1 |
< |
#include <cstdlib> |
2 |
< |
#include <cstdio> |
3 |
< |
#include <cstring> |
1 |
> |
#include <stdlib.h> |
2 |
> |
#include <stdio.h> |
3 |
> |
#include <string.h> |
4 |
|
|
5 |
|
#include "Globals.hpp" |
6 |
|
#include "simError.h" |
17 |
|
*/ |
18 |
|
|
19 |
|
//required parameters |
20 |
< |
#define G_FORCEFIELD 1 |
21 |
< |
#define G_NCOMPONENTS 2 |
22 |
< |
#define G_TARGETTEMP 3 |
23 |
< |
#define G_ENSEMBLE 4 |
24 |
< |
#define G_DT 5 |
25 |
< |
#define G_RUNTIME 6 |
20 |
> |
#define G_FORCEFIELD 1 |
21 |
> |
#define G_NCOMPONENTS 2 |
22 |
> |
#define G_TARGETTEMP 3 |
23 |
> |
#define G_ENSEMBLE 4 |
24 |
> |
#define G_DT 5 |
25 |
> |
#define G_RUNTIME 6 |
26 |
|
|
27 |
|
//optional parameters |
28 |
< |
#define G_INITIALCONFIG 7 |
29 |
< |
#define G_FINALCONFIG 8 |
30 |
< |
#define G_NMOL 9 |
31 |
< |
#define G_DENSITY 10 |
32 |
< |
#define G_BOX 11 |
33 |
< |
#define G_BOXX 12 |
34 |
< |
#define G_BOXY 13 |
35 |
< |
#define G_BOXZ 14 |
36 |
< |
#define G_SAMPLETIME 15 |
37 |
< |
#define G_STATUSTIME 16 |
38 |
< |
#define G_ECR 17 |
39 |
< |
#define G_DIELECTRIC 18 |
40 |
< |
#define G_TEMPSET 19 |
41 |
< |
#define G_THERMALTIME 20 |
42 |
< |
#define G_USEPBC 21 |
43 |
< |
#define G_MIXINGRULE 22 |
44 |
< |
#define G_EST 23 |
45 |
< |
#define G_USERF 24 |
46 |
< |
#define G_TARGETPRESSURE 25 |
47 |
< |
#define G_TAUTHERMOSTAT 26 |
48 |
< |
#define G_TAUBAROSTAT 27 |
49 |
< |
#define G_ZCONSTIME 28 |
50 |
< |
#define G_NZCONSTRAINTS 29 |
51 |
< |
#define G_ZCONSTOL 30 |
28 |
> |
#define G_INITIALCONFIG 7 |
29 |
> |
#define G_FINALCONFIG 8 |
30 |
> |
#define G_NMOL 9 |
31 |
> |
#define G_DENSITY 10 |
32 |
> |
#define G_BOX 11 |
33 |
> |
#define G_BOXX 12 |
34 |
> |
#define G_BOXY 13 |
35 |
> |
#define G_BOXZ 14 |
36 |
> |
#define G_SAMPLETIME 15 |
37 |
> |
#define G_STATUSTIME 16 |
38 |
> |
#define G_ECR 17 |
39 |
> |
#define G_DIELECTRIC 18 |
40 |
> |
#define G_TEMPSET 19 |
41 |
> |
#define G_THERMALTIME 20 |
42 |
> |
#define G_USEPBC 21 |
43 |
> |
#define G_MIXINGRULE 22 |
44 |
> |
#define G_EST 23 |
45 |
> |
#define G_USERF 24 |
46 |
> |
#define G_TARGETPRESSURE 25 |
47 |
> |
#define G_TAUTHERMOSTAT 26 |
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 |
> |
#define G_RESETTIME 33 |
55 |
> |
#define G_USEINITTIME 34 |
56 |
> |
#define G_USEINIT_XS_STATE 35 |
57 |
> |
#define G_ORTHOBOXTOLERANCE 36 |
58 |
> |
#define G_LJRCUT 37 |
59 |
> |
#define G_MINIMIZER 38 |
60 |
> |
#define G_MIN_MAXITER 39 |
61 |
> |
#define G_MIN_WRITEFRQ 40 |
62 |
> |
#define G_MIN_STEPSIZE 41 |
63 |
> |
#define G_MIN_FTOL 42 |
64 |
> |
#define G_MIN_GTOL 43 |
65 |
> |
#define G_MIN_LSTOL 44 |
66 |
> |
#define G_MIN_LSMAXITER 45 |
67 |
> |
#define G_ZCONSGAP 46 |
68 |
> |
#define G_ZCONSFIXTIME 47 |
69 |
> |
#define G_ZCONSUSINGSMD 48 |
70 |
> |
#define G_USEMOLECULARCUTOFFS 49 |
71 |
|
|
72 |
|
Globals::Globals(){ |
73 |
|
|
74 |
|
int i; |
75 |
+ |
|
76 |
+ |
hash_size = 23; |
