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root/OpenMD/trunk/src/brains/DataStorage.cpp
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Comparing trunk/src/brains/DataStorage.cpp (file contents):
Revision 155 by tim, Tue Oct 26 22:19:22 2004 UTC vs.
Revision 1993 by gezelter, Tue Apr 29 17:32:31 2014 UTC

# Line 1 | Line 1
1   /*
2 < * Copyright (C) 2000-2004  Object Oriented Parallel Simulation Engine (OOPSE) project
3 < *
4 < * Contact: oopse@oopse.org
5 < *
6 < * This program is free software; you can redistribute it and/or
7 < * modify it under the terms of the GNU Lesser General Public License
8 < * as published by the Free Software Foundation; either version 2.1
9 < * of the License, or (at your option) any later version.
10 < * All we ask is that proper credit is given for our work, which includes
11 < * - but is not limited to - adding the above copyright notice to the beginning
12 < * of your source code files, and to any copyright notice that you may distribute
13 < * with programs based on this work.
14 < *
15 < * This program is distributed in the hope that it will be useful,
16 < * but WITHOUT ANY WARRANTY; without even the implied warranty of
17 < * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
18 < * GNU Lesser General Public License for more details.
19 < *
20 < * You should have received a copy of the GNU Lesser General Public License
21 < * along with this program; if not, write to the Free Software
22 < * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA.
2 > * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3   *
4 + * The University of Notre Dame grants you ("Licensee") a
5 + * non-exclusive, royalty free, license to use, modify and
6 + * redistribute this software in source and binary code form, provided
7 + * that the following conditions are met:
8 + *
9 + * 1. Redistributions of source code must retain the above copyright
10 + *    notice, this list of conditions and the following disclaimer.
11 + *
12 + * 2. Redistributions in binary form must reproduce the above copyright
13 + *    notice, this list of conditions and the following disclaimer in the
14 + *    documentation and/or other materials provided with the
15 + *    distribution.
16 + *
17 + * This software is provided "AS IS," without a warranty of any
18 + * kind. All express or implied conditions, representations and
19 + * warranties, including any implied warranty of merchantability,
20 + * fitness for a particular purpose or non-infringement, are hereby
21 + * excluded.  The University of Notre Dame and its licensors shall not
22 + * be liable for any damages suffered by licensee as a result of
23 + * using, modifying or distributing the software or its
24 + * derivatives. In no event will the University of Notre Dame or its
25 + * licensors be liable for any lost revenue, profit or data, or for
26 + * direct, indirect, special, consequential, incidental or punitive
27 + * damages, however caused and regardless of the theory of liability,
28 + * arising out of the use of or inability to use software, even if the
29 + * University of Notre Dame has been advised of the possibility of
30 + * such damages.
31 + *
32 + * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33 + * research, please cite the appropriate papers when you publish your
34 + * work.  Good starting points are:
35 + *                                                                      
36 + * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37 + * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38 + * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
39 + * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40 + * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
42  
43 < /**
44 <  * @file DataStorage.cpp
45 <  * @author tlin
46 <  * @date 10/26/2004
47 <  * @time 11:56am
48 <  * @version 1.0
32 <  */
43 > /**
44 > * @file DataStorage.cpp
45 > * @author tlin
46 > * @date 10/26/2004
47 > * @version 1.0
48 > */
49  
50   #include "brains/DataStorage.hpp"
51 + using namespace std;
52 + namespace OpenMD {
53  
54 +  DataStorage::DataStorage() : size_(0), storageLayout_(0){
