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root/OpenMD/branches/development/src/brains/DataStorage.cpp
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Comparing:
trunk/src/brains/DataStorage.cpp (file contents), Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC vs.
branches/development/src/brains/DataStorage.cpp (file contents), Revision 1583 by gezelter, Thu Jun 16 22:00:08 2011 UTC

# Line 101 | Line 101 | namespace OpenMD {
101        //error
102        std::cerr << "size does not match"<< std::endl;        
103      }
104 +
105      if (storageLayout_ & dslParticlePot && particlePot.size() != size_) {
106        //error
107        std::cerr << "size does not match"<< std::endl;        
108      }
109 +
110 +    if (storageLayout_ & dslDensity && density.size() != size_) {
111 +      //error
112 +      std::cerr << "size does not match"<< std::endl;        
113 +    }
114 +
115 +    if (storageLayout_ & dslFunctional && functional.size() != size_) {
116 +      //error
117 +      std::cerr << "size does not match"<< std::endl;        
118 +    }
119 +
120 +    if (storageLayout_ & dslFunctionalDerivative && functionalDerivative.size() != size_) {
121 +      //error
122 +      std::cerr << "size does not match"<< std::endl;        
123 +    }
124 +
125 +    if (storageLayout_ & dslElectricField && electricField.size() != size_) {
126 +      //error
127 +      std::cerr << "size does not match"<< std::endl;        
128 +    }
129      
130      return size_;
131  
# Line 148 | Line 169 | namespace OpenMD {
169        internalResize(particlePot, newSize);
170      }
171  
172 +    if (storageLayout_ & dslDensity) {
173 +      internalResize(density, newSize);
174 +    }
175 +
176 +    if (storageLayout_ & dslFunctional) {
177 +      internalResize(functional, newSize);
178 +    }
179 +
180 +    if (storageLayout_ & dslFunctionalDerivative) {
181 +      internalResize(functionalDerivative, newSize);
182 +    }
183 +
184 +    if (storageLayout_ & dslElectricField) {
185 +      internalResize(electricField, newSize);
186 +    }
187 +
188      size_ = newSize;
189    }
190  
# Line 186 | Line 223 | namespace OpenMD {
223      
224      if (storageLayout_ & dslParticlePot) {
225        particlePot.reserve(size);
226 +    }
227 +
228 +    if (storageLayout_ & dslDensity) {
229 +      density.reserve(size);
230 +    }
231 +
232 +    if (storageLayout_ & dslFunctional) {
233 +      functional.reserve(size);
234 +    }
235 +
236 +    if (storageLayout_ & dslFunctionalDerivative) {
237 +      functionalDerivative.reserve(size);
238 +    }
239 +
240 +    if (storageLayout_ & dslElectricField) {
241 +      electricField.reserve(size);
242      }
243  
244    }
# Line 230 | Line 283 | namespace OpenMD {
283      if (storageLayout_ & dslParticlePot) {
284        internalCopy(particlePot, source, num, target);
285      }
233 –    
286  
287 +    if (storageLayout_ & dslDensity) {
288 +      internalCopy(density, source, num, target);
289 +    }
290 +
291 +    if (storageLayout_ & dslFunctional) {
292 +      internalCopy(functional, source, num, target);
293 +    }
294 +
295 +    if (storageLayout_ & dslFunctionalDerivative) {
296 +      internalCopy(functionalDerivative, source, num, target);
297 +    }
298 +
299 +    if (storageLayout_ & dslElectricField) {
300 +      internalCopy(electricField, source, num, target);
301 +    }
302    }
303  
304    int DataStorage::getStorageLayout() {
# Line 281 | Line 348 | namespace OpenMD {
348      case dslParticlePot:
349        return internalGetArrayPointer(particlePot);
350        break;
351 <            
351 >
352 >    case dslDensity:
353 >      return internalGetArrayPointer(density);
354 >      break;
355 >
356 >    case dslFunctional:
357 >      return internalGetArrayPointer(functional);
358 >      break;
359 >
360 >    case dslFunctionalDerivative:
361 >      return internalGetArrayPointer(functionalDerivative);
362 >      break;
363 >
364 >    case dslElectricField:
365 >      return internalGetArrayPointer(electricField);
366 >      break;
367 >          
368      default:
369        //error message
370        return NULL;
# Line 378 | Line 461 | namespace OpenMD {
461      if (layout & dslParticlePot) {
462        bytes += sizeof(RealType);
463      }
464 +    if (layout & dslDensity) {
465 +      bytes += sizeof(RealType);
466 +    }
467 +    if (layout & dslFunctional) {
468 +      bytes += sizeof(RealType);
469 +    }
470 +    if (layout & dslFunctionalDerivative) {
471 +      bytes += sizeof(RealType);
472 +    }
473 +    if (layout & dslElectricField) {
474 +      bytes += sizeof(Vector3d);
475 +    }
476 +
477      return bytes;
478    }
479  

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