77 |
+ |
hash_shift = 4; |
78 |
|
|
79 |
|
components = NULL; |
80 |
|
|
98 |
|
addHash( "boxY", G_BOXY ); |
99 |
|
addHash( "boxZ", G_BOXZ ); |
100 |
|
addHash( "sampleTime", G_SAMPLETIME ); |
101 |
+ |
addHash( "resetTime", G_RESETTIME ); |
102 |
|
addHash( "statusTime", G_STATUSTIME ); |
103 |
|
addHash( "electrostaticCutoffRadius", G_ECR ); |
104 |
|
addHash( "dielectric", G_DIELECTRIC ); |
113 |
|
addHash( "tauBarostat", G_TAUBAROSTAT); |
114 |
|
addHash( "zconsTime", G_ZCONSTIME); |
115 |
|
addHash( "nZconstraints", G_NZCONSTRAINTS); |
116 |
< |
addHash( "zconsTol", G_ZCONSTOL); |
117 |
< |
|
118 |
< |
// define some default values |
116 |
> |
addHash( "zconsTol", G_ZCONSTOL); |
117 |
> |
addHash( "zconsForcePolicy", G_ZCONSFORCEPOLICY); |
118 |
> |
addHash( "seed", G_SEED); |
119 |
> |
addHash( "useInitialTime", G_USEINITTIME); |
120 |
> |
addHash( "useInitialExtendedSystemState", G_USEINIT_XS_STATE); |
121 |
> |
addHash( "orthoBoxTolerance", G_ORTHOBOXTOLERANCE); |
122 |
> |
addHash( "LJrcut", G_LJRCUT); |
123 |
> |
addHash( "minimizer", G_MINIMIZER); |
124 |
> |
addHash( "minMaxIter", G_MIN_MAXITER); |
125 |
> |
addHash( "minWriteFrq", G_MIN_WRITEFRQ); |
126 |
> |
addHash( "minStepSize", G_MIN_STEPSIZE); |
127 |
> |
addHash( "minFTol", G_MIN_FTOL); |
128 |
> |
addHash( "minGTol", G_MIN_GTOL); |
129 |
> |
addHash( "minLSTol", G_MIN_LSTOL); |
130 |
> |
addHash( "minLSMaxIter", G_MIN_LSMAXITER); |
131 |
> |
addHash( "zconsGap", G_ZCONSGAP); |
132 |
> |
addHash( "zconsFixtime", G_ZCONSFIXTIME); |
133 |
> |
addHash( "zconsUsingSMD", G_ZCONSUSINGSMD); |
134 |
> |
addHash( "useMolecularCutoffs", G_USEMOLECULARCUTOFFS); |
135 |
|
|
136 |
|
strcpy( mixingRule,"standard"); //default mixing rules to standard. |
137 |
|
usePBC = 1; //default periodic boundry conditions to on |
138 |
|
useRF = 0; |
139 |
< |
|
139 |
> |
useMolecularCutoffs = 0; |
140 |
> |
useInitTime = 0; // default to pull init time from the init file |
141 |
> |
useInitXSstate = 0; // default to pull the extended state from the init file |
142 |
> |
orthoBoxTolerance = 1E-6; |
143 |
> |
|
144 |
|
have_force_field = 0; |
145 |
|
have_n_components = 0; |
146 |
|
have_target_temp = 0; |
159 |
|
have_box_z = 0; |
160 |
|
have_sample_time = 0; |
161 |
|
have_status_time = 0; |
162 |
+ |
have_reset_time = 0; |
163 |
|
have_thermal_time = 0; |
164 |
|
have_ecr = 0; |
165 |
|
have_dielectric = 0; |
173 |
|
have_n_zConstraints = 0; |
174 |
|
have_zConstraints = 0; |
175 |
|
have_zcons_tol = 0; |
176 |
< |
|
177 |
< |
|
178 |
< |
strcpy( initial_config, "./fooBar" ); |
176 |
> |
have_zcons_gap = 0; |
177 |
> |
have_zcons_fixtime = 0; |
178 |
> |
have_zcons_using_smd = 0; |
179 |
> |
have_seed = 0; |
180 |
> |
have_ljrcut = 0; |
181 |
> |
have_minimizer = 0; |
182 |
> |
have_minimizer_maxiteration = 0; |
183 |
> |
have_minimizer_writefrq = 0; |
184 |
> |
have_minimizer_stepsize = 0; |
185 |
> |
have_minimizer_ftol = 0; |
