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Geant4/materials/src/G4ExtDEDXTable.cc

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  1 //
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 24 // ********************************************************************
 25 
 26 // ===========================================================================
 27 // GEANT4 class source file
 28 //
 29 // Class:                G4ExtDEDXTable
 30 //
 31 // Base class:           G4VIonDEDXTable
 32 //
 33 // Author:               Anton Lechner (Anton.Lechner@cern.ch)
 34 //
 35 // First implementation: 29. 02. 2009
 36 //
 37 // Modifications:
 38 // 03.11.2009 A. Lechner:  Added new methods BuildPhysicsVector according
 39 //            to interface changes in base class G4VIonDEDXTable.
 40 // 25.10.2010 V.Ivanchenko fixed bug in usage of iterators reported by the
 41 //            Coverity tool
 42 // 01.11.2010 V.Ivanchenko fixed remaining bugs reported by Coverity
 43 //
 44 //
 45 // Class description:
 46 //    Utility class for users to add their own electronic stopping powers
 47 //    for ions. This class is dedicated for use with G4IonParametrisedLossModel
 48 //    of the low-energy electromagnetic package.
 49 //
 50 // Comments:
 51 //
 52 // ===========================================================================
 53 
 54 #include "G4ExtDEDXTable.hh"
 55 
 56 #include "G4PhysicsFreeVector.hh"
 57 #include "G4PhysicsLinearVector.hh"
 58 #include "G4PhysicsLogVector.hh"
 59 #include "G4PhysicsVector.hh"
 60 #include "G4PhysicsVectorType.hh"
 61 
 62 #include <fstream>
 63 #include <iomanip>
 64 #include <sstream>
 65 
 66 // #########################################################################
 67 
 68 G4ExtDEDXTable::~G4ExtDEDXTable() { ClearTable(); }
 69 
 70 // #########################################################################
 71 
 72 G4bool G4ExtDEDXTable::BuildPhysicsVector(G4int ionZ, G4int matZ)
 73 {
 74   return IsApplicable(ionZ, matZ);
 75 }
 76 
 77 // #########################################################################
 78 
 79 G4bool G4ExtDEDXTable::BuildPhysicsVector(G4int ionZ, const G4String& matName)
 80 {
 81   return IsApplicable(ionZ, matName);
 82 }
 83 
 84 // #########################################################################
 85 
 86 G4bool G4ExtDEDXTable::IsApplicable(G4int atomicNumberIon,  // Atomic number of ion
 87   G4int atomicNumberElem  // Atomic number of elemental material
 88 )
 89 {
 90   G4IonDEDXKeyElem key = std::make_pair(atomicNumberIon, atomicNumberElem);
 91 
 92   auto iter = dedxMapElements.find(key);
 93 
 94   return iter != dedxMapElements.end();
 95 }
 96 
 97 // #########################################################################
 98 
 99 G4bool G4ExtDEDXTable::IsApplicable(G4int atomicNumberIon,  // Atomic number of ion
100   const G4String& matIdentifier  // Name or chemical formula of material
101 )
102 {
103   G4IonDEDXKeyMat key = std::make_pair(atomicNumberIon, matIdentifier);
104 
105   auto iter = dedxMapMaterials.find(key);
106 
107   return iter != dedxMapMaterials.end();
108 }
109 
110 // #########################################################################
111 
112 G4PhysicsVector* G4ExtDEDXTable::GetPhysicsVector(G4int atomicNumberIon,  // Atomic number of ion
113   G4int atomicNumberElem  // Atomic number of elemental material
114 )
115 {
116   G4IonDEDXKeyElem key = std::make_pair(atomicNumberIon, atomicNumberElem);
117 
118   auto iter = dedxMapElements.find(key);
119 
120   return (iter != dedxMapElements.end()) ? iter->second : nullptr;
121 }
122 
123 // #########################################################################
124 
125 G4PhysicsVector* G4ExtDEDXTable::GetPhysicsVector(G4int atomicNumberIon,  // Atomic number of ion
126   const G4String& matIdentifier  // Name or chemical formula of material
127 )
128 {
129   G4IonDEDXKeyMat key = std::make_pair(atomicNumberIon, matIdentifier);
130 
131   auto iter = dedxMapMaterials.find(key);
132 
133   return (iter != dedxMapMaterials.end()) ? iter->second : nullptr;
134 }
135 
