--- trunk/OOPSE/libBASS/Globals.hpp	2003/04/07 21:42:19	474
+++ trunk/OOPSE/libBASS/Globals.hpp	2003/08/20 19:41:37	706
@@ -1,13 +1,19 @@
 #ifndef __GLOBALS_H__
 #define __GLOBALS_H__
 
+#include <iostream>
+
 #include <cstdlib>
+#include <vector>
 
 #include "BASS_interface.h"
 #include "Component.hpp"
 #include "LinkedCommand.hpp"
 #include "MakeStamps.hpp"
+#include "ZconStamp.hpp"
 
+using namespace std;
+
 class Globals{
   
 public:
@@ -17,8 +23,11 @@ class Globals{ (public)
   
   int newComponent( event* the_event );
   int componentAssign( event* the_event );
-  int componentStartIndex( event* the_event );
   int componentEnd( event* the_event );
+
+  int newZconstraint( event* the_event );
+  int zConstraintAssign( event* the_event );
+  int zConstraintEnd( event* the_event );
   
   int globalAssign( event* the_event );
   int globalEnd( event* the_event );
@@ -28,11 +37,14 @@ class Globals{ (public)
   double getTargetTemp( void )      { return target_temp; }
   double getTargetPressure( void )  { return target_pressure; }
   double getQmass( void )           { return q_mass; }
-  double getTauRelax( void )        { return tau_relax; }
+  double getTauThermostat( void )   { return tau_thermostat; }
+  double getTauBarostat( void )     { return tau_barostat; }
   char*  getEnsemble( void )        { return ensemble; }
   double getDt( void )              { return dt; }
   double getRunTime( void )         { return run_time; }
   
+
+  int    getNzConstraints( void )   { return n_zConstraints; }
   char*  getInitialConfig( void )   { return initial_config; }
   char*  getFinalConfig( void )     { return final_config; }
   int    getNMol( void )            { return n_mol; }
@@ -51,6 +63,9 @@ class Globals{ (public)
   int    getPBC( void )             { return usePBC;}
   int    getUseRF( void )           { return useRF;}
   char*  getMixingRule( void)       { return mixingRule;}
+  double getZconsTime(void)         { return zcons_time;}
+  double getZconsTol(void)    { return zcons_tol;}
+  char* getZconsForcePolicy(void)  { return zconsForcePolicy;}
   
   short int haveInitialConfig( void ) { return have_initial_config; }
   short int haveFinalConfig( void )   { return have_final_config; }
@@ -69,10 +84,16 @@ class Globals{ (public)
   short int haveTempSet( void )       { return have_tempSet; }
   short int haveTargetPressure( void ){ return have_target_pressure; }
   short int haveQmass( void )         { return have_q_mass; }
-  short int haveTauRelax( void )      { return have_tau_relax;}
+  short int haveTauThermostat( void ) { return have_tau_thermostat;}
+  short int haveTauBarostat( void )   { return have_tau_barostat;}
+  short int haveZconstraintTime(void) { return have_zcons_time; }
+  short int haveZconstraints( void )  { return have_zConstraints;}
+  short int haveZconsTol(void) {return have_zcons_tol;}
+  short int haveZconsForcePolicy(void) { return have_zcons_force_policy;}
   
   /* other accessors */
   Component** getComponents( void ) { return components; }
+  ZconStamp** getZconStamp( void ) { return zConstraints; }
   
 private:
   
@@ -86,8 +107,13 @@ class Globals{ (public)
   
   Component* current_component;
   Component** components; // the array of components
+
+  ZconStamp* current_zConstraint;
+  ZconStamp** zConstraints; // the array of zConstraints
+
   char force_field[100];
   int n_components;
+  int n_zConstraints;
   double target_temp;
   double target_pressure;
   char ensemble[100];
@@ -110,8 +136,14 @@ class Globals{ (public)
   int usePBC;
   int useRF;
   double q_mass;
-  double tau_relax;
+  double tau_thermostat;
+  double tau_barostat;
+  double zcons_time;	
+  double zcons_tol;
+  char zconsForcePolicy[100];
+  int seed;
 
+
   //required arguments
   short int have_force_field, have_n_components, have_target_temp;
   short int have_target_pressure, have_ensemble, have_dt, have_run_time;
@@ -121,8 +153,10 @@ class Globals{ (public)
   short int have_density, have_box, have_box_x, have_box_y, have_box_z;
   short int have_sample_time, have_status_time, have_ecr, have_dielectric;
   short int have_tempSet, have_thermal_time, have_est, have_q_mass;
-  short int have_tau_relax;
-  
+  short int have_tau_thermostat, have_tau_barostat;
+  short int have_zcons_time, have_zConstraints, have_n_zConstraints;
+  short int have_zcons_tol, have_seed;   
+  short int have_zcons_force_policy;
 
 };