186 |
> |
have_minimizer_gtol = 0; |
187 |
> |
have_minimizer_ls_tol = 0; |
188 |
> |
have_minimizer_ls_maxiteration = 0; |
189 |
> |
have_use_molecular_cutoffs = 0; |
190 |
|
|
191 |
|
} |
192 |
|
|
440 |
|
break; |
441 |
|
} |
442 |
|
break; |
443 |
+ |
|
444 |
+ |
case G_ORTHOBOXTOLERANCE: |
445 |
+ |
switch( the_type ){ |
446 |
+ |
|
447 |
+ |
case STRING: |
448 |
+ |
the_event->err_msg = |
449 |
+ |
strdup( "Global error. orthoBoxTolerance is not a double or int.\n" ); |
450 |
+ |
return 0; |
451 |
+ |
break; |
452 |
+ |
|
453 |
+ |
case DOUBLE: |
454 |
+ |
orthoBoxTolerance = the_event->evt.asmt.rhs.dval; |
455 |
+ |
have_target_temp = 1; |
456 |
+ |
return 1; |
457 |
+ |
break; |
458 |
+ |
|
459 |
+ |
case INT: |
460 |
+ |
orthoBoxTolerance = (double)the_event->evt.asmt.rhs.ival; |
461 |
+ |
have_target_temp = 1; |
462 |
+ |
return 1; |
463 |
+ |
break; |
464 |
+ |
|
465 |
+ |
default: |
466 |
+ |
the_event->err_msg = |
467 |
+ |
strdup( "Global error.orthoBoxTolerance unrecognized.\n" ); |
468 |
+ |
return 0; |
469 |
+ |
break; |
470 |
+ |
} |
471 |
+ |
break; |
472 |
|
|
473 |
|
case G_ENSEMBLE: |
474 |
|
if( the_type == STRING ){ |
802 |
|
default: |
803 |
|
the_event->err_msg = |
804 |
|
strdup( "Global error. statusTime unrecognized.\n" ); |
805 |
+ |
return 0; |
806 |
+ |
break; |
807 |
+ |
} |
808 |
+ |
break; |
809 |
+ |
|
810 |
+ |
case G_RESETTIME: |
811 |
+ |
switch( the_type ){ |
812 |
+ |
|
813 |
+ |
case STRING: |
814 |
+ |
the_event->err_msg = |
815 |
+ |
strdup( "Global error. resetTime is not a double or int.\n" ); |
816 |
|
return 0; |
817 |
|
break; |
818 |
+ |
|
819 |
+ |
case DOUBLE: |
820 |
+ |
resetTime = the_event->evt.asmt.rhs.dval; |
821 |
+ |
have_reset_time = 1; |
822 |
+ |
return 1; |
823 |
+ |
break; |
824 |
+ |
|
825 |
+ |
case INT: |
826 |
+ |
resetTime = (double)the_event->evt.asmt.rhs.ival; |
827 |
+ |
have_reset_time = 1; |
828 |
+ |
return 1; |
829 |
+ |
break; |
830 |
+ |
|
831 |
+ |
default: |
832 |
+ |
the_event->err_msg = |
833 |
+ |
strdup( "Global error. resetTime unrecognized.\n" ); |
834 |
+ |
return 0; |
835 |
+ |
break; |
836 |
|
} |
837 |
|
break; |
838 |
|
|
864 |
|
break; |
865 |
|
} |
866 |
|
break; |
867 |
+ |
|
868 |
+ |
case G_LJRCUT: |
869 |
+ |
switch( the_type ){ |
870 |
+ |
|
871 |
+ |
case STRING: |
872 |
+ |
the_event->err_msg = |
873 |
+ |
strdup( "Global error. LJrcut is not a double or int.\n" ); |
874 |
+ |
return 0; |
875 |
+ |
break; |
876 |
+ |
|
877 |
+ |
case DOUBLE: |
878 |
+ |
LJrcut = the_event->evt.asmt.rhs.dval; |
879 |
+ |
have_ljrcut = 1; |
880 |
+ |
return 1; |
881 |
+ |
break; |
882 |
+ |
|
883 |
+ |
case INT: |
884 |
+ |
LJrcut = (double)the_event->evt.asmt.rhs.ival; |
885 |
+ |
have_ljrcut = 1; |
886 |
+ |
return 1; |
887 |
+ |
break; |
888 |
+ |
|
889 |
+ |
default: |
890 |
+ |
the_event->err_msg = |
891 |
+ |
strdup( "Global error. LJrcut unrecognized.\n" ); |
892 |
+ |
