48 |
|
#define G_TAUBAROSTAT 27 |
49 |
|
#define G_ZCONSTIME 28 |
50 |
|
#define G_NZCONSTRAINTS 29 |
51 |
+ |
#define G_ZCONSTOL 30 |
52 |
+ |
#define G_ZCONSFORCEPOLICY 31 |
53 |
+ |
#define G_SEED 32 |
54 |
|
|
52 |
– |
|
55 |
|
Globals::Globals(){ |
56 |
|
|
57 |
|
int i; |
92 |
|
addHash( "tauBarostat", G_TAUBAROSTAT); |
93 |
|
addHash( "zconsTime", G_ZCONSTIME); |
94 |
|
addHash( "nZconstraints", G_NZCONSTRAINTS); |
95 |
< |
|
95 |
> |
addHash( "zconsTol", G_ZCONSTOL); |
96 |
> |
addHash( "zconsForcePolicy", G_ZCONSFORCEPOLICY); |
97 |
> |
addHash( "seed", G_SEED); |
98 |
> |
|
99 |
> |
|
100 |
|
// define some default values |
101 |
|
|
102 |
|
strcpy( mixingRule,"standard"); //default mixing rules to standard. |
130 |
|
have_q_mass = 0; |
131 |
|
have_tau_thermostat = 0; |
132 |
|
have_tau_barostat = 0; |
133 |
< |
have_zcon_time = 0; |
133 |
> |
have_zcons_time = 0; |
134 |
|
have_n_zConstraints = 0; |
135 |
|
have_zConstraints = 0; |
136 |
< |
} |
136 |
> |
have_zcons_tol = 0; |
137 |
> |
have_seed = 0; |
138 |
|
|
139 |
+ |
} |
140 |
+ |
|
141 |
|
Globals::~Globals(){ |
142 |
|
int i; |
143 |
|
|
255 |
|
|
256 |
|
case STRING: |
257 |
|
return current_zConstraint->assignString( the_event->evt.asmt.lhs, |
258 |
< |
the_event->evt.asmt.rhs.sval, |
259 |
< |
&(the_event->err_msg)); |
258 |
> |
the_event->evt.asmt.rhs.sval, |
259 |
> |
&(the_event->err_msg)); |
260 |
|
break; |
261 |
|
|
262 |
|
case DOUBLE: |
263 |
|
return current_zConstraint->assignDouble( the_event->evt.asmt.lhs, |
264 |
< |
the_event->evt.asmt.rhs.dval, |
265 |
< |
&(the_event->err_msg)); |
264 |
> |
the_event->evt.asmt.rhs.dval, |
265 |
> |
&(the_event->err_msg)); |
266 |
|
break; |
267 |
|
|
268 |
|
case INT: |
269 |
|
return current_zConstraint->assignInt( the_event->evt.asmt.lhs, |
270 |
< |
the_event->evt.asmt.rhs.ival, |
271 |
< |
&(the_event->err_msg)); |
270 |
> |
the_event->evt.asmt.rhs.ival, |
271 |
> |
&(the_event->err_msg)); |
272 |
|
break; |
273 |
|
|
274 |
|
default: |
726 |
|
} |
727 |
|
break; |
728 |
|
|
729 |
< |
case G_THERMALTIME: |
729 |
> |
case G_THERMALTIME: |
730 |
|
switch( the_type ){ |
731 |
|
|
732 |
|
case STRING: |
984 |
|
} |
985 |
|
break; |
986 |
|
|
987 |
< |
case G_ZCONSTIME: |
987 |
> |
case G_ZCONSTIME: |
988 |
|
switch( the_type ){ |
989 |
|
|
990 |
|
case STRING: |
995 |
|
|
996 |
|
case DOUBLE: |
997 |
|
zcons_time = the_event->evt.asmt.rhs.dval; |
998 |
+ |
have_zcons_time = 1; |
999 |
|
return 1; |
1000 |
|
break; |
1001 |
|
|
1002 |
|
case INT: |
1003 |
|
zcons_time = (double)the_event->evt.asmt.rhs.ival; |
1004 |
< |
have_zcon_time = 1; |
1004 |
> |
have_zcons_time = 1; |
1005 |
|
return 1; |
1006 |
|
break; |
1007 |
|
|
1012 |
|
break; |
1013 |
|
} |
1014 |
|
break; |
1015 |
+ |
|
1016 |
+ |