136 // #########################################################################
137 
138 G4double G4ExtDEDXTable::GetDEDX(G4double kinEnergyPerNucleon,  // Kinetic energy per nucleon
139   G4int atomicNumberIon,  // Atomic number of ion
140   G4int atomicNumberElem  // Atomic number of elemental material
141 )
142 {
143   G4IonDEDXKeyElem key = std::make_pair(atomicNumberIon, atomicNumberElem);
144 
145   auto iter = dedxMapElements.find(key);
146 
147   return (iter != dedxMapElements.end()) ? (iter->second)->Value(kinEnergyPerNucleon) : 0.0;
148 }
149 
150 // #########################################################################
151 
152 G4double G4ExtDEDXTable::GetDEDX(G4double kinEnergyPerNucleon,  // Kinetic energy per nucleon
153   G4int atomicNumberIon,  // Atomic number of ion
154   const G4String& matIdentifier  // Name or chemical formula of material
155 )
156 {
157   G4IonDEDXKeyMat key = std::make_pair(atomicNumberIon, matIdentifier);
158 
159   auto iter = dedxMapMaterials.find(key);
160 
161   return (iter != dedxMapMaterials.end()) ? (iter->second)->Value(kinEnergyPerNucleon) : 0.0;
162 }
163 
164 // #########################################################################
165 
166 G4bool G4ExtDEDXTable::AddPhysicsVector(G4PhysicsVector* physicsVector,  // Physics vector
167   G4int atomicNumberIon,  // Atomic number of ion
168   const G4String& matIdentifier,  // Name of elemental material
169   G4int atomicNumberElem  // Atomic number of elemental material
170 )
171 {
172   if (physicsVector == nullptr) {
173     G4Exception("G4ExtDEDXTable::AddPhysicsVector() for material", "mat037", FatalException,
174       "Pointer to vector is null-pointer.");
175     return false;
176   }
177 
178   if (matIdentifier.empty()) {
179     G4Exception("G4ExtDEDXTable::AddPhysicsVector() for material", "mat038", FatalException,
180       "Invalid name of the material.");
181     return false;
182   }
183 
184   if (atomicNumberIon <= 2) {
185     G4Exception("G4ExtDEDXTable::AddPhysicsVector() for material", "mat039", FatalException,
186       "Illegal atomic number.");
187     return false;
188   }
189 
190   if (atomicNumberElem > 0) {
191     G4IonDEDXKeyElem key = std::make_pair(atomicNumberIon, atomicNumberElem);
192 
193     if (dedxMapElements.count(key) == 1) {
194       G4Exception("G4ExtDEDXTable::AddPhysicsVector() for material", "mat037", FatalException,
195         "Vector already exist, remove it before replacing.");
196       return false;
197     }
198 
199     dedxMapElements[key] = physicsVector;
200   }
201 
202   G4IonDEDXKeyMat mkey = std::make_pair(atomicNumberIon, matIdentifier);
203 
204   if (dedxMapMaterials.count(mkey) == 1) {
205     G4Exception("G4ExtDEDXTable::AddPhysicsVector() for material", "mat037", FatalException,
206       "Vector already exist, remove it before replacing.");
207     return false;
208   }
209 
210   dedxMapMaterials[mkey] = physicsVector;
211 
212   return true;
213 }
214 
215 // #########################################################################
216 
217 G4bool G4ExtDEDXTable::RemovePhysicsVector(G4int atomicNumberIon,  // Atomic number of ion
218   const G4String& matIdentifier  // Name or chemical formula of material
219 )
220 {
221   G4PhysicsVector* physicsVector = nullptr;
222 
223   // Deleting key of physics vector from material map
224   G4IonDEDXKeyMat key = std::make_pair(atomicNumberIon, matIdentifier);
225 
226   auto iter = dedxMapMaterials.find(key);
227 
228   if (iter == dedxMapMaterials.end()) {
229     G4Exception("G4ExtDEDXTable::RemovePhysicsVector() for material", "mat037", FatalException,
230       "Pointer to vector is null-pointer.");
231     return false;
232   }
233 
234   physicsVector = (*iter).second;
235   dedxMapMaterials.erase(key);
236 
237   // Deleting key of physics vector from elemental material map (if it exists)
238   G4IonDEDXMapElem::iterator it;
239 
240   for (it = dedxMapElements.begin(); it != dedxMapElements.end(); ++it) {
241     if ((*it).second == physicsVector) {
242       dedxMapElements.erase(it);
243       break;
244     }
245   }
246 
247   // Deleting physics vector
248   delete physicsVector;
249 
250   return true;
