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 |
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 |
|
|
50 |
– |
|
70 |
|
Globals::Globals(){ |
71 |
|
|
72 |
|
int i; |
73 |
+ |
|
74 |
+ |
hash_size = 23; |
75 |
+ |
hash_shift = 4; |
76 |
|
|
77 |
|
components = NULL; |
78 |
|
|
96 |
|
addHash( "boxY", G_BOXY ); |
97 |
|
addHash( "boxZ", G_BOXZ ); |
98 |
|
addHash( "sampleTime", G_SAMPLETIME ); |
99 |
+ |
addHash( "resetTime", G_RESETTIME ); |
100 |
|
addHash( "statusTime", G_STATUSTIME ); |
101 |
|
addHash( "electrostaticCutoffRadius", G_ECR ); |
102 |
|
addHash( "dielectric", G_DIELECTRIC ); |
109 |
|
addHash( "targetPressure", G_TARGETPRESSURE); |
110 |
|
addHash( "tauThermostat", G_TAUTHERMOSTAT); |
111 |
|
addHash( "tauBarostat", G_TAUBAROSTAT); |
112 |
< |
|
113 |
< |
// define some default values |
112 |
> |
addHash( "zconsTime", G_ZCONSTIME); |
113 |
> |
addHash( "nZconstraints", G_NZCONSTRAINTS); |
114 |
> |
addHash( "zconsTol", G_ZCONSTOL); |
115 |
> |
addHash( "zconsForcePolicy", G_ZCONSFORCEPOLICY); |
116 |
> |
addHash( "seed", G_SEED); |
117 |
> |
addHash( "useInitialTime", G_USEINITTIME); |
118 |
> |
addHash( "useInitialExtendedSystemState", G_USEINIT_XS_STATE); |
119 |
> |
addHash( "orthoBoxTolerance", G_ORTHOBOXTOLERANCE); |
120 |
> |
addHash( "LJrcut", G_LJRCUT); |
121 |
> |
addHash( "minimizer", G_MINIMIZER); |
122 |
> |
addHash( "minMaxIter", G_MIN_MAXITER); |
123 |
> |
addHash( "minWriteFrq", G_MIN_WRITEFRQ); |
124 |
> |
addHash( "minStepSize", G_MIN_STEPSIZE); |
125 |
> |
addHash( "minFTol", G_MIN_FTOL); |
126 |
> |
addHash( "minGTol", G_MIN_GTOL); |
127 |
> |
addHash( "minLSTol", G_MIN_LSTOL); |
128 |
> |
addHash( "minLSMaxIter", G_MIN_LSMAXITER); |
129 |
> |
addHash( "zconsGap", G_ZCONSGAP); |
130 |
> |
addHash( "zconsFixtime", G_ZCONSFIXTIME); |
131 |
|
|
132 |
|
strcpy( mixingRule,"standard"); //default mixing rules to standard. |
133 |
|
usePBC = 1; //default periodic boundry conditions to on |
134 |
|
useRF = 0; |
135 |
< |
|
135 |
> |
useInitTime = 1; // default to pull init time from the init file |
136 |
> |
useInitXSstate = 1; // default to pull the extended state from the init file |
137 |
> |
orthoBoxTolerance = 1E-6; |
138 |
> |
|
139 |
|
have_force_field = 0; |
140 |
|
have_n_components = 0; |
141 |
|
have_target_temp = 0; |
154 |
|
have_box_z = 0; |
155 |
|
have_sample_time = 0; |
156 |
|
have_status_time = 0; |
157 |
+ |
have_reset_time = 0; |
158 |
|
have_thermal_time = 0; |
159 |
|
have_ecr = 0; |
160 |
|
have_dielectric = 0; |
163 |
|
have_target_pressure =0; |
164 |
|
have_q_mass = 0; |
165 |
|
have_tau_thermostat = 0; |
166 |
< |
have_tau_barostat = 0; |
167 |
< |
} |
166 |
> |
have_tau_barostat = 0; |
167 |
> |
have_zcons_time = 0; |
168 |
> |
have_n_zConstraints = 0; |
169 |
> |
have_zConstraints = 0; |
170 |
> |
have_zcons_tol = 0; |
171 |
> |
have_seed = 0; |
172 |
> |
have_ljrcut = 0; |
173 |
|
|
174 |
+ |
} |
175 |
+ |
|
176 |
|
Globals::~Globals(){ |
177 |
|
int i; |
178 |
|
|
245 |
|
return 0; |
246 |
|
} |
247 |
|
|
248 |