return 0; |
893 |
+ |
break; |
894 |
+ |
} |
895 |
+ |
break; |
896 |
|
|
897 |
|
case G_ECR: |
898 |
|
switch( the_type ){ |
999 |
|
strdup( "Global error. tempSet was not \"true\" or \"false\".\n" ); |
1000 |
|
return 0; |
1001 |
|
break; |
1002 |
+ |
|
1003 |
+ |
case G_USEINITTIME: |
1004 |
+ |
if( the_type == STRING ){ |
1005 |
+ |
|
1006 |
+ |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) useInitTime = 1; |
1007 |
+ |
else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) useInitTime = 0; |
1008 |
+ |
else{ |
1009 |
+ |
the_event->err_msg = |
1010 |
+ |
strdup( "Global error. useInitTime was not \"true\" or \"false\".\n" ); |
1011 |
+ |
return 0; |
1012 |
+ |
} |
1013 |
+ |
return 1; |
1014 |
+ |
} |
1015 |
|
|
1016 |
+ |
the_event->err_msg = |
1017 |
+ |
strdup( "Global error. useInitTime was not \"true\" or \"false\".\n" ); |
1018 |
+ |
return 0; |
1019 |
+ |
break; |
1020 |
+ |
|
1021 |
+ |
case G_USEINIT_XS_STATE: |
1022 |
+ |
if( the_type == STRING ){ |
1023 |
+ |
|
1024 |
+ |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) |
1025 |
+ |
useInitXSstate = 1; |
1026 |
+ |
else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) |
1027 |
+ |
useInitXSstate = 0; |
1028 |
+ |
else{ |
1029 |
+ |
the_event->err_msg = |
1030 |
+ |
strdup( "Global error. useInitExtendedSystemState was not \"true\" or \"false\".\n" ); |
1031 |
+ |
return 0; |
1032 |
+ |
} |
1033 |
+ |
return 1; |
1034 |
+ |
} |
1035 |
+ |
|
1036 |
+ |
the_event->err_msg = |
1037 |
+ |
strdup( "Global error. useInitExtendedSystemState was not \"true\" or \"false\".\n" ); |
1038 |
+ |
return 0; |
1039 |
+ |
break; |
1040 |
+ |
|
1041 |
|
case G_USEPBC: |
1042 |
|
if( the_type == STRING ){ |
1043 |
|
|
1074 |
|
return 0; |
1075 |
|
break; |
1076 |
|
|
1077 |
+ |
case G_USEMOLECULARCUTOFFS: |
1078 |
+ |
if( the_type == STRING ){ |
1079 |
+ |
|
1080 |
+ |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) useMolecularCutoffs = 1; |
1081 |
+ |
else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) useMolecularCutoffs = 0; |
1082 |
+ |
else{ |
1083 |
+ |
the_event->err_msg = |
1084 |
+ |
strdup( "Global error. useMolecularCutoffs was not \"true\" or \"false\".\n" ); |
1085 |
+ |
return 0; |
1086 |
+ |
} |
1087 |
+ |
return 1; |
1088 |
+ |
} |
1089 |
+ |
|
1090 |
+ |
the_event->err_msg = |
1091 |
+ |
strdup( "Global error. useMolecularCutoffs was not \"true\" or \"false\".\n" ); |
1092 |
+ |
return 0; |
1093 |
+ |
break; |
1094 |
+ |
|
1095 |
|
case G_TARGETPRESSURE: |
1096 |
|
switch( the_type ){ |
1097 |
|
|
1237 |
|
} |
1238 |
|
break; |
1239 |
|
|
1240 |
+ |
case G_ZCONSFORCEPOLICY: |
1241 |
+ |
switch( the_type ){ |
1242 |
+ |
|
1243 |
+ |
case STRING: |
1244 |
+ |
strcpy(zconsForcePolicy, the_event->evt.asmt.rhs.sval); |
1245 |
|
|
1246 |
+ |
for(int i = 0; zconsForcePolicy[i] != '\0'; i++) |
1247 |
+ |
{ |
1248 |
+ |
zconsForcePolicy[i] = toupper(zconsForcePolicy[i]); |
1249 |
+ |
