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25 // 25 //
26 // G4PhysicsVector class implementation <<
27 // 26 //
28 // Authors: << 27 // $Id: G4PhysicsVector.cc,v 1.41 2009/12/07 09:21:27 vnivanch Exp $
29 // - 02 Dec. 1995, G.Cosmo: Structure created << 28 // GEANT4 tag $Name: geant4-09-03-patch-01 $
30 // - 03 Mar. 1996, K.Amako: Implemented the 1s << 29 //
31 // Revisions: << 30 //
32 // - 11 Nov. 2000, H.Kurashige: Use STL vector << 31 // --------------------------------------------------------------
33 // ------------------------------------------- << 32 // GEANT 4 class implementation file
>> 33 //
>> 34 // G4PhysicsVector.cc
>> 35 //
>> 36 // History:
>> 37 // 02 Dec. 1995, G.Cosmo : Structure created based on object model
>> 38 // 03 Mar. 1996, K.Amako : Implemented the 1st version
>> 39 // 01 Jul. 1996, K.Amako : Hidden bin from the user introduced
>> 40 // 12 Nov. 1998, K.Amako : A bug in GetVectorLength() fixed
>> 41 // 11 Nov. 2000, H.Kurashige : use STL vector for dataVector and binVector
>> 42 // 18 Jan. 2001, H.Kurashige : removed ptrNextTable
>> 43 // 09 Mar. 2001, H.Kurashige : added G4PhysicsVector type
>> 44 // 05 Sep. 2008, V.Ivanchenko : added protections for zero-length vector
>> 45 // 11 May 2009, A.Bagulya : added new implementation of methods
>> 46 // ComputeSecondDerivatives - first derivatives at edge points
>> 47 // should be provided by a user
>> 48 // FillSecondDerivatives - default computation base on "not-a-knot"
>> 49 // algorithm
>> 50 // 19 Jun. 2009, V.Ivanchenko : removed hidden bin
>> 51 // --------------------------------------------------------------
34 52
35 #include "G4PhysicsVector.hh" 53 #include "G4PhysicsVector.hh"
36 #include <iomanip> 54 #include <iomanip>
37 55
38 // ------------------------------------------- 56 // --------------------------------------------------------------
39 G4PhysicsVector::G4PhysicsVector(G4bool val) << 57
40 : useSpline(val) << 58 G4PhysicsVector::G4PhysicsVector(G4bool spline)
>> 59 : type(T_G4PhysicsVector),
>> 60 edgeMin(0.), edgeMax(0.), numberOfNodes(0),
>> 61 lastEnergy(-DBL_MAX), lastValue(0.), lastBin(0), useSpline(spline)
>> 62 {}
>> 63
>> 64 // --------------------------------------------------------------
>> 65
>> 66 G4PhysicsVector::~G4PhysicsVector()
41 {} 67 {}
42 68
43 // ------------------------------------------- << 69 // --------------------------------------------------------------
44 void G4PhysicsVector::Initialise() << 70
>> 71 G4PhysicsVector::G4PhysicsVector(const G4PhysicsVector& right)
45 { 72 {
46 if (1 < numberOfNodes) << 73 CopyData(right);
47 { << 74 }
48 idxmax = numberOfNodes - 2; << 75
49 edgeMin = binVector[0]; << 76 // --------------------------------------------------------------
50 edgeMax = binVector[idxmax + 1]; << 77
51 } << 78 G4PhysicsVector& G4PhysicsVector::operator=(const G4PhysicsVector& right)
>> 79 {
>> 80 if (&right==this) { return *this; }
>> 81 if (type != right.type) { return *this; }
>> 82
>> 83 //DeleteData();
>> 84 CopyData(right);
>> 85
>> 86 return *this;
>> 87 }
>> 88
>> 89 // --------------------------------------------------------------
>> 90
>> 91 G4int G4PhysicsVector::operator==(const G4PhysicsVector &right) const
>> 92 {
>> 93 return (this == &right);
>> 94 }
>> 95
>> 96 // --------------------------------------------------------------
>> 97
>> 98 G4int G4PhysicsVector::operator!=(const G4PhysicsVector &right) const
>> 99 {