< |
int Globals::componentStartIndex( event* the_event ){ |
248 |
> |
int Globals::componentEnd( event* the_event ){ |
249 |
|
|
250 |
< |
current_component->startIndex( the_event->evt.si.array, |
251 |
< |
the_event->evt.si.n_elements ); |
250 |
> |
the_event->err_msg = current_component->checkMe(); |
251 |
> |
if( the_event->err_msg != NULL ) return 0; |
252 |
> |
|
253 |
|
return 1; |
254 |
|
} |
255 |
|
|
256 |
< |
int Globals::componentEnd( event* the_event ){ |
256 |
> |
int Globals::newZconstraint( event* the_event ){ |
257 |
> |
|
258 |
|
|
259 |
< |
the_event->err_msg = current_component->checkMe(); |
259 |
> |
int index = the_event->evt.blk_index; |
260 |
> |
char err[200]; |
261 |
> |
current_zConstraint = new ZconStamp( index ); |
262 |
> |
|
263 |
> |
have_zConstraints = 1; |
264 |
> |
|
265 |
> |
if( have_n_zConstraints && index < n_zConstraints ) |
266 |
> |
zConstraints[index] = current_zConstraint; |
267 |
> |
else{ |
268 |
> |
if( have_n_zConstraints ){ |
269 |
> |
sprintf( err, "Globals error, %d out of nZconstraints range", |
270 |
> |
index ); |
271 |
> |
the_event->err_msg = strdup( err ); |
272 |
> |
return 0; |
273 |
> |
} |
274 |
> |
else{ |
275 |
> |
the_event->err_msg = strdup("Globals error, nZconstraints" |
276 |
> |
" not given before" |
277 |
> |
" first zConstraint declaration." ); |
278 |
> |
return 0; |
279 |
> |
} |
280 |
> |
} |
281 |
> |
|
282 |
> |
return 1; |
283 |
> |
} |
284 |
> |
|
285 |
> |
|
286 |
> |
|
287 |
> |
int Globals::zConstraintAssign( event* the_event ){ |
288 |
> |
|
289 |
> |
switch( the_event->evt.asmt.asmt_type ){ |
290 |
> |
|
291 |
> |
case STRING: |
292 |
> |
return current_zConstraint->assignString( the_event->evt.asmt.lhs, |
293 |
> |
the_event->evt.asmt.rhs.sval, |
294 |
> |
&(the_event->err_msg)); |
295 |
> |
break; |
296 |
> |
|
297 |
> |
case DOUBLE: |
298 |
> |
return current_zConstraint->assignDouble( the_event->evt.asmt.lhs, |
299 |
> |
the_event->evt.asmt.rhs.dval, |
300 |
> |
&(the_event->err_msg)); |
301 |
> |
break; |
302 |
> |
|
303 |
> |
case INT: |
304 |
> |
return current_zConstraint->assignInt( the_event->evt.asmt.lhs, |
305 |
> |
the_event->evt.asmt.rhs.ival, |
306 |
> |
&(the_event->err_msg)); |
307 |
> |
break; |
308 |
> |
|
309 |
> |
default: |
310 |
> |
the_event->err_msg = strdup( "Globals error. Invalid zConstraint" |
311 |
> |
" assignment type" ); |
312 |
> |
return 0; |
313 |
> |
break; |
314 |
> |
} |
315 |
> |
return 0; |
316 |
> |
} |
317 |
> |
|
318 |
> |
int Globals::zConstraintEnd( event* the_event ){ |
319 |
> |
|
320 |
> |
the_event->err_msg = current_zConstraint->checkMe(); |
321 |
|
if( the_event->err_msg != NULL ) return 0; |
322 |
|
|
323 |
|
return 1; |
372 |
|
return 1; |
373 |
|
} |
374 |
|
break; |
375 |
+ |
|
376 |
+ |
case G_NZCONSTRAINTS: |
377 |
+ |
if( the_type == STRING ){ |
378 |
+ |
the_event->err_msg = |
379 |
+ |
strdup("Global error. nZconstraints is not a double or an int.\n" ); |
380 |
+ |
return 0; |
381 |
+ |
} |
382 |
|
|
383 |
+ |
else if( the_type == DOUBLE ){ |
384 |
