--- trunk/src/io/DumpWriter.hpp	2005/02/24 20:55:07	376
+++ branches/development/src/io/DumpWriter.hpp	2010/07/09 23:08:25	1465
@@ -1,24 +1,15 @@
- /*
- * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
+/*
+ * Copyright (c) 2009 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. 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).                        
  */
  
 #ifndef IO_DUMPWRITER_HPP
@@ -61,32 +61,40 @@
 #include "brains/Thermo.hpp"
 #include "primitives/StuntDouble.hpp"
 
-namespace oopse {
+namespace OpenMD {
 
-/**
- * @class DumpWriter DumpWriter.hpp "io/DumpWriter.hpp"
- * @todo 
- */
-class DumpWriter{
+  /**
+   * @class DumpWriter DumpWriter.hpp "io/DumpWriter.hpp"
+   * @todo 
+   */
+  class DumpWriter{
 
-    public:
-        DumpWriter(SimInfo* info);
-        DumpWriter(SimInfo* info, const std::string& filename);
-        ~DumpWriter();
+  public:
+    DumpWriter(SimInfo* info);
+    DumpWriter(SimInfo* info, const std::string& filename);
+    DumpWriter(SimInfo* info, const std::string& filename,  bool writeDumpFile);
+    ~DumpWriter();
 
-        void writeDumpAndEor();
-        void writeDump();
-        void writeEor();
+    void writeDumpAndEor();
+    void writeDump();
+    void writeEor();
+    
+  private:  
         
-    private:  
-        
-        void writeFrame(std::ostream& os);
-        void writeCommentLine(std::ostream& os, Snapshot* s);
-        SimInfo* info_;
-        std::string filename_;
-        std::ofstream dumpFile_;
-        std::string eorFilename_;
-};
+    void writeFrame(std::ostream& os);
+    void writeFrameProperties(std::ostream& os, Snapshot* s);
+    std::string prepareDumpLine(StuntDouble* integrableObject);
+    std::ostream* createOStream(const std::string& filename);
+    void writeClosing(std::ostream& os);
+    
+    SimInfo* info_;
+    std::string filename_;
+    std::ostream* dumpFile_;
+    std::string eorFilename_;
+    bool needCompression_;
+    bool needForceVector_;
+    bool createDumpFile_;
+  };
 
 }
 #endif //#define IO_DUMPWRITER_HPP