} |
1250 |
+ |
have_zcons_force_policy = 1; |
1251 |
+ |
return 1; |
1252 |
+ |
break; |
1253 |
+ |
|
1254 |
+ |
case DOUBLE: |
1255 |
+ |
the_event->err_msg = |
1256 |
+ |
strdup( "Global error. zconsForcePolicy is not a double or int.\n" ); |
1257 |
+ |
return 0; |
1258 |
+ |
break; |
1259 |
+ |
|
1260 |
+ |
case INT: |
1261 |
+ |
the_event->err_msg = |
1262 |
+ |
strdup( "Global error. zconsForcePolicy is not a double or int.\n" ); |
1263 |
+ |
return 0; |
1264 |
+ |
break; |
1265 |
+ |
|
1266 |
+ |
default: |
1267 |
+ |
the_event->err_msg = |
1268 |
+ |
strdup( "Global error. zconsForcePolicy unrecognized.\n" ); |
1269 |
+ |
return 0; |
1270 |
+ |
break; |
1271 |
+ |
} |
1272 |
+ |
break; |
1273 |
+ |
|
1274 |
+ |
case G_ZCONSGAP: |
1275 |
+ |
switch( the_type ){ |
1276 |
+ |
|
1277 |
+ |
case STRING: |
1278 |
+ |
the_event->err_msg = |
1279 |
+ |
strdup( "Global error. zcons_gap is not a double or int.\n" ); |
1280 |
+ |
return 0; |
1281 |
+ |
break; |
1282 |
+ |
|
1283 |
+ |
case DOUBLE: |
1284 |
+ |
zcons_gap = the_event->evt.asmt.rhs.dval; |
1285 |
+ |
have_zcons_gap= 1; |
1286 |
+ |
return 1; |
1287 |
+ |
break; |
1288 |
+ |
|
1289 |
+ |
case INT: |
1290 |
+ |
zcons_gap= (double)the_event->evt.asmt.rhs.ival; |
1291 |
+ |
have_zcons_gap= 1; |
1292 |
+ |
return 1; |
1293 |
+ |
break; |
1294 |
+ |
|
1295 |
+ |
default: |
1296 |
+ |
the_event->err_msg = |
1297 |
+ |
strdup( "Global error. zcons_gap unrecognized.\n" ); |
1298 |
+ |
return 0; |
1299 |
+ |
break; |
1300 |
+ |
} |
1301 |
+ |
break; |
1302 |
+ |
|
1303 |
+ |
case G_ZCONSFIXTIME: |
1304 |
+ |
switch( the_type ){ |
1305 |
+ |
|
1306 |
+ |
case STRING: |
1307 |
+ |
the_event->err_msg = |
1308 |
+ |
strdup( "Global error. zcons_fixtime is not a double or int.\n" ); |
1309 |
+ |
return 0; |
1310 |
+ |
break; |
1311 |
+ |
|
1312 |
+ |
case DOUBLE: |
1313 |
+ |
zcons_fixtime= the_event->evt.asmt.rhs.dval; |
1314 |
+ |
have_zcons_fixtime= 1; |
1315 |
+ |
return 1; |
1316 |
+ |
break; |
1317 |
+ |
|
1318 |
+ |
case INT: |
1319 |
+ |
zcons_fixtime= (double)the_event->evt.asmt.rhs.ival; |
1320 |
+ |
have_zcons_fixtime= 1; |
1321 |
+ |
return 1; |
1322 |
+ |
break; |
1323 |
+ |
|
1324 |
+ |
default: |
1325 |
+ |
the_event->err_msg = |
1326 |
+ |
strdup( "Global error. zcons_fixtime unrecognized.\n" ); |
1327 |
+ |
return 0; |
1328 |
+ |
break; |
1329 |
+ |
} |
1330 |
+ |
break; |
1331 |
+ |
|
1332 |
+ |
case G_ZCONSUSINGSMD: |
1333 |
+ |
switch( the_type ){ |
1334 |
+ |
|
1335 |
+ |
case STRING: |
1336 |
+ |
the_event->err_msg = |
1337 |
+ |
strdup( "Global error. zcons_fixtime is not an int.\n" ); |
1338 |
+ |
return 0; |
1339 |
+ |
break; |
1340 |
+ |
|
1341 |
+ |
case DOUBLE: |
1342 |
+ |
the_event->err_msg = |
1343 |
+ |
strdup( "Global error. zcons_fixtime is not an int.\n" ); |
1344 |
+ |
return 0; |
1345 |
+ |
break; |
1346 |
+ |
|
1347 |
+ |
case INT: |
1348 |
+ |
zcons_using_smd= the_event->evt.asmt.rhs.ival; |