>> 100 return (this != &right);
>> 101 }
>> 102
>> 103 // --------------------------------------------------------------
>> 104
>> 105 void G4PhysicsVector::DeleteData()
>> 106 {
>> 107 secDerivative.clear();
>> 108 }
>> 109
>> 110 // --------------------------------------------------------------
>> 111
>> 112 void G4PhysicsVector::CopyData(const G4PhysicsVector& vec)
>> 113 {
>> 114 type = vec.type;
>> 115 edgeMin = vec.edgeMin;
>> 116 edgeMax = vec.edgeMax;
>> 117 numberOfNodes = vec.numberOfNodes;
>> 118 lastEnergy = vec.lastEnergy;
>> 119 lastValue = vec.lastValue;
>> 120 lastBin = vec.lastBin;
>> 121 dataVector = vec.dataVector;
>> 122 binVector = vec.binVector;
>> 123 useSpline = vec.useSpline;
>> 124 comment = vec.comment;
>> 125 secDerivative = vec.secDerivative;
>> 126 }
>> 127
>> 128 // --------------------------------------------------------------
>> 129
>> 130 G4double G4PhysicsVector::GetLowEdgeEnergy(size_t binNumber) const
>> 131 {
>> 132 return binVector[binNumber];
52 } 133 }
53 134
54 // ------------------------------------------- 135 // --------------------------------------------------------------
55 G4bool G4PhysicsVector::Store(std::ofstream& f << 136
>> 137 G4bool G4PhysicsVector::Store(std::ofstream& fOut, G4bool ascii)
56 { 138 {
57 // Ascii mode 139 // Ascii mode
58 if (ascii) 140 if (ascii)
59 { 141 {
60 fOut << *this; 142 fOut << *this;
61 return true; 143 return true;
62 } << 144 }
63 // Binary Mode 145 // Binary Mode
64 146
65 // binning 147 // binning
66 fOut.write((char*) (&edgeMin), sizeof edgeMi << 148 fOut.write((char*)(&edgeMin), sizeof edgeMin);
67 fOut.write((char*) (&edgeMax), sizeof edgeMa << 149 fOut.write((char*)(&edgeMax), sizeof edgeMax);
68 fOut.write((char*) (&numberOfNodes), sizeof << 150 fOut.write((char*)(&numberOfNodes), sizeof numberOfNodes);
69 151
70 // contents 152 // contents
71 std::size_t size = dataVector.size(); << 153 size_t size = dataVector.size();
72 fOut.write((char*) (&size), sizeof size); << 154 fOut.write((char*)(&size), sizeof size);
73 155
74 auto value = new G4double[2 * size]; << 156 G4double* value = new G4double[2*size];
75 for (std::size_t i = 0; i < size; ++i) << 157 for(size_t i = 0; i < size; ++i)
76 { 158 {
77 value[2 * i] = binVector[i]; << 159 value[2*i] = binVector[i];
78 value[2 * i + 1] = dataVector[i]; << 160 value[2*i+1]= dataVector[i];
79 } 161 }
80 fOut.write((char*) (value), 2 * size * (size << 162 fOut.write((char*)(value), 2*size*(sizeof (G4double)));
81 delete[] value; << 163 delete [] value;
82 164
83 return true; 165 return true;
84 } 166 }
85 167
86 // ------------------------------------------- 168 // --------------------------------------------------------------
>> 169
87 G4bool G4PhysicsVector::Retrieve(std::ifstream 170 G4bool G4PhysicsVector::Retrieve(std::ifstream& fIn, G4bool ascii)
88 { 171 {
89 // clear properties; 172 // clear properties;
>> 173 lastEnergy=-DBL_MAX;
>> 174 lastValue =0.;
>> 175 lastBin =0;
90 dataVector.clear(); 176 dataVector.clear();
91 binVector.clear(); 177 binVector.clear();
92 secDerivative.clear(); 178 secDerivative.clear();
>> 179 comment = "";
93 180
94 // retrieve in ascii mode 181 // retrieve in ascii mode
95 if (ascii) 182 if (ascii)
96 { 183 {
97 // binning 184 // binning
98 fIn >> edgeMin >> edgeMax >> numberOfNodes << 185 fIn >> edgeMin >> edgeMax >> numberOfNodes;
99 if (fIn.fail() || numberOfNodes < 2) << 186 if (fIn.fail()) { return false; }