+ |
n_zConstraints = (int)the_event->evt.asmt.rhs.dval; |
385 |
+ |
zConstraints = new ZconStamp*[n_zConstraints]; |
386 |
+ |
have_n_zConstraints = 1; |
387 |
+ |
return 1; |
388 |
+ |
} |
389 |
+ |
|
390 |
+ |
else{ |
391 |
+ |
n_zConstraints = the_event->evt.asmt.rhs.ival; |
392 |
+ |
zConstraints = new ZconStamp*[n_zConstraints]; |
393 |
+ |
have_n_zConstraints = 1; |
394 |
+ |
return 1; |
395 |
+ |
} |
396 |
+ |
break; |
397 |
+ |
|
398 |
|
case G_TARGETTEMP: |
399 |
|
switch( the_type ){ |
400 |
|
|
419 |
|
default: |
420 |
|
the_event->err_msg = |
421 |
|
strdup( "Global error. targetTemp unrecognized.\n" ); |
422 |
+ |
return 0; |
423 |
+ |
break; |
424 |
+ |
} |
425 |
+ |
break; |
426 |
+ |
|
427 |
+ |
case G_ORTHOBOXTOLERANCE: |
428 |
+ |
switch( the_type ){ |
429 |
+ |
|
430 |
+ |
case STRING: |
431 |
+ |
the_event->err_msg = |
432 |
+ |
strdup( "Global error. orthoBoxTolerance is not a double or int.\n" ); |
433 |
+ |
return 0; |
434 |
+ |
break; |
435 |
+ |
|
436 |
+ |
case DOUBLE: |
437 |
+ |
orthoBoxTolerance = the_event->evt.asmt.rhs.dval; |
438 |
+ |
have_target_temp = 1; |
439 |
+ |
return 1; |
440 |
+ |
break; |
441 |
+ |
|
442 |
+ |
case INT: |
443 |
+ |
orthoBoxTolerance = (double)the_event->evt.asmt.rhs.ival; |
444 |
+ |
have_target_temp = 1; |
445 |
+ |
return 1; |
446 |
+ |
break; |
447 |
+ |
|
448 |
+ |
default: |
449 |
+ |
the_event->err_msg = |
450 |
+ |
strdup( "Global error.orthoBoxTolerance unrecognized.\n" ); |
451 |
|
return 0; |
452 |
|
break; |
453 |
|
} |
790 |
|
} |
791 |
|
break; |
792 |
|
|
793 |
< |
case G_THERMALTIME: |
793 |
> |
case G_RESETTIME: |
794 |
|
switch( the_type ){ |
795 |
|
|
796 |
|
case STRING: |
797 |
|
the_event->err_msg = |
798 |
+ |
strdup( "Global error. resetTime is not a double or int.\n" ); |
799 |
+ |
return 0; |
800 |
+ |
break; |
801 |
+ |
|
802 |
+ |
case DOUBLE: |
803 |
+ |
resetTime = the_event->evt.asmt.rhs.dval; |
804 |
+ |
have_reset_time = 1; |
805 |
+ |
return 1; |
806 |
+ |
break; |
807 |
+ |
|
808 |
+ |
case INT: |
809 |
+ |
resetTime = (double)the_event->evt.asmt.rhs.ival; |
810 |
+ |
have_reset_time = 1; |
811 |
+ |
return 1; |
812 |
+ |
break; |
813 |
+ |
|
814 |
+ |
default: |
815 |
+ |
the_event->err_msg = |
816 |
+ |
strdup( "Global error. resetTime unrecognized.\n" ); |
817 |
+ |
return 0; |
818 |
+ |
break; |
819 |
+ |
} |
820 |
+ |
break; |
821 |
+ |
|
822 |
+ |
case G_THERMALTIME: |
823 |
+ |
switch( the_type ){ |
824 |
+ |
|
825 |
+ |
case STRING: |
826 |
+ |
the_event->err_msg = |
827 |
|
strdup( "Global error. thermalTime is not a double or int.\n" ); |
828 |
|
return 0; |
829 |
|
break; |
843 |
|
default: |
844 |
|
the_event->err_msg = |
845 |
|
strdup( "Global error. thermalTime unrecognized.\n" ); |
846 |
+ |
return 0; |
847 |
+ |
break; |
848 |
+ |
} |
849 |
+ |
break; |
850 |
+ |
|
851 |
+ |
case G_LJRCUT: |
852 |
+ |
switch( the_type ){ |
853 |
+ |
|
854 |
+ |
case STRING: |
855 |
+ |
the_event->err_msg = |
856 |
+ |
strdup( "Global error. LJrcut is not a double or int.\n" ); |
857 |
+ |