1349 |
+ |
have_zcons_using_smd= 1; |
1350 |
+ |
return 1; |
1351 |
+ |
break; |
1352 |
+ |
|
1353 |
+ |
default: |
1354 |
+ |
the_event->err_msg = |
1355 |
+ |
strdup( "Global error. zcons_usingsmd unrecognized.\n" ); |
1356 |
+ |
return 0; |
1357 |
+ |
break; |
1358 |
+ |
} |
1359 |
+ |
break; |
1360 |
+ |
|
1361 |
+ |
case G_MINIMIZER: |
1362 |
+ |
switch( the_type ){ |
1363 |
+ |
|
1364 |
+ |
case STRING: |
1365 |
+ |
strcpy(minimizer_name, the_event->evt.asmt.rhs.sval); |
1366 |
+ |
|
1367 |
+ |
for(int i = 0; zconsForcePolicy[i] != '\0'; i++){ |
1368 |
+ |
zconsForcePolicy[i] = toupper(zconsForcePolicy[i]); |
1369 |
+ |
} |
1370 |
+ |
have_minimizer= 1; |
1371 |
+ |
return 1; |
1372 |
+ |
break; |
1373 |
+ |
|
1374 |
+ |
case DOUBLE: |
1375 |
+ |
the_event->err_msg = |
1376 |
+ |
strdup( "Global error. minimizer_name is not a double or int.\n" ); |
1377 |
+ |
return 0; |
1378 |
+ |
break; |
1379 |
+ |
|
1380 |
+ |
case INT: |
1381 |
+ |
the_event->err_msg = |
1382 |
+ |
strdup( "Global error. minimizer_name is not a double or int.\n" ); |
1383 |
+ |
return 0; |
1384 |
+ |
break; |
1385 |
+ |
|
1386 |
+ |
default: |
1387 |
+ |
the_event->err_msg = |
1388 |
+ |
strdup( "Global error. minimizer_name unrecognized.\n" ); |
1389 |
+ |
return 0; |
1390 |
+ |
break; |
1391 |
+ |
} |
1392 |
+ |
break; |
1393 |
+ |
|
1394 |
+ |
case G_MIN_MAXITER: |
1395 |
+ |
switch( the_type ){ |
1396 |
+ |
|
1397 |
+ |
case STRING: |
1398 |
+ |
the_event->err_msg = |
1399 |
+ |
strdup( "Global error. minimizer_maxiteration is not a double or int.\n" ); |
1400 |
+ |
return 1; |
1401 |
+ |
break; |
1402 |
+ |
|
1403 |
+ |
case DOUBLE: |
1404 |
+ |
minimizer_maxiteration = the_event->evt.asmt.rhs.dval; |
1405 |
+ |
have_minimizer_maxiteration = 1; |
1406 |
+ |
return 1; |
1407 |
+ |
break; |
1408 |
+ |
|
1409 |
+ |
case INT: |
1410 |
+ |
minimizer_maxiteration = the_event->evt.asmt.rhs.ival; |
1411 |
+ |
have_minimizer_maxiteration = 1; |
1412 |
+ |
return 1; |
1413 |
+ |
break; |
1414 |
+ |
|
1415 |
+ |
default: |
1416 |
+ |
the_event->err_msg = |
1417 |
+ |
strdup( "Global error. minimizer_maxiteration unrecognized.\n" ); |
1418 |
+ |
return 0; |
1419 |
+ |
break; |
1420 |
+ |
} |
1421 |
+ |
break; |
1422 |
+ |
|
1423 |
+ |
case G_MIN_WRITEFRQ: |
1424 |
+ |
switch( the_type ){ |
1425 |
+ |
|
1426 |
+ |
case STRING: |
1427 |
+ |
the_event->err_msg = |
1428 |
+ |
strdup( "Global error. minimizer_writefrq is not a double or int.\n" ); |
1429 |
+ |
return 1; |
1430 |
+ |
break; |
1431 |
+ |
|
1432 |
+ |
case DOUBLE: |
1433 |
+ |
minimizer_writefrq= the_event->evt.asmt.rhs.dval; |
1434 |
+ |
have_minimizer_writefrq = 1; |
1435 |
+ |
return 1; |
1436 |
+ |
break; |
1437 |
+ |
|
1438 |
+ |
case INT: |
1439 |
+ |
minimizer_writefrq= the_event->evt.asmt.rhs.ival; |
1440 |
+ |
have_minimizer_writefrq = 1; |
1441 |
+ |
return 1; |
1442 |
+ |
break; |
1443 |
+ |
|
1444 |
+ |
default: |
1445 |
+ |
