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_RRF 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 |
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 |
|
|
45 |
– |
|
71 |
|
Globals::Globals(){ |
72 |
|
|
73 |
|
int i; |
74 |
+ |
|
75 |
+ |
hash_size = 23; |
76 |
+ |
hash_shift = 4; |
77 |
|
|
78 |
|
components = NULL; |
79 |
|
|
97 |
|
addHash( "boxY", G_BOXY ); |
98 |
|
addHash( "boxZ", G_BOXZ ); |
99 |
|
addHash( "sampleTime", G_SAMPLETIME ); |
100 |
+ |
addHash( "resetTime", G_RESETTIME ); |
101 |
|
addHash( "statusTime", G_STATUSTIME ); |
102 |
< |
addHash( "rRF", G_RRF ); |
102 |
> |
addHash( "electrostaticCutoffRadius", G_ECR ); |
103 |
|
addHash( "dielectric", G_DIELECTRIC ); |
104 |
|
addHash( "tempSet", G_TEMPSET ); |
105 |
|
addHash( "thermalTime", G_THERMALTIME ); |
106 |
|
addHash( "mixingRule", G_MIXINGRULE); |
107 |
< |
addHash( "periodicBox", G_USEPBC); |
108 |
< |
|
109 |
< |
// define some default values |
107 |
> |
addHash( "usePeriodicBoundaryConditions", G_USEPBC); |
108 |
> |
addHash( "electrostaticSkinThickness", G_EST ); |
109 |
> |
addHash( "useReactionField", G_USERF ); |
110 |
> |
addHash( "targetPressure", G_TARGETPRESSURE); |
111 |
> |
addHash( "tauThermostat", G_TAUTHERMOSTAT); |
112 |
> |
addHash( "tauBarostat", G_TAUBAROSTAT); |
113 |
> |
addHash( "zconsTime", G_ZCONSTIME); |
114 |
> |
addHash( "nZconstraints", G_NZCONSTRAINTS); |
115 |
> |
addHash( "zconsTol", G_ZCONSTOL); |
116 |
> |
addHash( "zconsForcePolicy", G_ZCONSFORCEPOLICY); |
117 |
> |
addHash( "seed", G_SEED); |
118 |
> |
addHash( "useInitialTime", G_USEINITTIME); |
119 |
> |
addHash( "useInitialExtendedSystemState", G_USEINIT_XS_STATE); |
120 |
> |
addHash( "orthoBoxTolerance", G_ORTHOBOXTOLERANCE); |
121 |
> |
addHash( "LJrcut", G_LJRCUT); |
122 |
> |
addHash( "minimizer", G_MINIMIZER); |
123 |
> |
addHash( "minMaxIter", G_MIN_MAXITER); |
124 |
> |
addHash( "minWriteFrq", G_MIN_WRITEFRQ); |
125 |
> |
addHash( "minStepSize", G_MIN_STEPSIZE); |
126 |
> |
addHash( "minFTol", G_MIN_FTOL); |
127 |
> |
addHash( "minGTol", G_MIN_GTOL); |
128 |
> |
addHash( "minLSTol", G_MIN_LSTOL); |
129 |
> |
addHash( "minLSMaxIter", G_MIN_LSMAXITER); |
130 |
> |
addHash( "zconsGap", G_ZCONSGAP); |
131 |
> |
addHash( "zconsFixtime", G_ZCONSFIXTIME); |
132 |
> |
addHash( "zconsUsingSMD", G_ZCONSUSINGSMD); |
133 |
|
|
134 |
|
strcpy( mixingRule,"standard"); //default mixing rules to standard. |
135 |
|
usePBC = 1; //default periodic boundry conditions to on |
136 |
< |
|
136 |
> |
useRF = 0; |
137 |
> |
useInitTime = 1; // default to pull init time from the init file |
138 |
> |
useInitXSstate = 1; // default to pull the extended state from the init file |
139 |
> |
orthoBoxTolerance = 1E-6; |
140 |
|
|
141 |
|
