--- trunk/src/io/ZConsWriter.hpp	2004/09/24 16:27:58	3
+++ branches/development/src/io/ZConsWriter.hpp	2010/07/09 23:08:25	1465
@@ -1,5 +1,46 @@
-#ifndef __ZCONSWRITER_H__
-#define __ZCONSWRITER_H__
+/*
+ * 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).                        
+ */
+ 
+#ifndef IO_ZCONSWRITER_HPP
+#define IO_ZCONSWRITER_HPP
 
 #define _LARGEFILE_SOURCE64
 # ifndef _FILE_OFFSET_BITS
@@ -8,28 +49,28 @@
 
 #include <iostream>
 #include <fstream>
+#include <string>
 
-#include "utils/GenericData.hpp"
+#include "brains/SimInfo.hpp"
+#include "constraints/ZconsStruct.hpp"
 
-#ifdef IS_MPI
-#include <mpi.h>
-#include "brains/mpiSimulation.hpp"
-#endif
+namespace OpenMD {
 
-using namespace std;
+  class ZConsWriter {
 
-class ZConsWriter {
+  public:
+    ZConsWriter(SimInfo* info, const std::string& filename);
+    ~ZConsWriter();  
 
-public:
-  ZConsWriter(const char* filename, vector<ZConsParaItem>* thePara);
-  ~ZConsWriter();  
-  
-  void writeFZ(double time, int num, int* index, double* fz, double* curZPos, double* zpos);
-  
-private:
-  void writeZPos();
-  ofstream output;
-  vector<ZConsParaItem>* parameters;
-};
+    void writeFZ(const std::list<ZconstraintMol>& fixedZmols);
+          
+  private:
+    void writeZPos();
 
+    SimInfo* info_;
+    std::ofstream output_;
+
+  };
+
+}
 #endif