the_event->err_msg = |
1446 |
+ |
strdup( "Global error. minimizer_writefrq unrecognized.\n" ); |
1447 |
+ |
return 0; |
1448 |
+ |
break; |
1449 |
+ |
} |
1450 |
+ |
break; |
1451 |
+ |
|
1452 |
+ |
case G_MIN_STEPSIZE: |
1453 |
+ |
switch( the_type ){ |
1454 |
+ |
|
1455 |
+ |
case STRING: |
1456 |
+ |
the_event->err_msg = |
1457 |
+ |
strdup( "Global error. minimizer_resetfrq is not a double or int.\n" ); |
1458 |
+ |
return 1; |
1459 |
+ |
break; |
1460 |
+ |
|
1461 |
+ |
case DOUBLE: |
1462 |
+ |
minimizer_stepsize= the_event->evt.asmt.rhs.dval; |
1463 |
+ |
have_minimizer_stepsize = 1; |
1464 |
+ |
return 1; |
1465 |
+ |
break; |
1466 |
+ |
|
1467 |
+ |
case INT: |
1468 |
+ |
minimizer_stepsize= the_event->evt.asmt.rhs.ival; |
1469 |
+ |
have_minimizer_stepsize = 1; |
1470 |
+ |
return 1; |
1471 |
+ |
break; |
1472 |
+ |
|
1473 |
+ |
default: |
1474 |
+ |
the_event->err_msg = |
1475 |
+ |
strdup( "Global error. minimizer_resetfrq unrecognized.\n" ); |
1476 |
+ |
return 0; |
1477 |
+ |
break; |
1478 |
+ |
} |
1479 |
+ |
break; |
1480 |
+ |
|
1481 |
+ |
case G_MIN_FTOL: |
1482 |
+ |
switch( the_type ){ |
1483 |
+ |
|
1484 |
+ |
case STRING: |
1485 |
+ |
the_event->err_msg = |
1486 |
+ |
strdup( "Global error. minimizer_ftol is not a double or int.\n" ); |
1487 |
+ |
return 1; |
1488 |
+ |
break; |
1489 |
+ |
|
1490 |
+ |
case DOUBLE: |
1491 |
+ |
minimizer_ftol= the_event->evt.asmt.rhs.dval; |
1492 |
+ |
have_minimizer_ftol = 1; |
1493 |
+ |
return 1; |
1494 |
+ |
break; |
1495 |
+ |
|
1496 |
+ |
case INT: |
1497 |
+ |
minimizer_ftol= the_event->evt.asmt.rhs.ival; |
1498 |
+ |
have_minimizer_ftol = 1; |
1499 |
+ |
return 1; |
1500 |
+ |
break; |
1501 |
+ |
|
1502 |
+ |
default: |
1503 |
+ |
the_event->err_msg = |
1504 |
+ |
strdup( "Global error. minimizer_ftol unrecognized.\n" ); |
1505 |
+ |
return 0; |
1506 |
+ |
break; |
1507 |
+ |
} |
1508 |
+ |
break; |
1509 |
+ |
|
1510 |
+ |
case G_MIN_GTOL: |
1511 |
+ |
switch( the_type ){ |
1512 |
+ |
|
1513 |
+ |
case STRING: |
1514 |
+ |
the_event->err_msg = |
1515 |
+ |
strdup( "Global error. minimizer_gtol is not a double or int.\n" ); |
1516 |
+ |
return 1; |
1517 |
+ |
break; |
1518 |
+ |
|
1519 |
+ |
case DOUBLE: |
1520 |
+ |
minimizer_gtol= the_event->evt.asmt.rhs.dval; |
1521 |
+ |
have_minimizer_gtol = 1; |
1522 |
+ |
return 1; |
1523 |
+ |
break; |
1524 |
+ |
|
1525 |
+ |
case INT: |
1526 |
+ |
minimizer_gtol= the_event->evt.asmt.rhs.ival; |
1527 |
+ |
have_minimizer_gtol = 1; |
1528 |
+ |
return 1; |
1529 |
+ |
break; |
1530 |
+ |
|
1531 |
+ |
default: |
1532 |
+ |
the_event->err_msg = |
1533 |
+ |
strdup( "Global error. minimizer_gtol unrecognized.\n" ); |
1534 |
+ |
return 0; |
1535 |
+ |
break; |
1536 |
+ |
} |
1537 |
+ |
break; |
1538 |
+ |
|
1539 |
+ |
case G_MIN_LSMAXITER: |
1540 |
+ |
switch( the_type ){ |
1541 |
+ |
|
1542 |
+ |
case STRING: |
1543 |
+ |
the_event->err_msg = |
1544 |
+ |