return 0; |
858 |
+ |
break; |
859 |
+ |
|
860 |
+ |
case DOUBLE: |
861 |
+ |
LJrcut = the_event->evt.asmt.rhs.dval; |
862 |
+ |
have_ljrcut = 1; |
863 |
+ |
return 1; |
864 |
+ |
break; |
865 |
+ |
|
866 |
+ |
case INT: |
867 |
+ |
LJrcut = (double)the_event->evt.asmt.rhs.ival; |
868 |
+ |
have_ljrcut = 1; |
869 |
+ |
return 1; |
870 |
+ |
break; |
871 |
+ |
|
872 |
+ |
default: |
873 |
+ |
the_event->err_msg = |
874 |
+ |
strdup( "Global error. LJrcut unrecognized.\n" ); |
875 |
|
return 0; |
876 |
|
break; |
877 |
|
} |
982 |
|
strdup( "Global error. tempSet was not \"true\" or \"false\".\n" ); |
983 |
|
return 0; |
984 |
|
break; |
985 |
+ |
|
986 |
+ |
case G_USEINITTIME: |
987 |
+ |
if( the_type == STRING ){ |
988 |
+ |
|
989 |
+ |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) useInitTime = 1; |
990 |
+ |
else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) useInitTime = 0; |
991 |
+ |
else{ |
992 |
+ |
the_event->err_msg = |
993 |
+ |
strdup( "Global error. useInitTime was not \"true\" or \"false\".\n" ); |
994 |
+ |
return 0; |
995 |
+ |
} |
996 |
+ |
return 1; |
997 |
+ |
} |
998 |
|
|
999 |
+ |
the_event->err_msg = |
1000 |
+ |
strdup( "Global error. useInitTime was not \"true\" or \"false\".\n" ); |
1001 |
+ |
return 0; |
1002 |
+ |
break; |
1003 |
+ |
|
1004 |
+ |
case G_USEINIT_XS_STATE: |
1005 |
+ |
if( the_type == STRING ){ |
1006 |
+ |
|
1007 |
+ |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) |
1008 |
+ |
useInitXSstate = 1; |
1009 |
+ |
else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) |
1010 |
+ |
useInitXSstate = 0; |
1011 |
+ |
else{ |
1012 |
+ |
the_event->err_msg = |
1013 |
+ |
strdup( "Global error. useInitExtendedSystemState was not \"true\" or \"false\".\n" ); |
1014 |
+ |
return 0; |
1015 |
+ |
} |
1016 |
+ |
return 1; |
1017 |
+ |
} |
1018 |
+ |
|
1019 |
+ |
the_event->err_msg = |
1020 |
+ |
strdup( "Global error. useInitExtendedSystemState was not \"true\" or \"false\".\n" ); |
1021 |
+ |
return 0; |
1022 |
+ |
break; |
1023 |
+ |
|
1024 |
|
case G_USEPBC: |
1025 |
|
if( the_type == STRING ){ |
1026 |
|
|
1139 |
|
default: |
1140 |
|
the_event->err_msg = |
1141 |
|
strdup( "Global error. tauBarostat unrecognized.\n" ); |
1142 |
+ |
return 0; |
1143 |
+ |
break; |
1144 |
+ |
} |
1145 |
+ |
break; |
1146 |
+ |
|
1147 |
+ |
case G_ZCONSTIME: |
1148 |
+ |
switch( the_type ){ |
1149 |
+ |
|
1150 |
+ |
case STRING: |
1151 |
+ |
the_event->err_msg = |
1152 |
+ |
strdup( "Global error. zcons_time is not a double or int.\n" ); |
1153 |
+ |
return 0; |
1154 |
+ |
break; |
1155 |
+ |
|
1156 |
+ |
case DOUBLE: |
1157 |
+ |
zcons_time = the_event->evt.asmt.rhs.dval; |
1158 |
+ |
have_zcons_time = 1; |
1159 |
+ |
return 1; |
1160 |
+ |
break; |
1161 |
+ |
|
1162 |
+ |
case INT: |
1163 |
+ |
zcons_time = (double)the_event->evt.asmt.rhs.ival; |
1164 |
+ |
have_zcons_time = 1; |
1165 |
+ |
return 1; |
1166 |
+ |
break; |
1167 |
+ |
|
1168 |
+ |
default: |
1169 |
+ |
the_event->err_msg = |
1170 |
+ |
strdup( "Global error. zcons_time unrecognized.\n" ); |