100 { <<
101 return false; <<
102 } <<
103 // contents 187 // contents
104 G4int siz0 = 0; << 188 size_t size=0;
105 fIn >> siz0; << 189 fIn >> size;
106 if (siz0 < 2) { return false; } << 190 if (fIn.fail()) { return false; }
107 auto siz = static_cast<std::size_t>(siz0); <<
108 if (fIn.fail() || siz != numberOfNodes) <<
109 { <<
110 return false; <<
111 } <<
112 191
113 binVector.reserve(siz); << 192 binVector.reserve(size);
114 dataVector.reserve(siz); << 193 dataVector.reserve(size);
115 G4double vBin, vData; 194 G4double vBin, vData;
116 195
117 for (std::size_t i = 0; i < siz; ++i) << 196 for(size_t i = 0; i < size ; i++)
118 { 197 {
119 vBin = 0.; << 198 vBin = 0.;
120 vData = 0.; << 199 vData= 0.;
121 fIn >> vBin >> vData; 200 fIn >> vBin >> vData;
122 if (fIn.fail()) << 201 if (fIn.fail()) { return false; }
123 { <<
124 return false; <<
125 } <<
126 binVector.push_back(vBin); 202 binVector.push_back(vBin);
127 dataVector.push_back(vData); 203 dataVector.push_back(vData);
128 } 204 }
129 Initialise(); << 205 return true ;
130 return true; <<
131 } 206 }
132 207
133 // retrieve in binary mode 208 // retrieve in binary mode
134 // binning 209 // binning
135 fIn.read((char*) (&edgeMin), sizeof edgeMin) << 210 fIn.read((char*)(&edgeMin), sizeof edgeMin);
136 fIn.read((char*) (&edgeMax), sizeof edgeMax) << 211 fIn.read((char*)(&edgeMax), sizeof edgeMax);
137 fIn.read((char*) (&numberOfNodes), sizeof nu << 212 fIn.read((char*)(&numberOfNodes), sizeof numberOfNodes );
138 << 213
139 // contents 214 // contents
140 std::size_t size; << 215 size_t size;
141 fIn.read((char*) (&size), sizeof size); << 216 fIn.read((char*)(&size), sizeof size);
142 << 217
143 auto value = new G4double[2 * size]; << 218 G4double* value = new G4double[2*size];
144 fIn.read((char*) (value), 2 * size * (sizeof << 219 fIn.read((char*)(value), 2*size*(sizeof(G4double)) );
145 if (static_cast<G4int>(fIn.gcount()) != stat << 220 if (G4int(fIn.gcount()) != G4int(2*size*(sizeof(G4double))) )
146 { 221 {
147 delete[] value; << 222 delete [] value;
148 return false; 223 return false;
149 } 224 }
150 225
151 binVector.reserve(size); 226 binVector.reserve(size);
152 dataVector.reserve(size); 227 dataVector.reserve(size);
153 for (std::size_t i = 0; i < size; ++i) << 228 for(size_t i = 0; i < size; ++i)
154 { 229 {
155 binVector.push_back(value[2 * i]); << 230 binVector.push_back(value[2*i]);
156 dataVector.push_back(value[2 * i + 1]); << 231 dataVector.push_back(value[2*i+1]);
157 } 232 }
158 delete[] value; << 233 delete [] value;
159 <<
160 Initialise(); <<
161 return true; 234 return true;
162 } 235 }
163 236
164 // ------------------------------------------- 237 // --------------------------------------------------------------
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 } <<
173 238
174 // ------------------------------------------- << 239 void
175 std::size_t G4PhysicsVector::FindBin(const G4d << 240 G4PhysicsVector::ScaleVector(G4double factorE, G4double factorV)
176 std::size <<
177 { 241 {
178 if (idx + 1 < numberOfNodes && << 242 size_t n = dataVector.size();
179 energy >= binVector[idx] && energy <= bi << 243 size_t i;
180 { << 244 if(n > 0) {
181 return idx; << 245 for(i=0; i<n; ++i) {
182 } << 246 binVector[i] *= factorE;
183 if (energy <= binVector[1]) << 247 dataVector[i] *= factorV;
184 { << 248 }
185 return 0; << 249 }
186 } << 250 n = secDerivative.size();