have_force_field = 0; |
142 |
|
have_n_components = 0; |
156 |
|
have_box_z = 0; |
157 |
|
have_sample_time = 0; |
158 |
|
have_status_time = 0; |
159 |
+ |
have_reset_time = 0; |
160 |
|
have_thermal_time = 0; |
161 |
< |
have_rrf = 0; |
161 |
> |
have_ecr = 0; |
162 |
|
have_dielectric = 0; |
163 |
|
have_tempSet = 0; |
164 |
< |
} |
164 |
> |
have_est = 0; |
165 |
> |
have_target_pressure =0; |
166 |
> |
have_q_mass = 0; |
167 |
> |
have_tau_thermostat = 0; |
168 |
> |
have_tau_barostat = 0; |
169 |
> |
have_zcons_time = 0; |
170 |
> |
have_n_zConstraints = 0; |
171 |
> |
have_zConstraints = 0; |
172 |
> |
have_zcons_tol = 0; |
173 |
> |
have_zcons_gap = 0; |
174 |
> |
have_zcons_fixtime = 0; |
175 |
> |
have_zcons_using_smd = 0; |
176 |
> |
have_seed = 0; |
177 |
> |
have_ljrcut = 0; |
178 |
|
|
179 |
+ |
} |
180 |
+ |
|
181 |
|
Globals::~Globals(){ |
182 |
|
int i; |
183 |
|
|
250 |
|
return 0; |
251 |
|
} |
252 |
|
|
253 |
< |
int Globals::componentStartIndex( event* the_event ){ |
253 |
> |
int Globals::componentEnd( event* the_event ){ |
254 |
|
|
255 |
< |
current_component->startIndex( the_event->evt.si.array, |
256 |
< |
the_event->evt.si.n_elements ); |
255 |
> |
the_event->err_msg = current_component->checkMe(); |
256 |
> |
if( the_event->err_msg != NULL ) return 0; |
257 |
> |
|
258 |
|
return 1; |
259 |
|
} |
260 |
|
|
261 |
< |
int Globals::componentEnd( event* the_event ){ |
261 |
> |
int Globals::newZconstraint( event* the_event ){ |
262 |
> |
|
263 |
|
|
264 |
< |
the_event->err_msg = current_component->checkMe(); |
264 |
> |
int index = the_event->evt.blk_index; |
265 |
> |
char err[200]; |
266 |
> |
current_zConstraint = new ZconStamp( index ); |
267 |
> |
|
268 |
> |
have_zConstraints = 1; |
269 |
> |
|
270 |
> |
if( have_n_zConstraints && index < n_zConstraints ) |
271 |
> |
zConstraints[index] = current_zConstraint; |
272 |
> |
else{ |
273 |
> |
if( have_n_zConstraints ){ |
274 |
> |
sprintf( err, "Globals error, %d out of nZconstraints range", |
275 |
> |
index ); |
276 |
> |
the_event->err_msg = strdup( err ); |
277 |
> |
return 0; |
278 |
> |
} |
279 |
> |
else{ |
280 |
> |
the_event->err_msg = strdup("Globals error, nZconstraints" |
281 |
> |
" not given before" |
282 |
> |
" first zConstraint declaration." ); |
283 |
> |
return 0; |
284 |
> |
} |
285 |
> |
} |
286 |
> |
|
287 |
> |
return 1; |
288 |
> |
} |
289 |
> |
|
290 |
> |
|
291 |
> |
|
292 |
> |
int Globals::zConstraintAssign( event* the_event ){ |
293 |
> |
|
294 |
> |
switch( the_event->evt.asmt.asmt_type ){ |
295 |
> |
|
296 |
> |
case STRING: |
297 |
> |
return current_zConstraint->assignString( the_event->evt.asmt.lhs, |
298 |
> |
the_event->evt.asmt.rhs.sval, |
299 |
> |
&(the_event->err_msg)); |
300 |
> |
break; |
301 |
