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root/OpenMD/branches/development/src/brains/SimSnapshotManager.cpp
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Comparing trunk/src/brains/SimSnapshotManager.cpp (file contents):
Revision 149 by tim, Mon Oct 25 04:08:14 2004 UTC vs.
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 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, 24107 (2008).          
39 + * [4]  Vardeman & Gezelter, in progress (2009).                        
40   */
41 +
42 + #include "brains/SimInfo.hpp"
43 + #include "brains/SimSnapshotManager.hpp"
44 + #include "utils/simError.h"
45 + namespace OpenMD {
46  
47 < namespace oopse {
47 >  SimSnapshotManager::SimSnapshotManager(SimInfo* info, int storageLayout)
48 >    : SnapshotManager(storageLayout), info_(info){
49  
50 < SimSnapshotManager::SimSnapshotManager(){
51 <    //allocate memory for snapshots
52 <    previousSnapshot_ = new Snapshot();
53 <    currentSnapshot_ = new Snapshot();
54 < }
50 >      int nAtoms = info_->getNAtoms();
51 >      int nRigidBodies = info_->getNRigidBodies();
52 >    
53 >      //allocate memory for snapshots
54 >      previousSnapshot_ = new Snapshot(nAtoms, nRigidBodies, storageLayout);
55 >      currentSnapshot_ = new Snapshot(nAtoms, nRigidBodies, storageLayout);
56 >    }
57  
58 < bool SimSnapshotManager::advance() {
58 >  SimSnapshotManager::~SimSnapshotManager(){
59 >    delete previousSnapshot_;
60 >    delete currentSnapshot_;
61 >    previousSnapshot_ = NULL;
62 >    currentSnapshot_ = NULL;
63 >  }
64 >  bool SimSnapshotManager::advance() {
65  
66      *previousSnapshot_ = *currentSnapshot_;
67 < }
67 >    currentSnapshot_->setID(currentSnapshot_->getID() + 1);    
68 >    return true;
69 >  }
70  
71 < Snapshot* SimSnapshotManager::getSnapshot(int id) {
71 >  Snapshot* SimSnapshotManager::getSnapshot(int id) {
72      if (currentSnapshot_ != NULL && currentSnapshot_->getID() == id) {
73 <        return currentSnapshot_;        
73 >      return currentSnapshot_;        
74      } else if (previousSnapshot_!= NULL && previousSnapshot_->getID() == id) {
75 <        return previousSnapshot_;
75 >      return previousSnapshot_;
76      } else {
77 <        return NULL;
77 >      return NULL;
78      }
79 < }    
79 >  }    
80  
81 < int SimSnapshotManager::getCapacity() {
81 >  int SimSnapshotManager::getCapacity() {
82      return 2;
83 < }
83 >  }
84  
85 < void SimSnapshotManager::setCapacity(int capacity);
85 >  void SimSnapshotManager::setCapacity(int capacity) {
86      //give warning message
87 < } //namespace oopse
87 >    sprintf( painCave.errMsg,
88 >             "SimSnapshotManager error: can not set capacity for SimSnapshotManager.\n" );
89 >    painCave.isFatal = 0;
90 >    simError();    
91 >  }
92 >
93 > } //namespace OpenMD

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