55  
56 < DataStorage::DataStorage() : size_(0), storageLayout_(0){
56 >  }
57  
58 < }
40 <
41 < DataStorage::DataStorage(int size, int storageLayout) : size_(size){
58 >  DataStorage::DataStorage(int size, int storageLayout) : size_(size){
59      setStorageLayout(storageLayout);
60      resize(size);
61 < }
61 >  }
62  
63 < int DataStorage::getSize() {
63 >  int DataStorage::getSize() {
64  
65      if (storageLayout_ & dslPosition && position.size() != size_) {
66 <        //error
67 <        std::cerr << "size does not match"<< std::endl;
66 >      //error
67 >      cerr << "size does not match"<< endl;
68      }
69  
70      if (storageLayout_ & dslVelocity && velocity.size() != size_) {
71 <        //error
72 <        std::cerr << "size does not match"<< std::endl;        
71 >      //error
72 >      cerr << "size does not match"<< endl;        
73      }
74  
75 +    if (storageLayout_ & dslForce && force.size() != size_) {
76 +      //error
77 +      cerr << "size does not match"<< endl;        
78 +    }
79 +
80      if (storageLayout_ & dslAmat && aMat.size() != size_) {
81 <        //error
82 <        std::cerr << "size does not match"<< std::endl;        
81 >      //error
82 >      cerr << "size does not match"<< endl;        
83      }
84  
85      if (storageLayout_ & dslAngularMomentum && angularMomentum.size() != size_) {
86 <        //error
87 <        std::cerr << "size does not match"<< std::endl;        
86 >      //error
87 >      cerr << "size does not match"<< endl;        
88      }
89  
90 <    if (storageLayout_ & dslUnitVector && unitVector.size() != size_) {
91 <        //error
92 <        std::cerr << "size does not match"<< std::endl;        
90 >    if (storageLayout_ & dslTorque && torque.size() != size_) {
91 >      //error
92 >      cerr << "size does not match"<< endl;        
93      }
94  
95 <    if (storageLayout_ & dslZAngle && zAngle.size() != size_) {
96 <        //error
97 <        std::cerr << "size does not match"<< std::endl;        
95 >    if (storageLayout_ & dslParticlePot && particlePot.size() != size_) {
96 >      //error
97 >      cerr << "size does not match"<< endl;        
98      }
99  
100 <    if (storageLayout_ & dslForce && force.size() != size_) {
101 <        //error
102 <        std::cerr << "size does not match"<< std::endl;        
100 >    if (storageLayout_ & dslDensity && density.size() != size_) {
101 >      //error
102 >      cerr << "size does not match"<< endl;        
103      }
104  
105 <    if (storageLayout_ & dslTorque && torque.size() != size_) {
106 <        //error
107 <        std::cerr << "size does not match"<< std::endl;        
105 >    if (storageLayout_ & dslFunctional && functional.size() != size_) {
106 >      //error
107 >      cerr << "size does not match"<< endl;        
108      }
109  
110 +    if (storageLayout_ & dslFunctionalDerivative && functionalDerivative.size() != size_) {
111 +      //error
112 +      cerr << "size does not match"<< endl;        
113 +    }
114 +
115 +    if (storageLayout_ & dslDipole && dipole.size() != size_) {
116 +      //error
117 +      cerr << "size does not match"<< endl;        
118 +    }
119 +
120 +    if (storageLayout_ & dslQuadrupole && quadrupole.size() != size_) {
121 +      //error
122 +      cerr << "size does not match"<< endl;        
123 +    }
124 +
125 +    if (storageLayout_ & dslElectricField && electricField.size() != size_) {
126 +      //error
127 +      cerr << "size does not match"<< endl;        
128 +    }
129 +
130 +    if (storageLayout_ & dslSkippedCharge && skippedCharge.size() != size_) {
131 +      //error
132 +      cerr << "size does not match"<< endl;        
133 +    }
134 +
135 +    if (storageLayout_ & dslFlucQPosition && flucQPos.size() != size_) {
136 +      //error
137 +      cerr << "size does not match"<< endl;        
138 +    }
139 +
140 +    if (storageLayout_ & dslFlucQVelocity && flucQVel.size() != size_) {
141 +      //error
142 +      cerr << "size does not match"<< endl;        
143 +    }
144 +
145 +    if (storageLayout_ & dslFlucQForce && flucQFrc.size() != size_) {