> |
|
302 |
> |
case DOUBLE: |
303 |
> |
return current_zConstraint->assignDouble( the_event->evt.asmt.lhs, |
304 |
> |
the_event->evt.asmt.rhs.dval, |
305 |
> |
&(the_event->err_msg)); |
306 |
> |
break; |
307 |
> |
|
308 |
> |
case INT: |
309 |
> |
return current_zConstraint->assignInt( the_event->evt.asmt.lhs, |
310 |
> |
the_event->evt.asmt.rhs.ival, |
311 |
> |
&(the_event->err_msg)); |
312 |
> |
break; |
313 |
> |
|
314 |
> |
default: |
315 |
> |
the_event->err_msg = strdup( "Globals error. Invalid zConstraint" |
316 |
> |
" assignment type" ); |
317 |
> |
return 0; |
318 |
> |
break; |
319 |
> |
} |
320 |
> |
return 0; |
321 |
> |
} |
322 |
> |
|
323 |
> |
int Globals::zConstraintEnd( event* the_event ){ |
324 |
> |
|
325 |
> |
the_event->err_msg = current_zConstraint->checkMe(); |
326 |
|
if( the_event->err_msg != NULL ) return 0; |
327 |
|
|
328 |
|
return 1; |
377 |
|
return 1; |
378 |
|
} |
379 |
|
break; |
380 |
+ |
|
381 |
+ |
case G_NZCONSTRAINTS: |
382 |
+ |
if( the_type == STRING ){ |
383 |
+ |
the_event->err_msg = |
384 |
+ |
strdup("Global error. nZconstraints is not a double or an int.\n" ); |
385 |
+ |
return 0; |
386 |
+ |
} |
387 |
|
|
388 |
+ |
else if( the_type == DOUBLE ){ |
389 |
+ |
n_zConstraints = (int)the_event->evt.asmt.rhs.dval; |
390 |
+ |
zConstraints = new ZconStamp*[n_zConstraints]; |
391 |
+ |
have_n_zConstraints = 1; |
392 |
+ |
return 1; |
393 |
+ |
} |
394 |
+ |
|
395 |
+ |
else{ |
396 |
+ |
n_zConstraints = the_event->evt.asmt.rhs.ival; |
397 |
+ |
zConstraints = new ZconStamp*[n_zConstraints]; |
398 |
+ |
have_n_zConstraints = 1; |
399 |
+ |
return 1; |
400 |
+ |
} |
401 |
+ |
break; |
402 |
+ |
|
403 |
|
case G_TARGETTEMP: |
404 |
|
switch( the_type ){ |
405 |
|
|
424 |
|
default: |
425 |
|
the_event->err_msg = |
426 |
|
strdup( "Global error. targetTemp unrecognized.\n" ); |
427 |
+ |
return 0; |
428 |
+ |
break; |
429 |
+ |
} |
430 |
+ |
break; |
431 |
+ |
|
432 |
+ |
case G_ORTHOBOXTOLERANCE: |
433 |
+ |
switch( the_type ){ |
434 |
+ |
|
435 |
+ |
case STRING: |
436 |
+ |
the_event->err_msg = |
437 |
+ |
strdup( "Global error. orthoBoxTolerance is not a double or int.\n" ); |
438 |
+ |
return 0; |
439 |
+ |
break; |
440 |
+ |
|
441 |
+ |
case DOUBLE: |
442 |
+ |
orthoBoxTolerance = the_event->evt.asmt.rhs.dval; |
443 |
+ |
have_target_temp = 1; |
444 |
+ |
return 1; |
445 |
+ |
break; |
446 |
+ |
|
447 |
+ |
case INT: |
448 |
+ |
orthoBoxTolerance = (double)the_event->evt.asmt.rhs.ival; |
449 |
+ |
have_target_temp = 1; |
450 |
+ |
return 1; |
451 |
+ |
break; |
452 |
+ |
|
453 |
+ |
default: |
454 |
+ |
the_event->err_msg = |
455 |
+ |
strdup( "Global error.orthoBoxTolerance unrecognized.\n" ); |
456 |
|
return 0; |
457 |
|
break; |
458 |
|
} |
795 |
|
} |
796 |
