G4 <<
359 // A standard method of computation of second <<
360 // First derivatives at the first and the last <<
361 // See for example W.H. Press et al. "Numerica <<
362 // Cambridge University Press, 1997. <<
363 { <<
364 std::size_t n = numberOfNodes - 1; <<
365 auto u = new G4double[n]; <<
366 G4double p, sig, un; <<
367 <<
368 u[0] = (6.0 / (binVector[1] - binVector[0])) <<
369 ((dataVector[1] - dataVector[0]) / (b <<
370 firstPointDerivative); <<
371 439
372 secDerivative[0] = -0.5; << 440 void
373 << 441 G4PhysicsVector::ComputeSecDerivatives()
374 // Decomposition loop for tridiagonal algori << 442 // A simplified method of computation of second derivatives
375 // and u[i] are used for temporary storage o << 443 {
>> 444 if(!SplinePossible()) { return; }
376 445
377 for (std::size_t i = 1; i < n; ++i) << 446 if(3 > numberOfNodes) // cannot compute derivatives for less than 4 bins
378 { 447 {
379 sig = << 448 useSpline = false;
380 (binVector[i] - binVector[i - 1]) / (bin << 449 return;
381 p = sig * (secDerivative[i << 450 }
382 secDerivative[i] = (sig - 1.0) / p; <<
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 <<
398 451
399 // The back-substitution loop for the triago << 452 size_t n = numberOfNodes-1;
400 // a linear system of equations. <<
401 453
402 for (std::size_t k = n - 1; k > 0; --k) << 454 for(size_t i=1; i<n; ++i)
403 { 455 {
404 secDerivative[k] *= << 456 secDerivative[i] =
405 (secDerivative[k + 1] - u[k] * (binVecto << 457 3.0*((dataVector[i+1]-dataVector[i])/(binVector[i+1]-binVector[i]) -
406 (binVector[k + << 458 (dataVector[i]-dataVector[i-1])/(binVector[i]-binVector[i-1]))
>> 459 /(binVector[i+1]-binVector[i-1]);
407 } 460 }
408 secDerivative[0] = 0.5 * (u[0] - secDerivati << 461 secDerivative[n] = secDerivative[n-1];
409 << 462 secDerivative[0] = secDerivative[1];
410 delete[] u; <<
411 } 463 }
412 464
413 // ------------------------------------------- 465 // --------------------------------------------------------------
>> 466
>> 467 G4bool G4PhysicsVector::SplinePossible()
>> 468 // Initialise second derivative array. If neighbor energy coincide
>> 469 // or not ordered than spline cannot be applied
>> 470 {
>> 471 secDerivative.clear();
>> 472 if(!useSpline) { return useSpline; }
>> 473 secDerivative.reserve(numberOfNodes);
>> 474 for(size_t j=0; j<numberOfNodes; ++j)
>> 475 {
>> 476 secDerivative.push_back(0.0);
>> 477 if(j > 0)
>> 478 {
>> 479 if(binVector[j]-binVector[j-1] <= 0.) { useSpline = false; }
>> 480 }
>> 481 }
>> 482 return useSpline;
>> 483 }
>> 484
>> 485 // --------------------------------------------------------------
>> 486
414 std::ostream& operator<<(std::ostream& out, co 487 std::ostream& operator<<(std::ostream& out, const G4PhysicsVector& pv)
415 { 488 {
416 // binning 489 // binning
417 G4long prec = out.precision(); << 490 out << std::setprecision(12) << pv.edgeMin << " "
418 out << std::setprecision(12) << pv.edgeMin < << 491 << pv.edgeMax << " " << pv.numberOfNodes << G4endl;
419 << pv.numberOfNodes << G4endl; <<
420 492
421 // contents 493 // contents
422 out << pv.dataVector.size() << G4endl; << 494 out << pv.dataVector.size() << G4endl;
423 for (std::size_t i = 0; i < pv.dataVector.si << 495 for(size_t i = 0; i < pv.dataVector.size(); i++)
424 { 496 {
425 out << pv.binVector[i] << " " << pv.dataV 497 out << pv.binVector[i] << " " << pv.dataVector[i] << G4endl;
426 } 498 }
427 out.precision(prec); << 499 out << std::setprecision(6);
428 500
429 return out; 501 return out;
430 } 502 }
431 503
432 //-------------------------------------------- 504 //---------------------------------------------------------------
433 G4double G4PhysicsVector::GetEnergy(const G4do << 505
>> 506 void G4PhysicsVector::ComputeValue(G4double theEnergy)
434 { 507 {
435 if (0 == numberOfNodes) << 508 // Use cache for speed up - check if the value 'theEnergy' lies
436 { << 509 // between the last energy and low edge of of the
437 return 0.0; << 510 // bin of last call, then the last bin location is used.
438 } << 511
439 if (1 == numberOfNodes || val <= dataVector[ << 512 if( theEnergy < cache->lastEnergy
440 { << 513 && theEnergy >= binVector[cache->lastBin]) {
441 return edgeMin; << 514 cache->lastEnergy = theEnergy;
442 } << 515 Interpolation(cache->lastBin);
443 if (val >= dataVector[numberOfNodes - 1]) << 516
444 { << 517 } else if( theEnergy <= edgeMin ) {
445 return edgeMax; << 518 cache->lastBin = 0;
446 } << 519 cache->lastEnergy = edgeMin;
447 std::size_t bin = std::lower_bound(dataVecto << 520 cache->lastValue = dataVector[0];
448 - dataVector.cbegin() - 1; << 521
449 if (bin > idxmax) { bin = idxmax; } << 522 } else if( theEnergy >= edgeMax ) {
450 G4double res = binVector[bin]; << 523 cache->lastBin = numberOfNodes-1;
451 G4double del = dataVector[bin + 1] - dataVec << 524 cache->lastEnergy = edgeMax;
452 if (del > 0.0) << 525 cache->lastValue = dataVector[cache->lastBin];
453 { << 526
454 res += (val - dataVector[bin]) * (binVecto << 527 } else {
>> 528 cache->lastBin = FindBinLocation(theEnergy);
>> 529 cache->lastEnergy = theEnergy;
>> 530 Interpolation(cache->lastBin);
455 } 531 }
456 return res; <<
457 } 532 }
458 533
459 //-------------------------------------------- <<
460 void G4PhysicsVector::PrintPutValueError(std:: <<
461 G4dou <<
462 const <<
463 { <<
464 G4ExceptionDescription ed; <<
465 ed << "Vector type: " << type << " length= " <<
466 << "; an attempt to put data at index= " <<
467 << " value= " << val << " in " << text; <<
468 G4Exception("G4PhysicsVector:", "gl0005", <<
469 FatalException, ed, "Wrong opera <<
470 } <<
471 <<
472 //-------------------------------------------- <<
473 534