1171 |
+ |
return 0; |
1172 |
+ |
break; |
1173 |
+ |
} |
1174 |
+ |
break; |
1175 |
+ |
|
1176 |
+ |
case G_ZCONSTOL: |
1177 |
+ |
switch( the_type ){ |
1178 |
+ |
|
1179 |
+ |
case STRING: |
1180 |
+ |
the_event->err_msg = |
1181 |
+ |
strdup( "Global error. zcons_tol is not a double or int.\n" ); |
1182 |
+ |
return 0; |
1183 |
+ |
break; |
1184 |
+ |
|
1185 |
+ |
case DOUBLE: |
1186 |
+ |
zcons_tol = the_event->evt.asmt.rhs.dval; |
1187 |
+ |
have_zcons_tol = 1; |
1188 |
+ |
return 1; |
1189 |
+ |
break; |
1190 |
+ |
|
1191 |
+ |
case INT: |
1192 |
+ |
zcons_tol = (double)the_event->evt.asmt.rhs.ival; |
1193 |
+ |
have_zcons_tol = 1; |
1194 |
+ |
return 1; |
1195 |
+ |
break; |
1196 |
+ |
|
1197 |
+ |
default: |
1198 |
+ |
the_event->err_msg = |
1199 |
+ |
strdup( "Global error. zcons_ol unrecognized.\n" ); |
1200 |
|
return 0; |
1201 |
|
break; |
1202 |
+ |
} |
1203 |
+ |
break; |
1204 |
+ |
|
1205 |
+ |
case G_ZCONSFORCEPOLICY: |
1206 |
+ |
switch( the_type ){ |
1207 |
+ |
|
1208 |
+ |
case STRING: |
1209 |
+ |
strcpy(zconsForcePolicy, the_event->evt.asmt.rhs.sval); |
1210 |
+ |
|
1211 |
+ |
for(int i = 0; zconsForcePolicy[i] != '\0'; i++) |
1212 |
+ |
{ |
1213 |
+ |
zconsForcePolicy[i] = toupper(zconsForcePolicy[i]); |
1214 |
+ |
} |
1215 |
+ |
have_zcons_force_policy = 1; |
1216 |
+ |
return 1; |
1217 |
+ |
break; |
1218 |
+ |
|
1219 |
+ |
case DOUBLE: |
1220 |
+ |
the_event->err_msg = |
1221 |
+ |
strdup( "Global error. zconsForcePolicy is not a double or int.\n" ); |
1222 |
+ |
return 0; |
1223 |
+ |
break; |
1224 |
+ |
|
1225 |
+ |
case INT: |
1226 |
+ |
the_event->err_msg = |
1227 |
+ |
strdup( "Global error. zconsForcePolicy is not a double or int.\n" ); |
1228 |
+ |
return 0; |
1229 |
+ |
break; |
1230 |
+ |
|
1231 |
+ |
default: |
1232 |
+ |
the_event->err_msg = |
1233 |
+ |
strdup( "Global error. zconsForcePolicy unrecognized.\n" ); |
1234 |
+ |
return 0; |
1235 |
+ |
break; |
1236 |
+ |
} |
1237 |
+ |
break; |
1238 |
+ |
|
1239 |
+ |
case G_ZCONSGAP: |
1240 |
+ |
switch( the_type ){ |
1241 |
+ |
|
1242 |
+ |
case STRING: |
1243 |
+ |
the_event->err_msg = |
1244 |
+ |
strdup( "Global error. zcons_gap is not a double or int.\n" ); |
1245 |
+ |
return 0; |
1246 |
+ |
break; |
1247 |
+ |
|
1248 |
+ |
case DOUBLE: |
1249 |
+ |
zcons_gap = the_event->evt.asmt.rhs.dval; |
1250 |
+ |
have_zcons_gap= 1; |
1251 |
+ |
return 1; |
1252 |
+ |
break; |
1253 |
+ |
|
1254 |
+ |
case INT: |
1255 |
+ |
zcons_gap= (double)the_event->evt.asmt.rhs.ival; |
1256 |
+ |
have_zcons_gap= 1; |
1257 |
+ |
return 1; |
1258 |
+ |
break; |
1259 |
+ |
|
1260 |
+ |
default: |
1261 |
+ |
the_event->err_msg = |
1262 |
+ |
strdup( "Global error. zcons_gap unrecognized.\n" ); |
1263 |
+ |
return 0; |
1264 |
+ |
break; |
1265 |
+ |
} |
1266 |
+ |
break; |
1267 |
+ |
|
1268 |
+ |
case G_ZCONSFIXTIME: |
1269 |
+ |
switch( the_type ){ |
1270 |
+ |
|
1271 |
+ |
case STRING: |
1272 |
+ |
the_event->err_msg = |
1273 |
+ |
strdup( "Global error. zcons_fixtime is not a double or int.\n" ); |
1274 |
+ |
