--- trunk/src/brains/SimSnapshotManager.cpp	2004/10/25 04:08:14	149
+++ branches/development/src/brains/SimSnapshotManager.cpp	2010/07/09 23:08:25	1465
@@ -1,55 +1,93 @@
 /*
- * Copyright (C) 2000-2004  Object Oriented Parallel Simulation Engine (OOPSE) project
- * 
- * Contact: oopse@oopse.org
- * 
- * This program is free software; you can redistribute it and/or
- * modify it under the terms of the GNU Lesser General Public License
- * as published by the Free Software Foundation; either version 2.1
- * of the License, or (at your option) any later version.
- * All we ask is that proper credit is given for our work, which includes
- * - but is not limited to - adding the above copyright notice to the beginning
- * of your source code files, and to any copyright notice that you may distribute
- * with programs based on this work.
- * 
- * This program is distributed in the hope that it will be useful,
- * but WITHOUT ANY WARRANTY; without even the implied warranty of
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
- * GNU Lesser General Public License for more details.
- * 
- * You should have received a copy of the GNU Lesser General Public License
- * along with this program; if not, write to the Free Software
- * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA.
+ * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
  *
+ * The University of Notre Dame grants you ("Licensee") a
+ * non-exclusive, royalty free, license to use, modify and
+ * redistribute this software in source and binary code form, provided
+ * that the following conditions are met:
+ *
+ * 1. Redistributions of source code must retain the above copyright
+ *    notice, this list of conditions and the following disclaimer.
+ *
+ * 2. Redistributions in binary form must reproduce the above copyright
+ *    notice, this list of conditions and the following disclaimer in the
+ *    documentation and/or other materials provided with the
+ *    distribution.
+ *
+ * This software is provided "AS IS," without a warranty of any
+ * kind. All express or implied conditions, representations and
+ * warranties, including any implied warranty of merchantability,
+ * fitness for a particular purpose or non-infringement, are hereby
+ * excluded.  The University of Notre Dame and its licensors shall not
+ * be liable for any damages suffered by licensee as a result of
+ * using, modifying or distributing the software or its
+ * derivatives. In no event will the University of Notre Dame or its
+ * licensors be liable for any lost revenue, profit or data, or for
+ * direct, indirect, special, consequential, incidental or punitive
+ * damages, however caused and regardless of the theory of liability,
+ * arising out of the use of or inability to use software, even if the
+ * University of Notre Dame has been advised of the possibility of
+ * such damages.
+ *
+ * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
+ * research, please cite the appropriate papers when you publish your
+ * work.  Good starting points are:
+ *                                                                      
+ * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
+ * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
+ * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
+ * [4]  Vardeman & Gezelter, in progress (2009).                        
  */
+ 
+#include "brains/SimInfo.hpp"
+#include "brains/SimSnapshotManager.hpp"
+#include "utils/simError.h"
+namespace OpenMD {
 
-namespace oopse {
+  SimSnapshotManager::SimSnapshotManager(SimInfo* info, int storageLayout) 
+    : SnapshotManager(storageLayout), info_(info){
 
-SimSnapshotManager::SimSnapshotManager(){
-    //allocate memory for snapshots
-    previousSnapshot_ = new Snapshot();
-    currentSnapshot_ = new Snapshot();
-}
+      int nAtoms = info_->getNAtoms();
+      int nRigidBodies = info_->getNRigidBodies();
+    
+      //allocate memory for snapshots
+      previousSnapshot_ = new Snapshot(nAtoms, nRigidBodies, storageLayout);
+      currentSnapshot_ = new Snapshot(nAtoms, nRigidBodies, storageLayout);
+    }
 
-bool SimSnapshotManager::advance() {
+  SimSnapshotManager::~SimSnapshotManager(){
+    delete previousSnapshot_;
+    delete currentSnapshot_;
+    previousSnapshot_ = NULL;
+    currentSnapshot_ = NULL;
+  }
+  bool SimSnapshotManager::advance() {
 
     *previousSnapshot_ = *currentSnapshot_;
-}
+    currentSnapshot_->setID(currentSnapshot_->getID() + 1);    
+    return true;
+  }
 
-Snapshot* SimSnapshotManager::getSnapshot(int id) {
+  Snapshot* SimSnapshotManager::getSnapshot(int id) {
     if (currentSnapshot_ != NULL && currentSnapshot_->getID() == id) {
-        return currentSnapshot_;        
+      return currentSnapshot_;        
     } else if (previousSnapshot_!= NULL && previousSnapshot_->getID() == id) {
-        return previousSnapshot_;
+      return previousSnapshot_;
     } else {
-        return NULL;
+      return NULL;
     }
-}    
+  }    
 
-int SimSnapshotManager::getCapacity() {
+  int SimSnapshotManager::getCapacity() {
     return 2;
-}
+  }
 
-void SimSnapshotManager::setCapacity(int capacity);
+  void SimSnapshotManager::setCapacity(int capacity) {
     //give warning message
-} //namespace oopse
+    sprintf( painCave.errMsg,
+	     "SimSnapshotManager error: can not set capacity for SimSnapshotManager.\n" );
+    painCave.isFatal = 0;
+    simError();    
+  }
+
+} //namespace OpenMD