146 +      //error
147 +      cerr << "size does not match"<< endl;        
148 +    }
149 +
150 +    if (storageLayout_ & dslSitePotential && sitePotential.size() != size_) {
151 +      //error
152 +      cerr << "size does not match"<< endl;        
153 +    }
154 +    
155      return size_;
156  
157 < }
157 >  }
158  
159 < void DataStorage::resize(int newSize) {
159 >  void DataStorage::resize(int newSize) {
160  
161      if (storageLayout_ & dslPosition) {
162 <        internalResize(position, newSize);
162 >      internalResize(position, newSize);
163      }
164  
165      if (storageLayout_ & dslVelocity) {
166 <        internalResize(velocity, newSize);
166 >      internalResize(velocity, newSize);
167      }
168  
169 +    if (storageLayout_ & dslForce) {
170 +      internalResize(force, newSize);
171 +    }
172 +
173      if (storageLayout_ & dslAmat) {
174 <        internalResize(aMat, newSize);
174 >      internalResize(aMat, newSize);
175      }
176  
177      if (storageLayout_ & dslAngularMomentum) {
178 <        internalResize(angularMomentum, newSize);
178 >      internalResize(angularMomentum, newSize);
179      }
180 +    
181 +    if (storageLayout_ & dslTorque) {
182 +      internalResize(torque, newSize);
183 +    }
184  
185 <    if (storageLayout_ & dslUnitVector) {
186 <        internalResize(unitVector, newSize);
185 >    if (storageLayout_ & dslParticlePot) {
186 >      internalResize(particlePot, newSize);
187      }
188 <    
189 <    if (storageLayout_ & dslZAngle) {
190 <        internalResize(zAngle, newSize);
188 >
189 >    if (storageLayout_ & dslDensity) {
190 >      internalResize(density, newSize);
191      }
192  
193 <    if (storageLayout_ & dslForce) {
194 <        internalResize(force, newSize);
193 >    if (storageLayout_ & dslFunctional) {
194 >      internalResize(functional, newSize);
195      }
196  
197 <    if (storageLayout_ & dslTorque) {
198 <        internalResize(torque, newSize);
197 >    if (storageLayout_ & dslFunctionalDerivative) {
198 >      internalResize(functionalDerivative, newSize);
199      }
200  
201 +    if (storageLayout_ & dslDipole) {
202 +      internalResize(dipole, newSize);
203 +    }
204 +
205 +    if (storageLayout_ & dslQuadrupole) {
206 +      internalResize(quadrupole, newSize);
207 +    }
208 +
209 +    if (storageLayout_ & dslElectricField) {
210 +      internalResize(electricField, newSize);
211 +    }
212 +
213 +    if (storageLayout_ & dslSkippedCharge) {
214 +      internalResize(skippedCharge, newSize);
215 +    }
216 +
217 +    if (storageLayout_ & dslFlucQPosition) {
218 +      internalResize(flucQPos, newSize);
219 +    }
220 +
221 +    if (storageLayout_ & dslFlucQVelocity) {
222 +      internalResize(flucQVel, newSize);
223 +    }
224 +
225 +    if (storageLayout_ & dslFlucQForce) {
226 +      internalResize(flucQFrc, newSize);
227 +    }
228 +
229 +    if (storageLayout_ & dslSitePotential) {
230 +      internalResize(sitePotential, newSize);
231 +    }
232 +
233      size_ = newSize;
234 < }
234 >  }
235  
236 < void DataStorage::reserve(int size) {
236 >  void DataStorage::reserve(int size) {
237      if (storageLayout_ & dslPosition) {
238 <        position.reserve(size);
238 >      position.reserve(size);
239      }
240  
241      if (storageLayout_ & dslVelocity) {
242 <        velocity.reserve(size);
242 >      velocity.reserve(size);
243      }
244  
245 +    if (storageLayout_ & dslForce) {
246 +      force.reserve(size);
247 +    }
248 +
249      if (storageLayout_ & dslAmat) {
250 <        aMat.reserve(size);
250 >      aMat.reserve(size);
251      }
252  
253      if (storageLayout_ & dslAngularMomentum) {
254 <        angularMomentum.reserve(size);
254 >      angularMomentum.reserve(size);
255      }
256  
257 <    if (storageLayout_ & dslUnitVector) {
258 <        unitVector.reserve(size);
257 >    if (storageLayout_ & dslTorque) {
258 >      torque.reserve(size);
259      }
260      
261 <    if (storageLayout_ & dslZAngle) {
262 <        zAngle.reserve(size);
261 >    if (storageLayout_ & dslParticlePot) {