|
break; |
797 |
|
|
798 |
< |
case G_THERMALTIME: |
798 |
> |
case G_RESETTIME: |
799 |
> |
switch( the_type ){ |
800 |
> |
|
801 |
> |
case STRING: |
802 |
> |
the_event->err_msg = |
803 |
> |
strdup( "Global error. resetTime is not a double or int.\n" ); |
804 |
> |
return 0; |
805 |
> |
break; |
806 |
> |
|
807 |
> |
case DOUBLE: |
808 |
> |
resetTime = the_event->evt.asmt.rhs.dval; |
809 |
> |
have_reset_time = 1; |
810 |
> |
return 1; |
811 |
> |
break; |
812 |
> |
|
813 |
> |
case INT: |
814 |
> |
resetTime = (double)the_event->evt.asmt.rhs.ival; |
815 |
> |
have_reset_time = 1; |
816 |
> |
return 1; |
817 |
> |
break; |
818 |
> |
|
819 |
> |
default: |
820 |
> |
the_event->err_msg = |
821 |
> |
strdup( "Global error. resetTime unrecognized.\n" ); |
822 |
> |
return 0; |
823 |
> |
break; |
824 |
> |
} |
825 |
> |
break; |
826 |
> |
|
827 |
> |
case G_THERMALTIME: |
828 |
|
switch( the_type ){ |
829 |
|
|
830 |
|
case STRING: |
852 |
|
break; |
853 |
|
} |
854 |
|
break; |
855 |
+ |
|
856 |
+ |
case G_LJRCUT: |
857 |
+ |
switch( the_type ){ |
858 |
+ |
|
859 |
+ |
case STRING: |
860 |
+ |
the_event->err_msg = |
861 |
+ |
strdup( "Global error. LJrcut is not a double or int.\n" ); |
862 |
+ |
return 0; |
863 |
+ |
break; |
864 |
+ |
|
865 |
+ |
case DOUBLE: |
866 |
+ |
LJrcut = the_event->evt.asmt.rhs.dval; |
867 |
+ |
have_ljrcut = 1; |
868 |
+ |
return 1; |
869 |
+ |
break; |
870 |
+ |
|
871 |
+ |
case INT: |
872 |
+ |
LJrcut = (double)the_event->evt.asmt.rhs.ival; |
873 |
+ |
have_ljrcut = 1; |
874 |
+ |
return 1; |
875 |
+ |
break; |
876 |
+ |
|
877 |
+ |
default: |
878 |
+ |
the_event->err_msg = |
879 |
+ |
strdup( "Global error. LJrcut unrecognized.\n" ); |
880 |
+ |
return 0; |
881 |
+ |
break; |
882 |
+ |
} |
883 |
+ |
break; |
884 |
|
|
885 |
< |
case G_RRF: |
885 |
> |
case G_ECR: |
886 |
|
switch( the_type ){ |
887 |
|
|
888 |
|
case STRING: |
889 |
|
the_event->err_msg = |
890 |
< |
strdup( "Global error. rRF is not a double or int.\n" ); |
890 |
> |
strdup( "Global error. electrostaticCutoffRadius is not a double or int.\n" ); |
891 |
|
return 0; |
892 |
|
break; |
893 |
|
|
894 |
|
case DOUBLE: |
895 |
< |
rRF = the_event->evt.asmt.rhs.dval; |
896 |
< |
have_rrf = 1; |
895 |
> |
ecr = the_event->evt.asmt.rhs.dval; |
896 |
> |
have_ecr = 1; |
897 |
|
return 1; |
898 |
|
break; |
899 |
|
|
900 |
|
case INT: |
901 |
< |
rRF = (double)the_event->evt.asmt.rhs.ival; |
902 |
< |
have_rrf = 1; |
901 |
> |
ecr = (double)the_event->evt.asmt.rhs.ival; |
902 |
> |
have_ecr = 1; |
903 |
|
return 1; |
904 |
|
break; |
905 |
|
|
906 |
|
default: |
907 |
|
the_event->err_msg = |
908 |
< |
strdup( "Global error. rRF unrecognized.\n" ); |
908 |
> |
strdup( "Global error. electrostaticCutoffRadius unrecognized.\n" ); |