187 if (energy >= binVector[idxmax]) << 251 if(n > 0) { for(i=0; i<n; ++i) { secDerivative[i] *= factorV; } }
188 { << 252
189 return idxmax; << 253 edgeMin *= factorE;
190 } << 254 edgeMax *= factorE;
191 return GetBin(energy); << 255 lastEnergy *= factorE;
>> 256 lastValue *= factorV;
192 } 257 }
193 258
194 // ------------------------------------------- << 259 // --------------------------------------------------------------
195 void G4PhysicsVector::ScaleVector(const G4doub <<
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 } <<
205 260
206 // ------------------------------------------- << 261 void
207 void G4PhysicsVector::FillSecondDerivatives(co << 262 G4PhysicsVector::ComputeSecondDerivatives(G4double firstPointDerivative,
208 const G4double dir1, << 263 G4double endPointDerivative)
209 const G4double dir2) << 264 // A standard method of computation of second derivatives
>> 265 // First derivatives at the first and the last point should be provided
>> 266 // See for example W.H. Press et al. "Numerical reciptes and C"
>> 267 // Cambridge University Press, 1997.
210 { 268 {
211 if (!useSpline) { return; } << 269 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 { 270 {
216 if (0 < verboseLevel) << 271 ComputeSecDerivatives();
217 { <<
218 G4cout << "### G4PhysicsVector: spline c <<
219 << numberOfNodes << " points - spline d <<
220 << G4endl; <<
221 DumpValues(); <<
222 } <<
223 useSpline = false; <<
224 return; 272 return;
225 } 273 }
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 } <<
246 274
247 // spline is possible << 275 if(!SplinePossible()) { return; }
248 Initialise(); <<
249 secDerivative.resize(numberOfNodes); <<
250 276
251 if (1 < verboseLevel) << 277 G4int n = numberOfNodes-1;
252 { <<
253 G4cout << "### G4PhysicsVector:: FillSecon <<
254 << numberOfNodes << G4endl; <<
255 DumpValues(); <<
256 } <<
257 278
258 switch(stype) << 279 G4double* u = new G4double [n];
259 { << 280
260 case G4SplineType::Base: << 281 G4double p, sig, un;
261 ComputeSecDerivative1(); <<
262 break; <<
263 282
264 case G4SplineType::FixedEdges: << 283 u[0] = (6.0/(binVector[1]-binVector[0]))
265 ComputeSecDerivative2(dir1, dir2); << 284 * ((dataVector[1]-dataVector[0])/(binVector[1]-binVector[0])
266 break; << 285 - firstPointDerivative);
>> 286
>> 287 secDerivative[0] = - 0.5;
267 288
268 default: << 289 // Decomposition loop for tridiagonal algorithm. secDerivative[i]
269 ComputeSecDerivative0(); << 290 // and u[i] are used for temporary storage of the decomposed factors.
>> 291
>> 292 for(G4int i=1; i<n; ++i)
>> 293 {
>> 294 sig = (binVector[i]-binVector[i-1]) / (binVector[i+1]-binVector[i-1]);
>> 295 p = sig*secDerivative[i-1] + 2.0;
>> 296 secDerivative[i] = (sig - 1.0)/p;
>> 297 u[i] = (dataVector[i+1]-dataVector[i])/(binVector[i+1]-binVector[i])
>> 298 - (dataVector[i]-dataVector[i-1])/(binVector[i]-binVector[i-1]);
>> 299 u[i] = 6.0*u[i]/(binVector[i+1]-binVector[i-1]) - sig*u[i-1]/p;
>> 300 }
>> 301
>> 302 sig = (binVector[n-1]-binVector[n-2]) / (binVector[n]-binVector[n-2]);
>> 303 p = sig*secDerivative[n-2] + 2.0;
>> 304 un = (6.0/(binVector[n]-binVector[n-1]))
>> 305 *(endPointDerivative -
>> 306 (dataVector[n]-dataVector[n-1])/(binVector[n]-binVector[n-1])) - u[n-1]/p;
>> 307 secDerivative[n] = un/(secDerivative[n-1] + 2.0);
>> 308
>> 309 // The back-substitution loop for the triagonal algorithm of solving
>> 310 // a linear system of equations.
