| 1 | < | /* | 
| 1 | > | /* | 
| 2 |  | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | 
| 3 |  | * | 
| 4 |  | * The University of Notre Dame grants you ("Licensee") a | 
| 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 | 
| 9 | > | * 1. Redistributions of source code must retain the above copyright | 
| 10 |  | *    notice, this list of conditions and the following disclaimer. | 
| 11 |  | * | 
| 12 | < | * 3. Redistributions in binary form must reproduce the above copyright | 
| 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. | 
| 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 | < | /** | 
| 43 | < | * @file SnapshotManager.hpp | 
| 44 | < | * @author tlin | 
| 45 | < | * @date 10/20/2004 | 
| 46 | < | * @time 23:56am | 
| 47 | < | * @version 1.0 | 
| 48 | < | */ | 
| 42 | > | /** | 
| 43 | > | * @file SnapshotManager.hpp | 
| 44 | > | * @author tlin | 
| 45 | > | * @date 10/20/2004 | 
| 46 | > | * @time 23:56am | 
| 47 | > | * @version 1.0 | 
| 48 | > | */ | 
| 49 |  | #ifndef BRAINS_SNAPSHOTMANAGER_HPP | 
| 50 |  | #define BRAINS_SNAPSHOTMANAGER_HPP | 
| 51 |  |  | 
| 52 |  | #include "brains/Snapshot.hpp" | 
| 53 |  |  | 
| 54 | < | namespace oopse{ | 
| 54 | > | namespace OpenMD{ | 
| 55 |  |  | 
| 56 | < | /** | 
| 57 | < | * @class SnapshotManager SnapshotManager.hpp "brains/SnapshotManager.hpp" | 
| 58 | < | * @brief SnapshotManager class is an abstract class which maintains | 
| 59 | < | * a series of snapshots. | 
| 60 | < | * | 
| 61 | < | * @see SimSnapshotManager | 
| 62 | < | * @see PropSnapshotManager | 
| 63 | < | */ | 
| 64 | < | class SnapshotManager { | 
| 65 | < | public: | 
| 56 | > | /** | 
| 57 | > | * @class SnapshotManager SnapshotManager.hpp "brains/SnapshotManager.hpp" | 
| 58 | > | * @brief SnapshotManager class is an abstract class which maintains | 
| 59 | > | * a series of snapshots. | 
| 60 | > | * | 
| 61 | > | * @see SimSnapshotManager | 
| 62 | > | * @see PropSnapshotManager | 
| 63 | > | */ | 
| 64 | > | class SnapshotManager { | 
| 65 | > | public: | 
| 66 |  |  | 
| 67 | < | virtual ~SnapshotManager() { | 
| 68 | < | delete currentSnapshot_; | 
| 69 | < | delete previousSnapshot_; | 
| 70 | < | } | 
| 67 | > | virtual ~SnapshotManager() { | 
| 68 | > | delete currentSnapshot_; | 
| 69 | > | delete previousSnapshot_; | 
| 70 | > | } | 
| 71 |  |  | 
| 72 | < | virtual bool advance() { return true; } | 
| 72 | > | virtual bool advance() { return true; } | 
| 73 |  |  | 
| 74 | < | virtual Snapshot* getSnapshot(int id) = 0; | 
| 74 | > | virtual Snapshot* getSnapshot(int id) = 0; | 
| 75 |  |  | 
| 76 | < | /** | 
| 77 | < | * Returns the pointer of previous snapshot | 
| 78 | < | * @return the pointer of previous snapshot | 
| 79 | < | */ | 
| 80 | < | Snapshot* getPrevSnapshot() { | 
| 81 | < | return previousSnapshot_; | 
| 82 | < | } | 
| 76 | > | /** | 
| 77 | > | * Returns the pointer of previous snapshot | 
| 78 | > | * @return the pointer of previous snapshot | 
| 79 | > | */ | 
| 80 | > | Snapshot* getPrevSnapshot() { | 
| 81 | > | return previousSnapshot_; | 
| 82 | > | } | 
| 83 |  |  | 
| 84 | < | /** | 
| 85 | < | * Returns the pointer of current snapshot | 
| 86 | < | * @return the pointer of current snapshot | 
| 87 | < | */ | 
| 88 | < | Snapshot* getCurrentSnapshot() { | 
| 89 | < | return currentSnapshot_; | 
| 90 | < | } | 
| 84 | > | /** | 
| 85 | > | * Returns the pointer of current snapshot | 
| 86 | > | * @return the pointer of current snapshot | 
| 87 | > | */ | 
| 88 | > | Snapshot* getCurrentSnapshot() { | 
| 89 | > | return currentSnapshot_; | 
| 90 | > | } | 
| 91 |  |  | 
| 92 | < | int getStorageLayout() { | 
| 93 | < | return storageLayout_; | 
| 94 | < | } | 
| 92 | > | int getStorageLayout() { | 
| 93 | > | return storageLayout_; | 
| 94 | > | } | 
| 95 |  |  | 
| 96 | < | protected: | 
| 96 | > | private: | 
| 97 | > | int storageLayout_; | 
| 98 |  |  | 
| 99 | < | SnapshotManager(int storageLayout) : storageLayout_(storageLayout), currentSnapshot_(NULL), previousSnapshot_(NULL) { | 
| 100 | < | } | 
| 99 | > | protected: | 
| 100 | > |  | 
| 101 | > | SnapshotManager(int storageLayout) : storageLayout_(storageLayout), currentSnapshot_(NULL), previousSnapshot_(NULL) { | 
| 102 | > | } | 
| 103 |  |  | 
| 104 | < | Snapshot* currentSnapshot_; | 
| 105 | < | Snapshot* previousSnapshot_; | 
| 104 | > | Snapshot* currentSnapshot_; | 
| 105 | > | Snapshot* previousSnapshot_; | 
| 106 |  |  | 
| 104 | – | private: | 
| 105 | – | int storageLayout_; | 
| 107 |  |  | 
| 108 | < | }; | 
| 108 | > | }; | 
| 109 |  |  | 
| 110 |  | } | 
| 111 |  | #endif //BRAINS_SNAPSHOTMANAGER_HPP |