strdup( "Global error. minimizer_ls_maxiteration is not a double or int.\n" ); |
1545 |
+ |
return 1; |
1546 |
+ |
break; |
1547 |
+ |
|
1548 |
+ |
case DOUBLE: |
1549 |
+ |
minimizer_ls_maxiteration = the_event->evt.asmt.rhs.dval; |
1550 |
+ |
have_minimizer_ls_maxiteration = 1; |
1551 |
+ |
return 1; |
1552 |
+ |
break; |
1553 |
+ |
|
1554 |
+ |
case INT: |
1555 |
+ |
minimizer_ls_maxiteration = the_event->evt.asmt.rhs.ival; |
1556 |
+ |
have_minimizer_ls_maxiteration = 1; |
1557 |
+ |
return 1; |
1558 |
+ |
break; |
1559 |
+ |
|
1560 |
+ |
default: |
1561 |
+ |
the_event->err_msg = |
1562 |
+ |
strdup( "Global error. minimizer_ls_maxiteration unrecognized.\n" ); |
1563 |
+ |
return 0; |
1564 |
+ |
break; |
1565 |
+ |
} |
1566 |
+ |
break; |
1567 |
+ |
|
1568 |
+ |
case G_MIN_LSTOL: |
1569 |
+ |
switch( the_type ){ |
1570 |
+ |
|
1571 |
+ |
case STRING: |
1572 |
+ |
the_event->err_msg = |
1573 |
+ |
strdup( "Global error. minimizer_ls_tol is not a double or int.\n" ); |
1574 |
+ |
return 1; |
1575 |
+ |
break; |
1576 |
+ |
|
1577 |
+ |
case DOUBLE: |
1578 |
+ |
minimizer_ls_tol= the_event->evt.asmt.rhs.dval; |
1579 |
+ |
have_minimizer_ls_tol = 1; |
1580 |
+ |
return 1; |
1581 |
+ |
break; |
1582 |
+ |
|
1583 |
+ |
case INT: |
1584 |
+ |
minimizer_ls_tol= the_event->evt.asmt.rhs.ival; |
1585 |
+ |
have_minimizer_ls_tol = 1; |
1586 |
+ |
return 1; |
1587 |
+ |
break; |
1588 |
+ |
|
1589 |
+ |
default: |
1590 |
+ |
the_event->err_msg = |
1591 |
+ |
strdup( "Global error. minimizer_ls_tol unrecognized.\n" ); |
1592 |
+ |
return 0; |
1593 |
+ |
break; |
1594 |
+ |
} |
1595 |
+ |
break; |
1596 |
+ |
|
1597 |
|
// add more token cases here. |
1598 |
+ |
case G_SEED: |
1599 |
+ |
switch( the_type ){ |
1600 |
+ |
|
1601 |
+ |
case STRING: |
1602 |
+ |
the_event->err_msg = |
1603 |
+ |
strdup( "Global error. seed is not a string.\n" ); |
1604 |
+ |
return 0; |
1605 |
+ |
return 0; |
1606 |
+ |
break; |
1607 |
+ |
|
1608 |
+ |
case DOUBLE: |
1609 |
+ |
have_seed = 1; |
1610 |
+ |
seed = (int)the_event->evt.asmt.rhs.dval; |
1611 |
+ |
return 1; |
1612 |
+ |
break; |
1613 |
+ |
|
1614 |
+ |
case INT: |
1615 |
+ |
have_seed = 1; |
1616 |
+ |
seed = the_event->evt.asmt.rhs.ival ; |
1617 |
+ |
return 1; |
1618 |
+ |
break; |
1619 |
+ |
|
1620 |
+ |
default: |
1621 |
+ |
the_event->err_msg = |
1622 |
+ |
strdup( "Global error. seed unrecognized.\n" ); |
1623 |
+ |
return 0; |
1624 |
+ |
break; |
1625 |
+ |
} |
1626 |
+ |
break; |
1627 |
+ |
// add more token cases here. |
1628 |
|
|
1629 |
|
} |
1630 |
|
} |
1686 |
|
have_err= 1; |
1687 |
|
} |
1688 |
|
|
1689 |
< |
if( !have_ensemble ){ |
1690 |
< |
strcat( err, "\t->ensemble\n" ); |
1691 |
< |
have_err= 1; |
1692 |
< |
} |
1689 |
> |
if(!have_minimizer) |
1690 |
> |
if( !have_ensemble ){ |
1691 |
> |
strcat( err, "\t->ensemble\n" ); |
1692 |
> |
have_err= 1; |
1693 |
> |
} |
1694 |
|
|
1695 |
|
if( !have_dt ){ |
1696 |
|
strcat( err, "\t->dt\n" ); |