return 0; |
1275 |
+ |
break; |
1276 |
+ |
|
1277 |
+ |
case DOUBLE: |
1278 |
+ |
zcons_fixtime= the_event->evt.asmt.rhs.dval; |
1279 |
+ |
have_zcons_fixtime= 1; |
1280 |
+ |
return 1; |
1281 |
+ |
break; |
1282 |
+ |
|
1283 |
+ |
case INT: |
1284 |
+ |
zcons_fixtime= (double)the_event->evt.asmt.rhs.ival; |
1285 |
+ |
have_zcons_fixtime= 1; |
1286 |
+ |
return 1; |
1287 |
+ |
break; |
1288 |
+ |
|
1289 |
+ |
default: |
1290 |
+ |
the_event->err_msg = |
1291 |
+ |
strdup( "Global error. zcons_fixtime unrecognized.\n" ); |
1292 |
+ |
return 0; |
1293 |
+ |
break; |
1294 |
+ |
} |
1295 |
+ |
break; |
1296 |
+ |
|
1297 |
+ |
case G_MINIMIZER: |
1298 |
+ |
switch( the_type ){ |
1299 |
+ |
|
1300 |
+ |
case STRING: |
1301 |
+ |
strcpy(minimizer_name, the_event->evt.asmt.rhs.sval); |
1302 |
+ |
|
1303 |
+ |
for(int i = 0; zconsForcePolicy[i] != '\0'; i++){ |
1304 |
+ |
zconsForcePolicy[i] = toupper(zconsForcePolicy[i]); |
1305 |
+ |
} |
1306 |
+ |
have_minimizer= 1; |
1307 |
+ |
return 1; |
1308 |
+ |
break; |
1309 |
+ |
|
1310 |
+ |
case DOUBLE: |
1311 |
+ |
the_event->err_msg = |
1312 |
+ |
strdup( "Global error. minimizer_name is not a double or int.\n" ); |
1313 |
+ |
return 0; |
1314 |
+ |
break; |
1315 |
+ |
|
1316 |
+ |
case INT: |
1317 |
+ |
the_event->err_msg = |
1318 |
+ |
strdup( "Global error. minimizer_name is not a double or int.\n" ); |
1319 |
+ |
return 0; |
1320 |
+ |
break; |
1321 |
+ |
|
1322 |
+ |
default: |
1323 |
+ |
the_event->err_msg = |
1324 |
+ |
strdup( "Global error. minimizer_name unrecognized.\n" ); |
1325 |
+ |
return 0; |
1326 |
+ |
break; |
1327 |
+ |
} |
1328 |
+ |
break; |
1329 |
+ |
|
1330 |
+ |
case G_MIN_MAXITER: |
1331 |
+ |
switch( the_type ){ |
1332 |
+ |
|
1333 |
+ |
case STRING: |
1334 |
+ |
the_event->err_msg = |
1335 |
+ |
strdup( "Global error. minimizer_maxiteration is not a double or int.\n" ); |
1336 |
+ |
return 1; |
1337 |
+ |
break; |
1338 |
+ |
|
1339 |
+ |
case DOUBLE: |
1340 |
+ |
minimizer_maxiteration = the_event->evt.asmt.rhs.dval; |
1341 |
+ |
have_minimizer_maxiteration = 1; |
1342 |
+ |
return 1; |
1343 |
+ |
break; |
1344 |
+ |
|
1345 |
+ |
case INT: |
1346 |
+ |
minimizer_maxiteration = the_event->evt.asmt.rhs.ival; |
1347 |
+ |
have_minimizer_maxiteration = 1; |
1348 |
+ |
return 1; |
1349 |
+ |
break; |
1350 |
+ |
|
1351 |
+ |
default: |
1352 |
+ |
the_event->err_msg = |
1353 |
+ |
strdup( "Global error. minimizer_maxiteration unrecognized.\n" ); |
1354 |
+ |
return 0; |
1355 |
+ |
break; |
1356 |
+ |
} |
1357 |
+ |
break; |
1358 |
+ |
|
1359 |
+ |
case G_MIN_WRITEFRQ: |
1360 |
+ |
switch( the_type ){ |
1361 |
+ |
|
1362 |
+ |
case STRING: |
1363 |
+ |
the_event->err_msg = |
1364 |
+ |
strdup( "Global error. minimizer_writefrq is not a double or int.\n" ); |
1365 |
+ |
return 1; |
1366 |
+ |
break; |
1367 |
+ |
|
1368 |
+ |
case DOUBLE: |
1369 |
+ |
minimizer_writefrq= the_event->evt.asmt.rhs.dval; |
1370 |
+ |
have_minimizer_writefrq = 1; |
1371 |
+ |
return 1; |
1372 |
+ |
break; |
1373 |
+ |
|
1374 |
+ |
case INT: |
1375 |
+ |