>> 311
>> 312 for(G4int k=n-1; k>0; --k)
>> 313 {
>> 314 secDerivative[k] *=
>> 315 (secDerivative[k+1] -
>> 316 u[k]*(binVector[k+1]-binVector[k-1])/(binVector[k+1]-binVector[k]));
270 } 317 }
>> 318 secDerivative[0] = 0.5*(u[0] - secDerivative[1]);
>> 319
>> 320 delete [] u;
271 } 321 }
272 322
273 // ------------------------------------------- 323 // --------------------------------------------------------------
274 void G4PhysicsVector::ComputeSecDerivative0() <<
275 // A simplified method of computation of seco <<
276 { <<
277 std::size_t n = numberOfNodes - 1; <<
278 324
279 for (std::size_t i = 1; i < n; ++i) << 325 void G4PhysicsVector::FillSecondDerivatives()
>> 326 // Computation of second derivatives using "Not-a-knot" endpoint conditions
>> 327 // B.I. Kvasov "Methods of shape-preserving spline approximation"
>> 328 // World Scientific, 2000
>> 329 {
>> 330 if(5 > numberOfNodes) // cannot compute derivatives for less than 4 points
280 { 331 {
281 secDerivative[i] = 3.0 * << 332 ComputeSecDerivatives();
282 ((dataVector[i + 1] - dataVector[i]) / ( << 333 return;
283 (dataVector[i] - dataVector[i - 1]) / <<
284 (binVector[i] - binVector[i - 1])) / <<
285 (binVector[i + 1] - binVector[i - 1]); <<
286 } 334 }
287 secDerivative[n] = secDerivative[n - 1]; <<
288 secDerivative[0] = secDerivative[1]; <<
289 } <<
290 335
291 // ------------------------------------------- << 336 if(!SplinePossible()) { return; }
292 void G4PhysicsVector::ComputeSecDerivative1() << 337
293 // Computation of second derivatives using "No << 338 G4int n = numberOfNodes-1;
294 // B.I. Kvasov "Methods of shape-preserving sp << 339
295 // World Scientific, 2000 << 340 //G4cout << "G4PhysicsVector::FillSecondDerivatives() n= " << n << G4endl;
296 { << 341 // G4cout << *this << G4endl;
297 std::size_t n = numberOfNodes - 1; <<
298 auto u = new G4double[n]; <<
299 G4double p, sig; <<
300 342
301 u[1] = ((dataVector[2] - dataVector[1]) / (b << 343 G4double* u = new G4double [n];
302 (dataVector[1] - dataVector[0]) / (b << 344
303 u[1] = 6.0 * u[1] * (binVector[2] - binVecto << 345 G4double p, sig;
304 ((binVector[2] - binVector[0]) * (bin <<
305 346
>> 347 u[1] = ((dataVector[2]-dataVector[1])/(binVector[2]-binVector[1]) -
>> 348 (dataVector[1]-dataVector[0])/(binVector[1]-binVector[0]));
>> 349 u[1] = 6.0*u[1]*(binVector[2]-binVector[1])
>> 350 / ((binVector[2]-binVector[0])*(binVector[2]-binVector[0]));
>> 351
306 // Decomposition loop for tridiagonal algori 352 // Decomposition loop for tridiagonal algorithm. secDerivative[i]
307 // and u[i] are used for temporary storage o 353 // and u[i] are used for temporary storage of the decomposed factors.
