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; } |
66 |
|
char* getMixingRule( void) { return mixingRule;} |
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; } |
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; } |
92 |
|
short int haveZconstraintTime(void) { return have_zcons_time; } |
93 |
|
short int haveZconstraints( void ) { return have_zConstraints;} |
94 |
|
short int haveZconsTol(void) {return have_zcons_tol;} |
95 |
< |
|
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** 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; |
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; |
144 |
|
double tau_barostat; |
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; |
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_zcons_time, have_zConstraints, have_n_zConstraints, have_zcons_tol; |
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 |
|
|