minimizer_writefrq= the_event->evt.asmt.rhs.ival; |
1376 |
+ |
have_minimizer_writefrq = 1; |
1377 |
+ |
return 1; |
1378 |
+ |
break; |
1379 |
+ |
|
1380 |
+ |
default: |
1381 |
+ |
the_event->err_msg = |
1382 |
+ |
strdup( "Global error. minimizer_writefrq unrecognized.\n" ); |
1383 |
+ |
return 0; |
1384 |
+ |
break; |
1385 |
|
} |
1386 |
|
break; |
1387 |
|
|
1388 |
+ |
case G_MIN_STEPSIZE: |
1389 |
+ |
switch( the_type ){ |
1390 |
|
|
1391 |
+ |
case STRING: |
1392 |
+ |
the_event->err_msg = |
1393 |
+ |
strdup( "Global error. minimizer_resetfrq is not a double or int.\n" ); |
1394 |
+ |
return 1; |
1395 |
+ |
break; |
1396 |
+ |
|
1397 |
+ |
case DOUBLE: |
1398 |
+ |
minimizer_stepsize= the_event->evt.asmt.rhs.dval; |
1399 |
+ |
have_minimizer_stepsize = 1; |
1400 |
+ |
return 1; |
1401 |
+ |
break; |
1402 |
+ |
|
1403 |
+ |
case INT: |
1404 |
+ |
minimizer_stepsize= the_event->evt.asmt.rhs.ival; |
1405 |
+ |
have_minimizer_stepsize = 1; |
1406 |
+ |
return 1; |
1407 |
+ |
break; |
1408 |
+ |
|
1409 |
+ |
default: |
1410 |
+ |
the_event->err_msg = |
1411 |
+ |
strdup( "Global error. minimizer_resetfrq unrecognized.\n" ); |
1412 |
+ |
return 0; |
1413 |
+ |
break; |
1414 |
+ |
} |
1415 |
+ |
break; |
1416 |
+ |
|
1417 |
+ |
case G_MIN_FTOL: |
1418 |
+ |
switch( the_type ){ |
1419 |
+ |
|
1420 |
+ |
case STRING: |
1421 |
+ |
the_event->err_msg = |
1422 |
+ |
strdup( "Global error. minimizer_ftol is not a double or int.\n" ); |
1423 |
+ |
return 1; |
1424 |
+ |
break; |
1425 |
+ |
|
1426 |
+ |
case DOUBLE: |
1427 |
+ |
minimizer_ftol= the_event->evt.asmt.rhs.dval; |
1428 |
+ |
have_minimizer_ftol = 1; |
1429 |
+ |
return 1; |
1430 |
+ |
break; |
1431 |
+ |
|
1432 |
+ |
case INT: |
1433 |
+ |
minimizer_ftol= the_event->evt.asmt.rhs.ival; |
1434 |
+ |
have_minimizer_ftol = 1; |
1435 |
+ |
return 1; |
1436 |
+ |
break; |
1437 |
+ |
|
1438 |
+ |
default: |
1439 |
+ |
the_event->err_msg = |
1440 |
+ |
strdup( "Global error. minimizer_ftol unrecognized.\n" ); |
1441 |
+ |
return 0; |
1442 |
+ |
break; |
1443 |
+ |
} |
1444 |
+ |
break; |
1445 |
+ |
|
1446 |
+ |
case G_MIN_GTOL: |
1447 |
+ |
switch( the_type ){ |
1448 |
+ |
|
1449 |
+ |
case STRING: |
1450 |
+ |
the_event->err_msg = |
1451 |
+ |
strdup( "Global error. minimizer_gtol is not a double or int.\n" ); |
1452 |
+ |
return 1; |
1453 |
+ |
break; |
1454 |
+ |
|
1455 |
+ |
case DOUBLE: |
1456 |
+ |
minimizer_gtol= the_event->evt.asmt.rhs.dval; |
1457 |
+ |
have_minimizer_gtol = 1; |
1458 |
+ |
return 1; |
1459 |
+ |
break; |
1460 |
+ |
|
1461 |
+ |
case INT: |
1462 |
+ |
minimizer_gtol= the_event->evt.asmt.rhs.ival; |
1463 |
+ |
have_minimizer_gtol = 1; |
1464 |
+ |
return 1; |
1465 |
+ |
break; |
1466 |
+ |
|
1467 |
+ |
default: |
1468 |
+ |
the_event->err_msg = |
1469 |
+ |
strdup( "Global error. minimizer_gtol unrecognized.\n" ); |
1470 |
+ |
return 0; |
1471 |
+ |
break; |
1472 |
+ |
} |
1473 |
+ |
break; |
1474 |
+ |
|
1475 |
+ |
case G_MIN_LSMAXITER: |
1476 |
+ |
switch( the_type ){ |
1477 |
+ |
|
1478 |
+ |
case STRING: |
1479 |