262 >      particlePot.reserve(size);
263      }
264  
265 <    if (storageLayout_ & dslForce) {
266 <        force.reserve(size);
267 <    }
265 >    if (storageLayout_ & dslDensity) {
266 >      density.reserve(size);
267 >    }
268  
269 <    if (storageLayout_ & dslTorque) {
270 <        torque.reserve(size);
269 >    if (storageLayout_ & dslFunctional) {
270 >      functional.reserve(size);
271      }
272  
273 < }
273 >    if (storageLayout_ & dslFunctionalDerivative) {
274 >      functionalDerivative.reserve(size);
275 >    }
276  
277 < void DataStorage::copy(int source, int num, int target) {
277 >    if (storageLayout_ & dslDipole) {
278 >      dipole.reserve(size);
279 >    }
280 >
281 >    if (storageLayout_ & dslQuadrupole) {
282 >      quadrupole.reserve(size);
283 >    }
284 >
285 >    if (storageLayout_ & dslElectricField) {
286 >      electricField.reserve(size);
287 >    }
288 >
289 >    if (storageLayout_ & dslSkippedCharge) {
290 >      skippedCharge.reserve(size);
291 >    }
292 >
293 >    if (storageLayout_ & dslFlucQPosition) {
294 >      flucQPos.reserve(size);
295 >    }
296 >
297 >    if (storageLayout_ & dslFlucQVelocity) {
298 >      flucQVel.reserve(size);
299 >    }
300 >
301 >    if (storageLayout_ & dslFlucQForce) {
302 >      flucQFrc.reserve(size);
303 >    }
304 >
305 >    if (storageLayout_ & dslSitePotential) {
306 >      sitePotential.reserve(size);
307 >    }
308 >  }
309 >
310 >  void DataStorage::copy(int source, int num, int target) {
311      if (num + target > size_ ) {
312 <        //error
312 >      //error
313      }
314      
315      if (storageLayout_ & dslPosition) {
316 <        interalCopy(position, source, num, target);
316 >      internalCopy(position, source, num, target);
317      }
318  
319      if (storageLayout_ & dslVelocity) {
320 <        interalCopy(velocity, source, num, target);
321 <  }
320 >      internalCopy(velocity, source, num, target);
321 >    }
322  
323 +    if (storageLayout_ & dslForce) {
324 +      internalCopy(force, source, num, target);
325 +    }
326 +
327      if (storageLayout_ & dslAmat) {
328 <        interalCopy(aMat, source, num, target);
329 <   }
328 >      internalCopy(aMat, source, num, target);
329 >    }
330  
331      if (storageLayout_ & dslAngularMomentum) {
332 <        interalCopy(angularMomentum, source, num, target);
332 >      internalCopy(angularMomentum, source, num, target);
333      }
334  
335 <    if (storageLayout_ & dslUnitVector) {
336 <        interalCopy(unitVector, source, num, target);
335 >    if (storageLayout_ & dslTorque) {
336 >      internalCopy(torque, source, num, target);
337      }
338 <    
339 <    if (storageLayout_ & dslZAngle) {
340 <        interalCopy(zAngle, source, num, target);
338 >
339 >    if (storageLayout_ & dslParticlePot) {
340 >      internalCopy(particlePot, source, num, target);
341      }
342  
343 <    if (storageLayout_ & dslForce) {
344 <        interalCopy(force, source, num, target);
345 <    }
343 >    if (storageLayout_ & dslDensity) {
344 >      internalCopy(density, source, num, target);
345 >    }
346  
347 <    if (storageLayout_ & dslTorque) {
348 <        interalCopy(torque, source, num, target);
347 >    if (storageLayout_ & dslFunctional) {
348 >      internalCopy(functional, source, num, target);
349      }
200    
350  
351 < }
351 >    if (storageLayout_ & dslFunctionalDerivative) {
352 >      internalCopy(functionalDerivative, source, num, target);
353 >    }
354  
355 < int DataStorage::getStorageLayout() {
355 >    if (storageLayout_ & dslDipole) {
356 >      internalCopy(dipole, source, num, target);
357 >    }
358 >
359 >    if (storageLayout_ & dslQuadrupole) {
360 >      internalCopy(quadrupole, source, num, target);
361 >    }
362 >
363 >    if (storageLayout_ & dslElectricField) {
364 >      internalCopy(electricField, source, num, target);
365 >    }
366 >
367 >    if (storageLayout_ & dslSkippedCharge) {
368 >      internalCopy(skippedCharge, source, num, target);
369 >    }
370 >
371 >    if (storageLayout_ & dslFlucQPosition) {
372 >      internalCopy(flucQPos, source, num, target);
373 >    }
