--- trunk/src/io/Globals.cpp	2004/09/24 16:27:58	3
+++ trunk/src/io/Globals.cpp	2005/01/25 17:45:23	273
@@ -1,3 +1,44 @@
+ /*
+ * 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. 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
+ *    notice, this list of conditions and the following disclaimer.
+ *
+ * 3. 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.
+ */
+ 
 #include <stdlib.h>
 #include <stdio.h>
 #include <string.h>
@@ -71,7 +112,7 @@
 #define G_THERM_INT_LAMBDA  50
 #define G_THERM_INT_K       51
 #define G_FORCEFIELD_VARIANT 52
-
+#define G_FORCEFIELD_FILENAME 53
 Globals::Globals(){
   initalize();
 }
@@ -155,7 +196,8 @@ void Globals::initalize(){
   addHash( "thermodynamicIntegrationLambda",       G_THERM_INT_LAMBDA);
   addHash( "thermodynamicIntegrationK",            G_THERM_INT_K);
   addHash( "forceFieldVariant",                    G_FORCEFIELD_VARIANT);
-
+  addHash( "forceFieldFileName",                    G_FORCEFIELD_FILENAME);
+  
   strcpy( mixingRule,"standard");  //default mixing rules to standard.
   usePBC = 1; //default  periodic boundry conditions to on
   useRF  = 0;
@@ -212,6 +254,7 @@ void Globals::initalize(){
   have_thermodynamic_integration_lambda = 0;
   have_thermodynamic_integration_k = 0;
   have_forcefield_variant = 0;
+  have_forcefield_filename = 0; 
 
 }
 
@@ -1389,13 +1432,13 @@ int Globals::globalAssign( event* the_event ){
 
       case STRING:
         the_event->err_msg = 
-          strdup( "Error in parsing meta-data file!\n\tminimizer_writefrq is not a double or int.\n" );
+          strdup( "Error in parsing meta-data file!\n\tminimizer_writefrq is not an int.\n" );
         return 1;
         break;
         
       case DOUBLE:
-        minimizer_writefrq= the_event->evt.asmt.rhs.dval;
-        have_minimizer_writefrq = 1;
+        the_event->err_msg = 
+          strdup( "Error in parsing meta-data file!\n\tminimizer_writefrq is not an  int.\n" );
         return 1;
         break;
         
@@ -1505,13 +1548,13 @@ int Globals::globalAssign( event* the_event ){
 
       case STRING:
         the_event->err_msg = 
-          strdup( "Error in parsing meta-data file!\n\tminimizer_ls_maxiteration is not a double or int.\n" );
+          strdup( "Error in parsing meta-data file!\n\tminimizer_ls_maxiteration is not an int.\n" );
         return 1;
         break;
         
       case DOUBLE:
-        minimizer_ls_maxiteration = the_event->evt.asmt.rhs.dval;
-        have_minimizer_ls_maxiteration = 1;
+        the_event->err_msg = 
+          strdup( "Error in parsing meta-data file!\n\tminimizer_ls_maxiteration is not an int.\n" );
         return 1;
         break;
         
@@ -1694,6 +1737,19 @@ int Globals::globalAssign( event* the_event ){
       return 0;
       break;      
       // add more token cases here.      
+
+    case G_FORCEFIELD_FILENAME:
+      if( the_type == STRING ){
+	strcpy( forcefield_filename, the_event->evt.asmt.rhs.sval );
+	have_forcefield_filename = 1;
+	return 1;
+      }
+      
+      the_event->err_msg = 
+	strdup( "Error in parsing meta-data file!\n\tforceFieldFileName was not a string assignment.\n" );
+      return 0;
+      break;      
+      // add more token cases here.      
     }
   }