| 48 |
|
#define G_TAUBAROSTAT 27 |
| 49 |
|
#define G_ZCONSTIME 28 |
| 50 |
|
#define G_NZCONSTRAINTS 29 |
| 51 |
+ |
#define G_ZCONSTOL 30 |
| 52 |
|
|
| 52 |
– |
|
| 53 |
|
Globals::Globals(){ |
| 54 |
|
|
| 55 |
|
int i; |
| 90 |
|
addHash( "tauBarostat", G_TAUBAROSTAT); |
| 91 |
|
addHash( "zconsTime", G_ZCONSTIME); |
| 92 |
|
addHash( "nZconstraints", G_NZCONSTRAINTS); |
| 93 |
< |
|
| 93 |
> |
addHash( "zconsTol", G_ZCONSTOL); |
| 94 |
> |
|
| 95 |
|
// define some default values |
| 96 |
|
|
| 97 |
|
strcpy( mixingRule,"standard"); //default mixing rules to standard. |
| 125 |
|
have_q_mass = 0; |
| 126 |
|
have_tau_thermostat = 0; |
| 127 |
|
have_tau_barostat = 0; |
| 128 |
< |
have_zcon_time = 0; |
| 128 |
> |
have_zcons_time = 0; |
| 129 |
|
have_n_zConstraints = 0; |
| 130 |
|
have_zConstraints = 0; |
| 131 |
< |
} |
| 131 |
> |
have_zcons_tol = 0; |
| 132 |
|
|
| 133 |
+ |
|
| 134 |
+ |
strcpy( initial_config, "./fooBar" ); |
| 135 |
+ |
|
| 136 |
+ |
} |
| 137 |
+ |
|
| 138 |
|
Globals::~Globals(){ |
| 139 |
|
int i; |
| 140 |
|
|
| 252 |
|
|
| 253 |
|
case STRING: |
| 254 |
|
return current_zConstraint->assignString( the_event->evt.asmt.lhs, |
| 255 |
< |
the_event->evt.asmt.rhs.sval, |
| 256 |
< |
&(the_event->err_msg)); |
| 255 |
> |
the_event->evt.asmt.rhs.sval, |
| 256 |
> |
&(the_event->err_msg)); |
| 257 |
|
break; |
| 258 |
|
|
| 259 |
|
case DOUBLE: |
| 260 |
|
return current_zConstraint->assignDouble( the_event->evt.asmt.lhs, |
| 261 |
< |
the_event->evt.asmt.rhs.dval, |
| 262 |
< |
&(the_event->err_msg)); |
| 261 |
> |
the_event->evt.asmt.rhs.dval, |
| 262 |
> |
&(the_event->err_msg)); |
| 263 |
|
break; |
| 264 |
|
|
| 265 |
|
case INT: |
| 266 |
|
return current_zConstraint->assignInt( the_event->evt.asmt.lhs, |
| 267 |
< |
the_event->evt.asmt.rhs.ival, |
| 268 |
< |
&(the_event->err_msg)); |
| 267 |
> |
the_event->evt.asmt.rhs.ival, |
| 268 |
> |
&(the_event->err_msg)); |
| 269 |
|
break; |
| 270 |
|
|
| 271 |
|
default: |
| 723 |
|
} |
| 724 |
|
break; |
| 725 |
|
|
| 726 |
< |
case G_THERMALTIME: |
| 726 |
> |
case G_THERMALTIME: |
| 727 |
|
switch( the_type ){ |
| 728 |
|
|
| 729 |
|
case STRING: |
| 981 |
|
} |
| 982 |
|
break; |
| 983 |
|
|
| 984 |
< |
case G_ZCONSTIME: |
| 984 |
> |
case G_ZCONSTIME: |
| 985 |
|
switch( the_type ){ |
| 986 |
|
|
| 987 |
|
case STRING: |
| 992 |
|
|
| 993 |
|
case DOUBLE: |
| 994 |
|
zcons_time = the_event->evt.asmt.rhs.dval; |
| 995 |
+ |
have_zcons_time = 1; |
| 996 |
|
return 1; |
| 997 |
|
break; |
| 998 |
|
|
| 999 |
|
case INT: |
| 1000 |
|
zcons_time = (double)the_event->evt.asmt.rhs.ival; |
| 1001 |
< |
have_zcon_time = 1; |
| 1001 |
> |
have_zcons_time = 1; |
| 1002 |
|
return 1; |
| 1003 |
|
break; |
| 1004 |
|
|
| 1009 |
|
break; |
| 1010 |
|
} |
| 1011 |
|
break; |
| 1012 |
+ |
|
| 1013 |
+ |
case G_ZCONSTOL: |
| 1014 |
+ |
switch( the_type ){ |
| 1015 |
+ |
|
| 1016 |
+ |
case STRING: |
| 1017 |
+ |
the_event->err_msg = |
| 1018 |
+ |
strdup( "Global error. zcons_tol is not a double or int.\n" ); |
| 1019 |
+ |
return 0; |
| 1020 |
+ |
break; |
| 1021 |
+ |
|
| 1022 |
+ |
case DOUBLE: |
| 1023 |
+ |
zcons_tol = the_event->evt.asmt.rhs.dval; |
| 1024 |
+ |
have_zcons_tol = 1; |
| 1025 |
+ |
return 1; |
| 1026 |
+ |
break; |
| 1027 |
+ |
|
| 1028 |
+ |
case INT: |
| 1029 |
+ |
zcons_tol = (double)the_event->evt.asmt.rhs.ival; |
| 1030 |
+ |
have_zcons_tol = 1; |
| 1031 |
+ |
return 1; |
| 1032 |
+ |
break; |
| 1033 |
+ |
|
| 1034 |
+ |
default: |
| 1035 |
+ |
the_event->err_msg = |
| 1036 |
+ |
strdup( "Global error. zcons_ol unrecognized.\n" ); |
| 1037 |
+ |
return 0; |
| 1038 |
+ |
break; |
| 1039 |
+ |
} |
| 1040 |
+ |
break; |
| 1041 |
|
|
| 1042 |
|
|
| 1043 |
|
// add more token cases here. |