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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. |
1 | > | /* |
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. Acknowledgement of the program authors must be made in any |
10 | + | * publication of scientific results based in part on use of the |
11 | + | * program. An acceptable form of acknowledgement is citation of |
12 | + | * the article in which the program was described (Matthew |
13 | + | * A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
14 | + | * J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
15 | + | * Parallel Simulation Engine for Molecular Dynamics," |
16 | + | * J. Comput. Chem. 26, pp. 252-271 (2005)) |
17 | + | * |
18 | + | * 2. Redistributions of source code must retain the above copyright |
19 | + | * notice, this list of conditions and the following disclaimer. |
20 | + | * |
21 | + | * 3. Redistributions in binary form must reproduce the above copyright |
22 | + | * notice, this list of conditions and the following disclaimer in the |
23 | + | * documentation and/or other materials provided with the |
24 | + | * distribution. |
25 | + | * |
26 | + | * This software is provided "AS IS," without a warranty of any |
27 | + | * kind. All express or implied conditions, representations and |
28 | + | * warranties, including any implied warranty of merchantability, |
29 | + | * fitness for a particular purpose or non-infringement, are hereby |
30 | + | * excluded. The University of Notre Dame and its licensors shall not |
31 | + | * be liable for any damages suffered by licensee as a result of |
32 | + | * using, modifying or distributing the software or its |
33 | + | * derivatives. In no event will the University of Notre Dame or its |
34 | + | * licensors be liable for any lost revenue, profit or data, or for |
35 | + | * direct, indirect, special, consequential, incidental or punitive |
36 | + | * damages, however caused and regardless of the theory of liability, |
37 | + | * arising out of the use of or inability to use software, even if the |
38 | + | * University of Notre Dame has been advised of the possibility of |
39 | + | * such damages. |
40 | */ | |
41 | < | |
41 | > | |
42 | > | #include "brains/SimInfo.hpp" |
43 | > | #include "brains/SimSnapshotManager.hpp" |
44 | > | #include "utils/simError.h" |
45 | namespace oopse { | |
46 | ||
47 | < | SimSnapshotManager::SimSnapshotManager(){ |
47 | > | SimSnapshotManager::SimSnapshotManager(SimInfo* info) : info_(info){ |
48 | > | int nAtoms = info_->getNAtoms(); |
49 | > | int nRigidBodies = info_->getNRigidBodies(); |
50 | > | |
51 | //allocate memory for snapshots | |
52 | < | previousSnapshot_ = new Snapshot(); |
53 | < | currentSnapshot_ = new Snapshot(); |
52 | > | previousSnapshot_ = new Snapshot(nAtoms, nRigidBodies); |
53 | > | currentSnapshot_ = new Snapshot(nAtoms, nRigidBodies); |
54 | } | |
55 | ||
56 | + | SimSnapshotManager::~SimSnapshotManager(){ |
57 | + | delete previousSnapshot_; |
58 | + | delete currentSnapshot_; |
59 | + | previousSnapshot_ = NULL; |
60 | + | currentSnapshot_ = NULL; |
61 | + | } |
62 | bool SimSnapshotManager::advance() { | |
63 | ||
64 | *previousSnapshot_ = *currentSnapshot_; | |
65 | + | currentSnapshot_->setID(currentSnapshot_->getID() + 1); |
66 | + | return true; |
67 | } | |
68 | ||
69 | Snapshot* SimSnapshotManager::getSnapshot(int id) { | |
# | Line 50 | Line 80 | int SimSnapshotManager::getCapacity() { | |
80 | return 2; | |
81 | } | |
82 | ||
83 | < | void SimSnapshotManager::setCapacity(int capacity); |
83 | > | void SimSnapshotManager::setCapacity(int capacity) { |
84 | //give warning message | |
85 | + | sprintf( painCave.errMsg, |
86 | + | "SimSnapshotManager error: can not set capacity for SimSnapshotManager.\n" ); |
87 | + | painCave.isFatal = 0; |
88 | + | simError(); |
89 | + | } |
90 | + | |
91 | } //namespace oopse |
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