308 354
309 secDerivative[1] = (2.0 * binVector[1] - bin << 355 secDerivative[1] = (2.0*binVector[1]-binVector[0]-binVector[2])
310 (2.0 * binVector[2] - bin << 356 / (2.0*binVector[2]-binVector[0]-binVector[1]);
311 357
312 for(std::size_t i = 2; i < n - 1; ++i) << 358 for(G4int i=2; i<n-1; ++i)
313 { 359 {
314 sig = << 360 sig = (binVector[i]-binVector[i-1]) / (binVector[i+1]-binVector[i-1]);
315 (binVector[i] - binVector[i - 1]) / (bin << 361 p = sig*secDerivative[i-1] + 2.0;
316 p = sig * secDerivative[i - << 362 secDerivative[i] = (sig - 1.0)/p;
317 secDerivative[i] = (sig - 1.0) / p; << 363 u[i] = (dataVector[i+1]-dataVector[i])/(binVector[i+1]-binVector[i])
318 u[i] = << 364 - (dataVector[i]-dataVector[i-1])/(binVector[i]-binVector[i-1]);
319 (dataVector[i + 1] - dataVector[i]) / (b << 365 u[i] = (6.0*u[i]/(binVector[i+1]-binVector[i-1])) - sig*u[i-1]/p;
320 (dataVector[i] - dataVector[i - 1]) / (b << 366 }
321 u[i] = << 367
322 (6.0 * u[i] / (binVector[i + 1] - binVec << 368 sig = (binVector[n-1]-binVector[n-2]) / (binVector[n]-binVector[n-2]);
323 } << 369 p = sig*secDerivative[n-3] + 2.0;
324 << 370 u[n-1] = (dataVector[n]-dataVector[n-1])/(binVector[n]-binVector[n-1])
325 sig = << 371 - (dataVector[n-1]-dataVector[n-2])/(binVector[n-1]-binVector[n-2]);
326 (binVector[n - 1] - binVector[n - 2]) / (b << 372 u[n-1] = 6.0*sig*u[n-1]/(binVector[n]-binVector[n-2])
327 p = sig * secDerivative[n - 3] + 2.0; << 373 - (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; <<
334 374
335 p = (1.0 + sig) + (2.0 * sig - 1.0) * secDer << 375 p = (1.0+sig) + (2.0*sig-1.0)*secDerivative[n-2];
336 secDerivative[n - 1] = u[n - 1] / p; << 376 secDerivative[n-1] = u[n-1]/p;
337 377
338 // The back-substitution loop for the triago 378 // The back-substitution loop for the triagonal algorithm of solving
339 // a linear system of equations. 379 // a linear system of equations.
340 << 380
341 for (std::size_t k = n - 2; k > 1; --k) << 381 for(G4int k=n-2; k>1; --k)
342 { 382 {
343 secDerivative[k] *= << 383 secDerivative[k] *=
344 (secDerivative[k + 1] - u[k] * (binVecto << 384 (secDerivative[k+1] -
345 (binVector[k + << 385 u[k]*(binVector[k+1]-binVector[k-1])/(binVector[k+1]-binVector[k]));
346 } << 386 }
347 secDerivative[n] = << 387 secDerivative[n] = (secDerivative[n-1] - (1.0-sig)*secDerivative[n-2])/sig;
348 (secDerivative[n - 1] - (1.0 - sig) * secD << 388 sig = 1.0 - ((binVector[2]-binVector[1])/(binVector[2]-binVector[0]));
349 sig = 1.0 - ((binVector[2] - binVector[1]) / << 389 secDerivative[1] *= (secDerivative[2] - u[1]/(1.0-sig));
350 secDerivative[1] *= (secDerivative[2] - u[1] << 390 secDerivative[0] = (secDerivative[1] - sig*secDerivative[2])/(1.0-sig);
351 secDerivative[0] = (secDerivative[1] - sig * <<
352 391
353 delete[] u; << 392 delete [] u;
354 } 393 }
355 394
356 // ------------------------------------------- 395 // --------------------------------------------------------------
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 <<
372 secDerivative[0] = -0.5; <<
373 396
374 // Decomposition loop for tridiagonal algori << 397 void
375 // and u[i] are used for temporary storage o << 398 G4PhysicsVector::ComputeSecDerivatives()
>> 399 // A simplified method of computation of second derivatives
>> 400 {
>> 401 if(!SplinePossible()) { return; }