251 }
252 
253 // #########################################################################
254 
255 G4bool G4ExtDEDXTable::StorePhysicsTable(const G4String& fileName  // File name
256 )
257 {
258   G4bool success = true;
259 
260   std::ofstream ofilestream;
261 
262   ofilestream.open(fileName, std::ios::out);
263 
264   if (! ofilestream) {
265     G4ExceptionDescription ed;
266     ed << "Cannot open file " << fileName;
267     G4Exception("G4IonStoppingData::StorePhysicsTable()", "mat030", FatalException, ed);
268     success = false;
269   }
270   else {
271     size_t nmbMatTables = dedxMapMaterials.size();
272 
273     ofilestream << nmbMatTables << G4endl << G4endl;
274 
275     auto iterMat = dedxMapMaterials.begin();
276     auto iterMat_end = dedxMapMaterials.end();
277 
278     for (; iterMat != iterMat_end; iterMat++) {
279       G4IonDEDXKeyMat key = iterMat->first;
280       G4PhysicsVector* physicsVector = iterMat->second;
281 
282       G4int atomicNumberIon = key.first;
283       G4String matIdentifier = key.second;
284 
285       G4int atomicNumberElem = FindAtomicNumberElement(physicsVector);
286 
287       if (physicsVector != nullptr) {
288         ofilestream << atomicNumberIon << "  " << matIdentifier;
289 
290         if (atomicNumberElem > 0) {
291           ofilestream << "  " << atomicNumberElem;
292         }
293 
294         ofilestream << "  # <Atomic number ion>  <Material name>  ";
295 
296         if (atomicNumberElem > 0) {
297           ofilestream << "<Atomic number element>";
298         }
299 
300         ofilestream << G4endl << physicsVector->GetType() << G4endl;
301 
302         physicsVector->Store(ofilestream, true);
303 
304         ofilestream << G4endl;
305       }
306       else {
307         G4Exception("G4IonStoppingData::StorePhysicsTable()", "mat030", FatalException,
308           "Cannot store vector.");
309       }
310     }
311   }
312 
313   ofilestream.close();
314 
315   return success;
316 }
317 
318 // #########################################################################
319 
320 G4bool G4ExtDEDXTable::RetrievePhysicsTable(const G4String& fileName)
321 {
322   std::ifstream ifilestream;
323   ifilestream.open(fileName, std::ios::in | std::ios::binary);
324   if (! ifilestream) {
325     G4ExceptionDescription ed;
326     ed << "Cannot open file " << fileName;
327     G4Exception("G4IonStoppingData::RetrievePhysicsTable()", "mat030", FatalException, ed);
328     return false;
329   }
330 
331   // std::string::size_type nmbVectors;
332   G4int nmbVectors = 0;
333   ifilestream >> nmbVectors;
334   if (ifilestream.fail() || nmbVectors <= 0) {
335     G4cout << "G4ExtDEDXTable::RetrievePhysicsTable() "
336            << " File content of " << fileName << " ill-formated."
337            << " Nvectors= " << nmbVectors << G4endl;
338     ifilestream.close();
339     return false;
340   }
341 
342   for (G4int i = 0; i < nmbVectors; ++i) {
343     G4String line = "";
344     // Loop checking, 07-Aug-2015, Vladimir Ivanchenko
345     while (line.empty()) {
346       getline(ifilestream, line);
347       if (ifilestream.fail()) {
348         G4cout << "G4ExtDEDXTable::RetrievePhysicsTable() "
349                << " File content of " << fileName << " ill-formated." << G4endl;
350         ifilestream.close();
351         return false;
352       }
353 
354       std::string::size_type pos = line.find_first_of('#');
355       if (pos != std::string::npos && pos > 0) {
356         line = line.substr(0, pos);
357       }
358     }
359 
360     std::istringstream headerstream(line);
361 
362     std::string::size_type atomicNumberIon;
363     headerstream >> atomicNumberIon;
364 
365     G4String materialName;
366     headerstream >> materialName;
367 
368     if (headerstream.fail() || std::string::npos == atomicNumberIon) {
369       G4cout << "G4ExtDEDXTable::RetrievePhysicsTable() "
370              << " File content of " << fileName << " ill-formated "
371              << " (vector header)." << G4endl;
372       ifilestream.close();
373       return false;
374     }
375 
376     std::string::size_type atomicNumberMat;