374 >
375 >    if (storageLayout_ & dslFlucQVelocity) {
376 >      internalCopy(flucQVel, source, num, target);
377 >    }
378 >    if (storageLayout_ & dslFlucQForce) {
379 >      internalCopy(flucQFrc, source, num, target);
380 >    }
381 >
382 >    if (storageLayout_ & dslSitePotential) {
383 >      internalCopy(sitePotential, source, num, target);
384 >    }
385 >  }
386 >
387 >  int DataStorage::getStorageLayout() {
388      return storageLayout_;
389 < }
389 >  }
390  
391 < void DataStorage::setStorageLayout(int layout) {
391 >  void DataStorage::setStorageLayout(int layout) {
392      storageLayout_ = layout;
393      resize(size_);
394 < }
394 >  }
395  
396 < double* DataStorage::getArrayPointer(int whichArray) {
396 >  RealType* DataStorage::getArrayPointer(int whichArray) {
397  
398      switch (whichArray) {
399 <        case dslPosition:
400 <            return internalGetArrayPointer(torque);
218 <            break;
399 >    case dslPosition:
400 >      return internalGetArrayPointer(position);
401              
402 <        case dslVelocity:
403 <            return internalGetArrayPointer(velocity);
222 <            break;
402 >    case dslVelocity:
403 >      return internalGetArrayPointer(velocity);
404              
405 <        case dslAmat:
406 <            return internalGetArrayPointer(aMat);
407 <            break;            
405 >    case dslForce:
406 >      return internalGetArrayPointer(force);
407 >
408 >    case dslAmat:
409 >      return internalGetArrayPointer(aMat);
410              
411 <        case dslAngularMomentum:
412 <            return internalGetArrayPointer(angularMomentum);
230 <            break;
411 >    case dslAngularMomentum:
412 >      return internalGetArrayPointer(angularMomentum);
413              
414 <        case dslUnitVector:
415 <            return internalGetArrayPointer(unitVector);
234 <            break;
235 <            
236 <        case dslZAngle:
237 <            return internalGetArrayPointer(zAngle);
238 <            break;
414 >    case dslTorque:
415 >      return internalGetArrayPointer(torque);
416  
417 <        case dslForce:
418 <            return internalGetArrayPointer(force);
242 <            break;            
417 >    case dslParticlePot:
418 >      return internalGetArrayPointer(particlePot);
419  
420 <        case dslTorque:
421 <            return internalGetArrayPointer(torque);
246 <            break;  
247 <            
248 <        default:
249 <            //error message
250 <            return NULL;
420 >    case dslDensity:
421 >      return internalGetArrayPointer(density);
422  
423 +    case dslFunctional:
424 +      return internalGetArrayPointer(functional);
425 +
426 +    case dslFunctionalDerivative:
427 +      return internalGetArrayPointer(functionalDerivative);
428 +
429 +    case dslDipole:
430 +      return internalGetArrayPointer(dipole);
431 +
432 +    case dslQuadrupole:
433 +      return internalGetArrayPointer(quadrupole);
434 +
435 +    case dslElectricField:
436 +      return internalGetArrayPointer(electricField);
437 +
438 +    case dslSkippedCharge:
439 +      return internalGetArrayPointer(skippedCharge);
440 +
441 +    case dslFlucQPosition:
442 +      return internalGetArrayPointer(flucQPos);
443 +
444 +    case dslFlucQVelocity:
445 +      return internalGetArrayPointer(flucQVel);
446 +          
447 +    case dslFlucQForce:
448 +      return internalGetArrayPointer(flucQFrc);
449 +          
450 +    case dslSitePotential:
451 +      return internalGetArrayPointer(sitePotential);
452 +          
453 +    default:
454 +      //error message
455 +      return NULL;
456      }
457 < }    
457 >  }    
458  
459 < double* DataStorage::internalGetArrayPointer(std::vector<Vector3d>& v) {
460 <    if (v.size() == 0) {
461 <        return NULL;
459 >  RealType* DataStorage::internalGetArrayPointer(std::vector<Vector3d>& v) {
460 >    if (v.empty()) {
461 >      return NULL;
462      } else {
463 <        return v[0].getArrayPointer();
463 >      return v[0].getArrayPointer();
464      }
465 < }
465 >  }
466  