909 |
|
return 0; |
910 |
|
break; |
911 |
|
} |
912 |
|
break; |
913 |
+ |
|
914 |
+ |
case G_EST: |
915 |
+ |
switch( the_type ){ |
916 |
+ |
|
917 |
+ |
case STRING: |
918 |
+ |
the_event->err_msg = |
919 |
+ |
strdup( "Global error. electrostaticSkinThickness is not a double or int.\n" ); |
920 |
+ |
return 0; |
921 |
+ |
break; |
922 |
+ |
|
923 |
+ |
case DOUBLE: |
924 |
+ |
est = the_event->evt.asmt.rhs.dval; |
925 |
+ |
have_est = 1; |
926 |
+ |
return 1; |
927 |
+ |
break; |
928 |
+ |
|
929 |
+ |
case INT: |
930 |
+ |
est = (double)the_event->evt.asmt.rhs.ival; |
931 |
+ |
have_est = 1; |
932 |
+ |
return 1; |
933 |
+ |
break; |
934 |
+ |
|
935 |
+ |
default: |
936 |
+ |
the_event->err_msg = |
937 |
+ |
strdup( "Global error. electrostaticSkinThickness unrecognized.\n" ); |
938 |
+ |
return 0; |
939 |
+ |
break; |
940 |
+ |
} |
941 |
+ |
break; |
942 |
|
|
943 |
|
case G_DIELECTRIC: |
944 |
|
switch( the_type ){ |
972 |
|
case G_TEMPSET: |
973 |
|
if( the_type == STRING ){ |
974 |
|
|
975 |
< |
if( !strcmp( "true", the_event->evt.asmt.rhs.sval )) tempSet = 1; |
976 |
< |
else if( !strcmp( "false", the_event->evt.asmt.rhs.sval )) tempSet = 0; |
975 |
> |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) tempSet = 1; |
976 |
> |
else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) tempSet = 0; |
977 |
|
else{ |
978 |
|
the_event->err_msg = |
979 |
|
strdup( "Global error. tempSet was not \"true\" or \"false\".\n" ); |
987 |
|
strdup( "Global error. tempSet was not \"true\" or \"false\".\n" ); |
988 |
|
return 0; |
989 |
|
break; |
990 |
+ |
|
991 |
+ |
case G_USEINITTIME: |
992 |
+ |
if( the_type == STRING ){ |
993 |
+ |
|
994 |
+ |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) useInitTime = 1; |
995 |
+ |
else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) useInitTime = 0; |
996 |
+ |
else{ |
997 |
+ |
the_event->err_msg = |
998 |
+ |
strdup( "Global error. useInitTime was not \"true\" or \"false\".\n" ); |
999 |
+ |
return 0; |
1000 |
+ |
} |
1001 |
+ |
return 1; |
1002 |
+ |
} |
1003 |
|
|
1004 |
+ |
the_event->err_msg = |
1005 |
+ |
strdup( "Global error. useInitTime was not \"true\" or \"false\".\n" ); |
1006 |
+ |
return 0; |
1007 |
+ |
break; |
1008 |
+ |
|
1009 |
+ |
case G_USEINIT_XS_STATE: |
1010 |
+ |
if( the_type == STRING ){ |
1011 |
+ |
|
1012 |
+ |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) |
1013 |
+ |
useInitXSstate = 1; |
1014 |
+ |
else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) |
1015 |
+ |
useInitXSstate = 0; |
1016 |
+ |
else{ |
1017 |
+ |
the_event->err_msg = |
1018 |
+ |
strdup( "Global error. useInitExtendedSystemState was not \"true\" or \"false\".\n" ); |
1019 |
+ |
return 0; |
1020 |
+ |
} |
1021 |
+ |
return 1; |