376 402
377 for (std::size_t i = 1; i < n; ++i) << 403 if(3 > numberOfNodes) // cannot compute derivatives for less than 4 bins
378 { 404 {
379 sig = << 405 useSpline = false;
380 (binVector[i] - binVector[i - 1]) / (bin << 406 return;
381 p = sig * (secDerivative[i << 407 }
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 <<
398 408
399 // The back-substitution loop for the triago << 409 size_t n = numberOfNodes-1;
400 // a linear system of equations. <<
401 410
402 for (std::size_t k = n - 1; k > 0; --k) << 411 for(size_t i=1; i<n; ++i)
403 { 412 {
404 secDerivative[k] *= << 413 secDerivative[i] =
405 (secDerivative[k + 1] - u[k] * (binVecto << 414 3.0*((dataVector[i+1]-dataVector[i])/(binVector[i+1]-binVector[i]) -
406 (binVector[k + << 415 (dataVector[i]-dataVector[i-1])/(binVector[i]-binVector[i-1]))
>> 416 /(binVector[i+1]-binVector[i-1]);
407 } 417 }
408 secDerivative[0] = 0.5 * (u[0] - secDerivati << 418 secDerivative[n] = secDerivative[n-1];
409 << 419 secDerivative[0] = secDerivative[1];
410 delete[] u; <<
411 } 420 }
412 421
413 // ------------------------------------------- 422 // --------------------------------------------------------------
>> 423
>> 424 G4bool G4PhysicsVector::SplinePossible()
>> 425 // Initialise second derivative array. If neighbor energy coincide
>> 426 // or not ordered than spline cannot be applied
>> 427 {
>> 428 if(!useSpline) return useSpline;
>> 429 secDerivative.clear();
>> 430 secDerivative.reserve(numberOfNodes);
>> 431 for(size_t j=0; j<numberOfNodes; ++j)
>> 432 {
>> 433 secDerivative.push_back(0.0);
>> 434 if(j > 0)
>> 435 {
>> 436 if(binVector[j]-binVector[j-1] <= 0.) { useSpline = false; }
>> 437 }
>> 438 }
>> 439 return useSpline;
>> 440 }
>> 441
>> 442 // --------------------------------------------------------------
>> 443
414 std::ostream& operator<<(std::ostream& out, co 444 std::ostream& operator<<(std::ostream& out, const G4PhysicsVector& pv)
415 { 445 {
416 // binning 446 // binning
417 G4long prec = out.precision(); << 447 out << std::setprecision(12) << pv.edgeMin;
418 out << std::setprecision(12) << pv.edgeMin < << 448 out <<" " << pv.edgeMax <<" " << pv.numberOfNodes << G4endl;
419 << pv.numberOfNodes << G4endl; <<
420 449
421 // contents 450 // contents
422 out << pv.dataVector.size() << G4endl; << 451 out << pv.dataVector.size() << G4endl;
423 for (std::size_t i = 0; i < pv.dataVector.si << 452 for(size_t i = 0; i < pv.dataVector.size(); i++)
424 { 453 {
425 out << pv.binVector[i] << " " << pv.dataV << 454 out << std::setprecision(12) << pv.binVector[i] << " "
>> 455 << pv.dataVector[i] << G4endl;
426 } 456 }
427 out.precision(prec); <<
428 <<
429 return out; 457 return out;
430 } 458 }
431 <<
432 //-------------------------------------------- <<
433 G4double G4PhysicsVector::GetEnergy(const G4do <<
434 { <<
435 if (0 == numberOfNodes) <<
436 { <<
437 return 0.0; <<
438 } <<
439 if (1 == numberOfNodes || val <= dataVector[ <<
440 { <<
441 return edgeMin; <<
442 } <<
443 if (val >= dataVector[numberOfNodes - 1]) <<
444 { <<
445 return edgeMax; <<
446 } <<
447 std::size_t bin = std::lower_bound(dataVecto <<
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 } <<
458 <<
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 //-------------------------------------------- <<
473 459