467 < double* DataStorage::internalGetArrayPointer(std::vector<RotMat3x3d>& v) {
468 <    if (v.size() == 0) {
469 <        return NULL;
467 >  RealType* DataStorage::internalGetArrayPointer(std::vector<Mat3x3d>& v) {
468 >    if (v.empty()) {
469 >      return NULL;
470      } else {
471 <        return v[0].getArrayPointer();
471 >      return v[0].getArrayPointer();
472      }
473  
474 < }
474 >  }
475  
476 < double* DataStorage::internalGetArrayPointer(std::vector<double>& v) {
477 <    if (v.size() == 0) {
478 <        return NULL;
476 >  RealType* DataStorage::internalGetArrayPointer(std::vector<RealType>& v) {
477 >    if (v.empty()) {
478 >      return NULL;
479      } else {
480 <        return &(v[0]);
480 >      return &(v[0]);
481      }
482  
483 < }    
483 >  }    
484  
485 < template<typename T>
486 < void DataStorage::internalResize(std::vector<T>& v, int newSize){
485 >  template<typename T>
486 >  void DataStorage::internalResize(std::vector<T>& v, int newSize){
487      int oldSize = v.size();
488  
489      if (oldSize == newSize) {
490 <        return;
490 >      return;
491      } else if (oldSize < newSize) {
492 <        v.insert(v.end(), newSize-oldSize, T());
492 >      v.insert(v.end(), newSize-oldSize, T());
493      } else {
494 <        typename std::vector<T>::iterator i;
495 <        i = v.begin();
496 <        std::advance(i, newSize);        
497 <        v.erase(i, v.end());
494 >      typename std::vector<T>::iterator i;
495 >      i = v.begin();
496 >      std::advance(i, newSize);        
497 >      v.erase(i, v.end());
498      }
499 < }
499 >  }
500  
501 < template<typename T>
502 < void DataStorage::interalCopy(std::vector<T>& v, int source,  int num, int target) {
501 >  template<typename T>
502 >  void DataStorage::internalCopy(std::vector<T>& v, int source,  int num, int target) {
503      typename std::vector<T>::iterator first;
504      typename std::vector<T>::iterator last;
505      typename std::vector<T>::iterator result;
# Line 310 | Line 514 | void DataStorage::interalCopy(std::vector<T>& v, int s
514      std::advance(result, target );
515  
516      std::copy(first, last, result);
517 +  }
518 +
519 +  int DataStorage::getBytesPerStuntDouble(int layout) {
520 +    int bytes = 0;
521 +    if (layout & dslPosition) {
522 +      bytes += sizeof(Vector3d);
523 +    }
524 +    if (layout & dslVelocity) {
525 +      bytes += sizeof(Vector3d);
526 +    }
527 +    if (layout & dslForce) {
528 +      bytes += sizeof(Vector3d);
529 +    }
530 +    if (layout & dslAmat) {
531 +      bytes += sizeof(RotMat3x3d);    
532 +    }
533 +    if (layout & dslAngularMomentum) {
534 +      bytes += sizeof(Vector3d);
535 +    }
536 +    if (layout & dslTorque) {
537 +      bytes += sizeof(Vector3d);
538 +    }
539 +    if (layout & dslParticlePot) {
540 +      bytes += sizeof(RealType);
541 +    }
542 +    if (layout & dslDensity) {
543 +      bytes += sizeof(RealType);
544 +    }
545 +    if (layout & dslFunctional) {
546 +      bytes += sizeof(RealType);
547 +    }
548 +    if (layout & dslFunctionalDerivative) {
549 +      bytes += sizeof(RealType);
550 +    }
551 +    if (layout & dslDipole) {
552 +      bytes += sizeof(Vector3d);
553 +    }
554 +    if (layout & dslQuadrupole) {
555 +      bytes += sizeof(Mat3x3d);
556 +    }
557 +    if (layout & dslElectricField) {
558 +      bytes += sizeof(Vector3d);
559 +    }
560 +    if (layout & dslSkippedCharge) {
561 +      bytes += sizeof(RealType);
562 +    }
563 +    if (layout & dslFlucQPosition) {
564 +      bytes += sizeof(RealType);
565 +    }
566 +    if (layout & dslFlucQVelocity) {
567 +      bytes += sizeof(RealType);
568 +    }
569 +    if (layout & dslFlucQForce) {
570 +      bytes += sizeof(RealType);
571 +    }
572 +    if (layout & dslSitePotential) {
573 +      bytes += sizeof(RealType);
574 +    }
575 +
576 +    return bytes;
577 +  }
578 +
579   }

Comparing trunk/src/brains/DataStorage.cpp (property svn:keywords):
Revision 155 by tim, Tue Oct 26 22:19:22 2004 UTC vs.
Revision 1993 by gezelter, Tue Apr 29 17:32:31 2014 UTC

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