377     headerstream >> atomicNumberMat;
378 
379     if (headerstream.eof() || std::string::npos == atomicNumberMat) {
380       atomicNumberMat = 0;
381     }
382 
383     G4int vectorType;
384     ifilestream >> vectorType;
385 
386     G4PhysicsVector* physicsVector = CreatePhysicsVector(vectorType);
387 
388     if (physicsVector == nullptr) {
389       G4cout << "G4ExtDEDXTable::RetrievePhysicsTable  "
390              << " illegal physics Vector type " << vectorType << " in  " << fileName << G4endl;
391       ifilestream.close();
392       return false;
393     }
394 
395     if (! physicsVector->Retrieve(ifilestream, true)) {
396       G4cout << "G4ExtDEDXTable::RetrievePhysicsTable() "
397              << " File content of " << fileName << " ill-formated." << G4endl;
398       ifilestream.close();
399       return false;
400     }
401     physicsVector->FillSecondDerivatives();
402 
403     // Retrieved vector is added to material store
404     if (! AddPhysicsVector(
405           physicsVector, (G4int)atomicNumberIon, materialName, (G4int)atomicNumberMat))
406     {
407       delete physicsVector;
408       ifilestream.close();
409       return false;
410     }
411   }
412 
413   ifilestream.close();
414 
415   return true;
416 }
417 
418 // #########################################################################
419 
420 G4PhysicsVector* G4ExtDEDXTable::CreatePhysicsVector(G4int vectorType)
421 {
422   G4PhysicsVector* physicsVector = nullptr;
423 
424   switch (vectorType) {
425     case T_G4PhysicsLinearVector:
426       physicsVector = new G4PhysicsLinearVector(true);
427       break;
428 
429     case T_G4PhysicsLogVector:
430       physicsVector = new G4PhysicsLogVector(true);
431       break;
432 
433     case T_G4PhysicsFreeVector:
434       physicsVector = new G4PhysicsFreeVector(true);
435       break;
436 
437     default:
438       break;
439   }
440   return physicsVector;
441 }
442 
443 // #########################################################################
444 
445 G4int G4ExtDEDXTable::FindAtomicNumberElement(G4PhysicsVector* physicsVector)
446 {
447   G4int atomicNumber = 0;
448 
449   auto iter = dedxMapElements.begin();
450   auto iter_end = dedxMapElements.end();
451 
452   for (; iter != iter_end; ++iter) {
453     if ((*iter).second == physicsVector) {
454       G4IonDEDXKeyElem key = (*iter).first;
455       atomicNumber = key.second;
456     }
457   }
458 
459   return atomicNumber;
460 }
461 
462 // #########################################################################
463 
464 void G4ExtDEDXTable::ClearTable()
465 {
466   auto iterMat = dedxMapMaterials.begin();
467   auto iterMat_end = dedxMapMaterials.end();
468 
469   for (; iterMat != iterMat_end; ++iterMat) {
470     G4PhysicsVector* vec = iterMat->second;
471 
472     delete vec;
473   }
474 
475   dedxMapElements.clear();
476   dedxMapMaterials.clear();
477 }
478 
479 // #########################################################################
480 
481 void G4ExtDEDXTable::DumpMap()
482 {
483   auto iterMat = dedxMapMaterials.begin();
484   auto iterMat_end = dedxMapMaterials.end();
485 
486   G4cout << std::setw(15) << std::right << "Atomic nmb ion" << std::setw(25) << std::right
487          << "Material name" << std::setw(25) << std::right << "Atomic nmb material" << G4endl;
488 
489   for (; iterMat != iterMat_end; ++iterMat) {
490     G4IonDEDXKeyMat key = iterMat->first;
491     G4PhysicsVector* physicsVector = iterMat->second;
492 
493     G4int atomicNumberIon = key.first;
494     G4String matIdentifier = key.second;
495 
496     G4int atomicNumberElem = FindAtomicNumberElement(physicsVector);
497 
498     if (physicsVector != nullptr) {
499       G4cout << std::setw(15) << std::right << atomicNumberIon << std::setw(25) << std::right
500              << matIdentifier << std::setw(25) << std::right;
501 
502       if (atomicNumberElem > 0) {
503         G4cout << atomicNumberElem;
504       }
505       else {
506         G4cout << "N/A";
507       }
508 
509       G4cout << G4endl;
510     }
511   }
512 }
513 
514 // #########################################################################
515