1022 |
+ |
} |
1023 |
+ |
|
1024 |
+ |
the_event->err_msg = |
1025 |
+ |
strdup( "Global error. useInitExtendedSystemState was not \"true\" or \"false\".\n" ); |
1026 |
+ |
return 0; |
1027 |
+ |
break; |
1028 |
+ |
|
1029 |
|
case G_USEPBC: |
1030 |
|
if( the_type == STRING ){ |
1031 |
|
|
1032 |
< |
if( !strcmp( "true", the_event->evt.asmt.rhs.sval )) usePBC = 1; |
1033 |
< |
else if( !strcmp( "false", the_event->evt.asmt.rhs.sval )) usePBC = 0; |
1032 |
> |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) usePBC = 1; |
1033 |
> |
else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) usePBC = 0; |
1034 |
|
else{ |
1035 |
|
the_event->err_msg = |
1036 |
< |
strdup( "Global error. periodicBoundryConditions was not \"true\" or \"false\".\n" ); |
1036 |
> |
strdup( "Global error. usePeriodicBoundaryConditions was not \"true\" or \"false\".\n" ); |
1037 |
|
return 0; |
1038 |
|
} |
1039 |
|
return 1; |
1040 |
|
} |
1041 |
|
|
1042 |
|
the_event->err_msg = |
1043 |
< |
strdup( "Global error. tempSet was not \"true\" or \"false\".\n" ); |
1043 |
> |
strdup( "Global error. usePeriodicBoundaryConditions was not \"true\" or \"false\".\n" ); |
1044 |
|
return 0; |
1045 |
|
break; |
1046 |
+ |
|
1047 |
+ |
case G_USERF: |
1048 |
+ |
if( the_type == STRING ){ |
1049 |
+ |
|
1050 |
+ |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) useRF = 1; |
1051 |
+ |
else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) useRF = 0; |
1052 |
+ |
else{ |
1053 |
+ |
the_event->err_msg = |
1054 |
+ |
strdup( "Global error. useReactionField was not \"true\" or \"false\".\n" ); |
1055 |
+ |
return 0; |
1056 |
+ |
} |
1057 |
+ |
return 1; |
1058 |
+ |
} |
1059 |
+ |
|
1060 |
+ |
the_event->err_msg = |
1061 |
+ |
strdup( "Global error. useReactionField was not \"true\" or \"false\".\n" ); |
1062 |
+ |
return 0; |
1063 |
+ |
break; |
1064 |
+ |
|
1065 |
+ |
case G_TARGETPRESSURE: |
1066 |
+ |
switch( the_type ){ |
1067 |
+ |
|
1068 |
+ |
case STRING: |
1069 |
+ |
the_event->err_msg = |
1070 |
+ |
strdup( "Global error. targetPressure is not a double or int.\n" ); |
1071 |
+ |
return 0; |
1072 |
+ |
break; |
1073 |
+ |
|
1074 |
+ |
case DOUBLE: |
1075 |
+ |
target_pressure = the_event->evt.asmt.rhs.dval; |
1076 |
+ |
have_target_pressure = 1; |
1077 |
+ |
return 1; |
1078 |
+ |
break; |
1079 |
+ |
|
1080 |
+ |
case INT: |
1081 |
+ |
target_pressure = (double)the_event->evt.asmt.rhs.ival; |
1082 |
+ |
have_target_pressure = 1; |
1083 |
+ |
return 1; |
1084 |
+ |
break; |
1085 |
+ |
|
1086 |
+ |
default: |
1087 |
+ |
the_event->err_msg = |
1088 |
+ |
strdup( "Global error. targetPressure unrecognized.\n" ); |
1089 |
+ |
return 0; |
1090 |
+ |
break; |
1091 |
+ |
} |
1092 |
+ |
break; |
1093 |
+ |
|
1094 |
+ |
