--- trunk/src/primitives/Molecule.cpp	2008/07/14 12:35:58	1277
+++ branches/development/src/primitives/Molecule.cpp	2010/07/09 23:08:25	1465
@@ -6,19 +6,10 @@
  * redistribute this software in source and binary code form, provided
  * that the following conditions are met:
  *
- * 1. Acknowledgement of the program authors must be made in any
- *    publication of scientific results based in part on use of the
- *    program.  An acceptable form of acknowledgement is citation of
- *    the article in which the program was described (Matthew
- *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
- *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
- *    Parallel Simulation Engine for Molecular Dynamics,"
- *    J. Comput. Chem. 26, pp. 252-271 (2005))
- *
- * 2. Redistributions of source code must retain the above copyright
+ * 1. Redistributions of source code must retain the above copyright
  *    notice, this list of conditions and the following disclaimer.
  *
- * 3. Redistributions in binary form must reproduce the above copyright
+ * 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.
@@ -37,6 +28,15 @@
  * 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).                        
  */
  
 /**
@@ -53,7 +53,7 @@
 #include "utils/MemoryUtils.hpp"
 #include "utils/simError.h"
 
-namespace oopse {
+namespace OpenMD {
   Molecule::Molecule(int stampId, int globalIndex, const std::string& molName) 
     : stampId_(stampId), globalIndex_(globalIndex), moleculeName_(molName) {
   }
@@ -275,6 +275,33 @@ namespace oopse {
     
   }
   
+  void Molecule::addProperty(GenericData* genData) {
+    properties_.addProperty(genData);  
+  }
+
+  void Molecule::removeProperty(const std::string& propName) {
+    properties_.removeProperty(propName);  
+  }
+
+  void Molecule::clearProperties() {
+    properties_.clearProperties(); 
+  }
+
+  std::vector<std::string> Molecule::getPropertyNames() {
+    return properties_.getPropertyNames();  
+  }
+      
+  std::vector<GenericData*> Molecule::getProperties() { 
+    return properties_.getProperties(); 
+  }
+
+  GenericData* Molecule::getPropertyByName(const std::string& propName) {
+    return properties_.getPropertyByName(propName); 
+  }
+
+
+
+
   std::ostream& operator <<(std::ostream& o, Molecule& mol) {
     o << std::endl;
     o << "Molecule " << mol.getGlobalIndex() << "has: " << std::endl;
@@ -290,4 +317,4 @@ namespace oopse {
     return o;
   }
   
-}//end namespace oopse
+}//end namespace OpenMD