case G_ZCONSTOL: |
1017 |
+ |
switch( the_type ){ |
1018 |
+ |
|
1019 |
+ |
case STRING: |
1020 |
+ |
the_event->err_msg = |
1021 |
+ |
strdup( "Global error. zcons_tol is not a double or int.\n" ); |
1022 |
+ |
return 0; |
1023 |
+ |
break; |
1024 |
+ |
|
1025 |
+ |
case DOUBLE: |
1026 |
+ |
zcons_tol = the_event->evt.asmt.rhs.dval; |
1027 |
+ |
have_zcons_tol = 1; |
1028 |
+ |
return 1; |
1029 |
+ |
break; |
1030 |
+ |
|
1031 |
+ |
case INT: |
1032 |
+ |
zcons_tol = (double)the_event->evt.asmt.rhs.ival; |
1033 |
+ |
have_zcons_tol = 1; |
1034 |
+ |
return 1; |
1035 |
+ |
break; |
1036 |
+ |
|
1037 |
+ |
default: |
1038 |
+ |
the_event->err_msg = |
1039 |
+ |
strdup( "Global error. zcons_ol unrecognized.\n" ); |
1040 |
+ |
return 0; |
1041 |
+ |
break; |
1042 |
+ |
} |
1043 |
+ |
break; |
1044 |
|
|
1045 |
+ |
case G_ZCONSFORCEPOLICY: |
1046 |
+ |
switch( the_type ){ |
1047 |
+ |
|
1048 |
+ |
case STRING: |
1049 |
+ |
strcpy(zconsForcePolicy, the_event->evt.asmt.rhs.sval); |
1050 |
|
|
1051 |
+ |
for(int i = 0; zconsForcePolicy[i] != '\0'; i++) |
1052 |
+ |
{ |
1053 |
+ |
zconsForcePolicy[i] = toupper(zconsForcePolicy[i]); |
1054 |
+ |
} |
1055 |
+ |
have_zcons_force_policy = 1; |
1056 |
+ |
return 1; |
1057 |
+ |
break; |
1058 |
+ |
|
1059 |
+ |
case DOUBLE: |
1060 |
+ |
the_event->err_msg = |
1061 |
+ |
strdup( "Global error. zconsForcePolicy is not a double or int.\n" ); |
1062 |
+ |
return 0; |
1063 |
+ |
break; |
1064 |
+ |
|
1065 |
+ |
case INT: |
1066 |
+ |
the_event->err_msg = |
1067 |
+ |
strdup( "Global error. zconsForcePolicy is not a double or int.\n" ); |
1068 |
+ |
return 0; |
1069 |
+ |
break; |
1070 |
+ |
|
1071 |
+ |
default: |
1072 |
+ |
the_event->err_msg = |
1073 |
+ |
strdup( "Global error. zconsForcePolicy unrecognized.\n" ); |
1074 |
+ |
return 0; |
1075 |
+ |
break; |
1076 |
+ |
} |
1077 |
+ |
break; |
1078 |
|
// add more token cases here. |
1079 |
+ |
case G_SEED: |
1080 |
+ |
switch( the_type ){ |
1081 |
+ |
|
1082 |
+ |
case STRING: |
1083 |
+ |
the_event->err_msg = |
1084 |
+ |
strdup( "Global error. seed is not a string.\n" ); |
1085 |
+ |
return 0; |
1086 |
+ |
return 0; |
1087 |
+ |
break; |
1088 |
+ |
|
1089 |
+ |
case DOUBLE: |
1090 |
+ |
have_seed = 1; |
1091 |
+ |
seed = (int)the_event->evt.asmt.rhs.dval; |
1092 |
+ |
return 1; |
1093 |
+ |
break; |
1094 |
+ |
|
1095 |
+ |
case INT: |
1096 |
+ |
have_seed = 1; |
1097 |
+ |
seed = the_event->evt.asmt.rhs.ival ; |
1098 |
+ |
return 1; |
1099 |
+ |
break; |
1100 |
+ |
|
1101 |
+ |
default: |
1102 |
+ |
the_event->err_msg = |
1103 |
+ |
strdup( "Global error. seed unrecognized.\n" ); |
1104 |
+ |
return 0; |
1105 |
+ |
break; |
1106 |
+ |
} |
1107 |
+ |
break; |
1108 |
+ |
// add more token cases here. |
1109 |
|
|
1110 |
|
} |
1111 |
|
} |