+ |
the_event->err_msg = |
1480 |
+ |
strdup( "Global error. minimizer_ls_maxiteration is not a double or int.\n" ); |
1481 |
+ |
return 1; |
1482 |
+ |
break; |
1483 |
+ |
|
1484 |
+ |
case DOUBLE: |
1485 |
+ |
minimizer_ls_maxiteration = the_event->evt.asmt.rhs.dval; |
1486 |
+ |
have_minimizer_ls_maxiteration = 1; |
1487 |
+ |
return 1; |
1488 |
+ |
break; |
1489 |
+ |
|
1490 |
+ |
case INT: |
1491 |
+ |
minimizer_ls_maxiteration = the_event->evt.asmt.rhs.ival; |
1492 |
+ |
have_minimizer_ls_maxiteration = 1; |
1493 |
+ |
return 1; |
1494 |
+ |
break; |
1495 |
+ |
|
1496 |
+ |
default: |
1497 |
+ |
the_event->err_msg = |
1498 |
+ |
strdup( "Global error. minimizer_ls_maxiteration unrecognized.\n" ); |
1499 |
+ |
return 0; |
1500 |
+ |
break; |
1501 |
+ |
} |
1502 |
+ |
break; |
1503 |
+ |
|
1504 |
+ |
case G_MIN_LSTOL: |
1505 |
+ |
switch( the_type ){ |
1506 |
+ |
|
1507 |
+ |
case STRING: |
1508 |
+ |
the_event->err_msg = |
1509 |
+ |
strdup( "Global error. minimizer_ls_tol is not a double or int.\n" ); |
1510 |
+ |
return 1; |
1511 |
+ |
break; |
1512 |
+ |
|
1513 |
+ |
case DOUBLE: |
1514 |
+ |
minimizer_ls_tol= the_event->evt.asmt.rhs.dval; |
1515 |
+ |
have_minimizer_ls_tol = 1; |
1516 |
+ |
return 1; |
1517 |
+ |
break; |
1518 |
+ |
|
1519 |
+ |
case INT: |
1520 |
+ |
minimizer_ls_tol= the_event->evt.asmt.rhs.ival; |
1521 |
+ |
have_minimizer_ls_tol = 1; |
1522 |
+ |
return 1; |
1523 |
+ |
break; |
1524 |
+ |
|
1525 |
+ |
default: |
1526 |
+ |
the_event->err_msg = |
1527 |
+ |
strdup( "Global error. minimizer_ls_tol unrecognized.\n" ); |
1528 |
+ |
return 0; |
1529 |
+ |
break; |
1530 |
+ |
} |
1531 |
+ |
break; |
1532 |
+ |
|
1533 |
|
// add more token cases here. |
1534 |
+ |
case G_SEED: |
1535 |
+ |
switch( the_type ){ |
1536 |
+ |
|
1537 |
+ |
case STRING: |
1538 |
+ |
the_event->err_msg = |
1539 |
+ |
strdup( "Global error. seed is not a string.\n" ); |
1540 |
+ |
return 0; |
1541 |
+ |
return 0; |
1542 |
+ |
break; |
1543 |
+ |
|
1544 |
+ |
case DOUBLE: |
1545 |
+ |
have_seed = 1; |
1546 |
+ |
seed = (int)the_event->evt.asmt.rhs.dval; |
1547 |
+ |
return 1; |
1548 |
+ |
break; |
1549 |
+ |
|
1550 |
+ |
case INT: |
1551 |
+ |
have_seed = 1; |
1552 |
+ |
seed = the_event->evt.asmt.rhs.ival ; |
1553 |
+ |
return 1; |
1554 |
+ |
break; |
1555 |
+ |
|
1556 |
+ |
default: |
1557 |
+ |
the_event->err_msg = |
1558 |
+ |
strdup( "Global error. seed unrecognized.\n" ); |
1559 |
+ |
return 0; |
1560 |
+ |
break; |
1561 |
+ |
} |
1562 |
+ |
break; |
1563 |
+ |
// add more token cases here. |
1564 |
|
|
1565 |
|
} |
1566 |
|
} |
1621 |
|
strcat( err, "\t->targetTemp\n" ); |
1622 |
|
have_err= 1; |
1623 |
|
} |
1624 |
+ |
|
1625 |
|
|
1626 |
< |
if( !have_ensemble ){ |
1627 |
< |
strcat( err, "\t->ensemble\n" ); |
1628 |
< |
have_err= 1; |
1629 |
< |
} |
1626 |
> |
if(!have_minimizer) |
1627 |
> |
if( !have_ensemble ){ |
1628 |
> |
strcat( err, "\t->ensemble\n" ); |
1629 |
> |
have_err= 1; |
1630 |
> |
} |
1631 |
|
|
1632 |
|
if( !have_dt ){ |
1633 |
|
strcat( err, "\t->dt\n" ); |