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root/group/trunk/OOPSE/libBASS/Globals.hpp
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Comparing trunk/OOPSE/libBASS/Globals.hpp (file contents):
Revision 675 by mmeineke, Mon Aug 11 19:38:44 2003 UTC vs.
Revision 747 by gezelter, Fri Sep 5 21:28:52 2003 UTC

# Line 1 | Line 1
1   #ifndef __GLOBALS_H__
2   #define __GLOBALS_H__
3  
4 + #include <iostream>
5 +
6   #include <cstdlib>
7   #include <vector>
8  
# Line 53 | Line 55 | class Globals{ (public)
55    double getBoxZ( void )            { return box_z; }
56    double getSampleTime( void )      { return sample_time; }
57    double getStatusTime( void )      { return status_time; }
58 +  double getResetTime( void )      { return resetTime; }
59    double getThermalTime( void )     { return thermal_time; }
60    double getDielectric( void )      { return dielectric; }
61    double getECR( void)              { return ecr; }
# Line 61 | Line 64 | class Globals{ (public)
64    int    getPBC( void )             { return usePBC;}
65    int    getUseRF( void )           { return useRF;}
66    char*  getMixingRule( void)       { return mixingRule;}
67 <  double getZConsTime(void)         { return zcons_time;}
67 >  double getZconsTime(void)         { return zcons_time;}
68 >  double getZconsTol(void)    { return zcons_tol;}
69 >  char* getZconsForcePolicy(void)  { return zconsForcePolicy;}
70 >  int getSeed(void) { return seed;}
71    
72    short int haveInitialConfig( void ) { return have_initial_config; }
73    short int haveFinalConfig( void )   { return have_final_config; }
# Line 72 | Line 78 | class Globals{ (public)
78    short int haveBoxY( void )          { return have_box_y; }
79    short int haveBoxZ( void )          { return have_box_z; }
80    short int haveSampleTime( void )    { return have_sample_time; }
81 +  short int haveResetTime( void )     { return have_reset_time; }
82    short int haveStatusTime( void )    { return have_status_time; }
83    short int haveThermalTime( void )   { return have_thermal_time; }
84    short int haveECR( void )           { return have_ecr; }
# Line 82 | Line 89 | class Globals{ (public)
89    short int haveQmass( void )         { return have_q_mass; }
90    short int haveTauThermostat( void ) { return have_tau_thermostat;}
91    short int haveTauBarostat( void )   { return have_tau_barostat;}
92 <  short int haveZconstraintTime(void) { return have_zcon_time; }
92 >  short int haveZconstraintTime(void) { return have_zcons_time; }
93    short int haveZconstraints( void )  { return have_zConstraints;}
94 <  
94 >  short int haveZconsTol(void) {return have_zcons_tol;}
95 >  short int haveZconsForcePolicy(void) { return have_zcons_force_policy;}
96 >  short int haveSeed(void) { return have_seed;}
97    /* other accessors */
98    Component** getComponents( void ) { return components; }
99 <  ZconStamp** getZconstraints( void ) { return zConstraints; }
99 >  ZconStamp** getZconStamp( void ) { return zConstraints; }
100    
101   private:
102    
103 <  static const int hash_size = 23;
104 <  static const int hash_shift = 4;
103 >  int hash_size;
104 >  int hash_shift;
105    int hash( char* text );
106    void addHash( char* text, int token );
107    LinkedCommand** command_table;
# Line 122 | Line 131 | class Globals{ (public)
131    double box_x, box_y, box_z;
132    double sample_time;
133    double status_time;
134 +  double resetTime;
135    double thermal_time;
136    double ecr;
137    double est;
# Line 132 | Line 142 | class Globals{ (public)
142    double q_mass;
143    double tau_thermostat;
144    double tau_barostat;
145 <  double zcons_time;
145 >  double zcons_time;    
146 >  double zcons_tol;
147 >  char zconsForcePolicy[100];
148 >  int seed;
149  
150    //required arguments
151    short int have_force_field, have_n_components, have_target_temp;
# Line 144 | Line 157 | class Globals{ (public)
157    short int have_sample_time, have_status_time, have_ecr, have_dielectric;
158    short int have_tempSet, have_thermal_time, have_est, have_q_mass;
159    short int have_tau_thermostat, have_tau_barostat;
160 <  short int have_zcon_time, have_zConstraints, have_n_zConstraints;  
160 >  short int have_zcons_time, have_zConstraints, have_n_zConstraints;
161 >  short int have_zcons_tol, have_seed;  
162 >  short int have_zcons_force_policy, have_reset_time;
163  
164   };
165  

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