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root/OpenMD/branches/development/src/brains/SimSnapshotManager.cpp

Comparing:
trunk/src/brains/SimSnapshotManager.cpp (file contents), Revision 149 by tim, Mon Oct 25 04:08:14 2004 UTC vs.
branches/development/src/brains/SimSnapshotManager.cpp (file contents), Revision 1764 by gezelter, Tue Jul 3 18:32:27 2012 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]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	+	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42	+
43	+	#include "brains/SimInfo.hpp"
44	+	#include "brains/SimSnapshotManager.hpp"
45	+	#include "utils/simError.h"
46	+	namespace OpenMD {
47
48	<	namespace oopse {
48	>	SimSnapshotManager::SimSnapshotManager(SimInfo* info, int storageLayout)
49	>	: SnapshotManager(storageLayout), info_(info){
50
51	<	SimSnapshotManager::SimSnapshotManager(){
52	<	//allocate memory for snapshots
53	<	previousSnapshot_ = new Snapshot();
54	<	currentSnapshot_ = new Snapshot();
55	<	}
51	>	int nAtoms = info_->getNAtoms();
52	>	int nRigidBodies = info_->getNRigidBodies();
53	>	int nCutoffGroups = info_->getNCutoffGroups();
54	>
55	>	//allocate memory for snapshots
56	>	previousSnapshot_ = new Snapshot(nAtoms, nRigidBodies, nCutoffGroups, storageLayout);
57	>	currentSnapshot_ = new Snapshot(nAtoms, nRigidBodies, nCutoffGroups, storageLayout);
58	>	}
59
60	<	bool SimSnapshotManager::advance() {
60	>	SimSnapshotManager::~SimSnapshotManager(){
61	>	delete previousSnapshot_;
62	>	delete currentSnapshot_;
63	>	previousSnapshot_ = NULL;
64	>	currentSnapshot_ = NULL;
65	>	}
66	>	bool SimSnapshotManager::advance() {
67
68		*previousSnapshot_ = *currentSnapshot_;
69	<	}
69	>	currentSnapshot_->setID(currentSnapshot_->getID() + 1);
70	>	currentSnapshot_->clearDerivedProperties();
71	>	return true;
72	>	}
73
74	<	Snapshot* SimSnapshotManager::getSnapshot(int id) {
74	>	Snapshot* SimSnapshotManager::getSnapshot(int id) {
75		if (currentSnapshot_ != NULL && currentSnapshot_->getID() == id) {
76	<	return currentSnapshot_;
76	>	return currentSnapshot_;
77		} else if (previousSnapshot_!= NULL && previousSnapshot_->getID() == id) {
78	<	return previousSnapshot_;
78	>	return previousSnapshot_;
79		} else {
80	<	return NULL;
80	>	return NULL;
81		}
82	<	}
82	>	}
83
84	<	int SimSnapshotManager::getCapacity() {
84	>	int SimSnapshotManager::getCapacity() {
85		return 2;
86	<	}
86	>	}
87
88	<	void SimSnapshotManager::setCapacity(int capacity);
88	>	void SimSnapshotManager::setCapacity(int capacity) {
89		//give warning message
90	<	} //namespace oopse
90	>	sprintf( painCave.errMsg,
91	>	"SimSnapshotManager error: can not set capacity for SimSnapshotManager.\n" );
92	>	painCave.isFatal = 0;
93	>	simError();
94	>	}
95	>
96	>	} //namespace OpenMD

Comparing:
trunk/src/brains/SimSnapshotManager.cpp (property svn:keywords), Revision 149 by tim, Mon Oct 25 04:08:14 2004 UTC vs.
branches/development/src/brains/SimSnapshotManager.cpp (property svn:keywords), Revision 1764 by gezelter, Tue Jul 3 18:32:27 2012 UTC

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