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root/OpenMD/branches/development/src/brains/DataStorage.cpp
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Comparing branches/development/src/brains/DataStorage.cpp (file contents):
Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC vs.
Revision 1584 by gezelter, Fri Jun 17 20:16:35 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 +    if (storageLayout_ & dslSkippedCharge && skippedCharge.size() != size_) {
131 +      //error
132 +      std::cerr << "size does not match"<< std::endl;        
133 +    }
134      
135      return size_;
136  
# Line 148 | Line 174 | namespace OpenMD {
174        internalResize(particlePot, newSize);
175      }
176  
177 +    if (storageLayout_ & dslDensity) {
178 +      internalResize(density, newSize);
179 +    }
180 +
181 +    if (storageLayout_ & dslFunctional) {
182 +      internalResize(functional, newSize);
183 +    }
184 +
185 +    if (storageLayout_ & dslFunctionalDerivative) {
186 +      internalResize(functionalDerivative, newSize);
187 +    }
188 +
189 +    if (storageLayout_ & dslElectricField) {
190 +      internalResize(electricField, newSize);
191 +    }
192 +
193 +    if (storageLayout_ & dslSkippedCharge) {
194 +      internalResize(skippedCharge, newSize);
195 +    }
196 +
197      size_ = newSize;
198    }
199  
# Line 186 | Line 232 | namespace OpenMD {
232      
233      if (storageLayout_ & dslParticlePot) {
234        particlePot.reserve(size);
235 +    }
236 +
237 +    if (storageLayout_ & dslDensity) {
238 +      density.reserve(size);
239 +    }
240 +
241 +    if (storageLayout_ & dslFunctional) {
242 +      functional.reserve(size);
243 +    }
244 +
245 +    if (storageLayout_ & dslFunctionalDerivative) {
246 +      functionalDerivative.reserve(size);
247 +    }
248 +
249 +    if (storageLayout_ & dslElectricField) {
250 +      electricField.reserve(size);
251 +    }
252 +
253 +    if (storageLayout_ & dslSkippedCharge) {
254 +      skippedCharge.reserve(size);
255      }
256  
257    }
# Line 230 | Line 296 | namespace OpenMD {
296      if (storageLayout_ & dslParticlePot) {
297        internalCopy(particlePot, source, num, target);
298      }
233 –    
299  
300 +    if (storageLayout_ & dslDensity) {
301 +      internalCopy(density, source, num, target);
302 +    }
303 +
304 +    if (storageLayout_ & dslFunctional) {
305 +      internalCopy(functional, source, num, target);
306 +    }
307 +
308 +    if (storageLayout_ & dslFunctionalDerivative) {
309 +      internalCopy(functionalDerivative, source, num, target);
310 +    }
311 +
312 +    if (storageLayout_ & dslElectricField) {
313 +      internalCopy(electricField, source, num, target);
314 +    }
315 +
316 +    if (storageLayout_ & dslSkippedCharge) {
317 +      internalCopy(skippedCharge, source, num, target);
318 +    }
319    }
320  
321    int DataStorage::getStorageLayout() {
# Line 281 | Line 365 | namespace OpenMD {
365      case dslParticlePot:
366        return internalGetArrayPointer(particlePot);
367        break;
368 <            
368 >
369 >    case dslDensity:
370 >      return internalGetArrayPointer(density);
371 >      break;
372 >
373 >    case dslFunctional:
374 >      return internalGetArrayPointer(functional);
375 >      break;
376 >
377 >    case dslFunctionalDerivative:
378 >      return internalGetArrayPointer(functionalDerivative);
379 >      break;
380 >
381 >    case dslElectricField:
382 >      return internalGetArrayPointer(electricField);
383 >      break;
384 >
385 >    case dslSkippedCharge:
386 >      return internalGetArrayPointer(skippedCharge);
387 >      break;
388 >          
389      default:
390        //error message
391        return NULL;
# Line 378 | Line 482 | namespace OpenMD {
482      if (layout & dslParticlePot) {
483        bytes += sizeof(RealType);
484      }
485 +    if (layout & dslDensity) {
486 +      bytes += sizeof(RealType);
487 +    }
488 +    if (layout & dslFunctional) {
489 +      bytes += sizeof(RealType);
490 +    }
491 +    if (layout & dslFunctionalDerivative) {
492 +      bytes += sizeof(RealType);
493 +    }
494 +    if (layout & dslElectricField) {
495 +      bytes += sizeof(Vector3d);
496 +    }
497 +    if (layout & dslSkippedCharge) {
498 +      bytes += sizeof(RealType);
499 +    }
500 +
501      return bytes;
502    }
503  

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