case G_TAUTHERMOSTAT: |
1095 |
+ |
switch( the_type ){ |
1096 |
+ |
|
1097 |
+ |
case STRING: |
1098 |
+ |
the_event->err_msg = |
1099 |
+ |
strdup( "Global error. tauThermostat is not a double or int.\n" ); |
1100 |
+ |
return 0; |
1101 |
+ |
break; |
1102 |
+ |
|
1103 |
+ |
case DOUBLE: |
1104 |
+ |
tau_thermostat = the_event->evt.asmt.rhs.dval; |
1105 |
+ |
have_tau_thermostat = 1; |
1106 |
+ |
return 1; |
1107 |
+ |
break; |
1108 |
+ |
|
1109 |
+ |
case INT: |
1110 |
+ |
tau_thermostat = (double)the_event->evt.asmt.rhs.ival; |
1111 |
+ |
have_tau_thermostat = 1; |
1112 |
+ |
return 1; |
1113 |
+ |
break; |
1114 |
+ |
|
1115 |
+ |
default: |
1116 |
+ |
the_event->err_msg = |
1117 |
+ |
strdup( "Global error. tauThermostat unrecognized.\n" ); |
1118 |
+ |
return 0; |
1119 |
+ |
break; |
1120 |
+ |
} |
1121 |
+ |
break; |
1122 |
+ |
|
1123 |
+ |
case G_TAUBAROSTAT: |
1124 |
+ |
switch( the_type ){ |
1125 |
+ |
|
1126 |
+ |
case STRING: |
1127 |
+ |
the_event->err_msg = |
1128 |
+ |
strdup( "Global error. tauBarostat is not a double or int.\n" ); |
1129 |
+ |
return 0; |
1130 |
+ |
break; |
1131 |
+ |
|
1132 |
+ |
case DOUBLE: |
1133 |
+ |
tau_barostat = the_event->evt.asmt.rhs.dval; |
1134 |
+ |
have_tau_barostat = 1; |
1135 |
+ |
return 1; |
1136 |
+ |
break; |
1137 |
+ |
|
1138 |
+ |
case INT: |
1139 |
+ |
tau_barostat = (double)the_event->evt.asmt.rhs.ival; |
1140 |
+ |
have_tau_barostat = 1; |
1141 |
+ |
return 1; |
1142 |
+ |
break; |
1143 |
+ |
|
1144 |
+ |
default: |
1145 |
+ |
the_event->err_msg = |
1146 |
+ |
strdup( "Global error. tauBarostat unrecognized.\n" ); |
1147 |
+ |
return 0; |
1148 |
+ |
break; |
1149 |
+ |
} |
1150 |
+ |
break; |
1151 |
+ |
|
1152 |
+ |
case G_ZCONSTIME: |
1153 |
+ |
switch( the_type ){ |
1154 |
+ |
|
1155 |
+ |
case STRING: |
1156 |
+ |
the_event->err_msg = |
1157 |
+ |
strdup( "Global error. zcons_time is not a double or int.\n" ); |
1158 |
+ |
return 0; |
1159 |
+ |
break; |
1160 |
+ |
|
1161 |
+ |
case DOUBLE: |
1162 |
+ |
zcons_time = the_event->evt.asmt.rhs.dval; |
1163 |
+ |
have_zcons_time = 1; |
1164 |
+ |
return 1; |
1165 |
+ |
break; |
1166 |
+ |
|
1167 |
+ |
case INT: |
1168 |
+ |
zcons_time = (double)the_event->evt.asmt.rhs.ival; |
1169 |
+ |
have_zcons_time = 1; |
1170 |
+ |
return 1; |
1171 |
+ |
break; |
1172 |
+ |
|
1173 |
+ |
default: |
1174 |
+ |
the_event->err_msg = |
1175 |
+ |
strdup( "Global error. zcons_time unrecognized.\n" ); |
1176 |
+ |
return 0; |
1177 |
+ |
break; |
1178 |
+ |
} |
1179 |
+ |
break; |
1180 |
+ |
|
1181 |
+ |
case G_ZCONSTOL: |
1182 |
+ |
switch( the_type ){ |
1183 |
+ |
|
1184 |
+ |
case STRING: |
1185 |
+ |
the_event->err_msg = |
1186 |
+ |
strdup( "Global error. zcons_tol is not a double or int.\n" ); |
1187 |
+ |
return 0; |
1188 |
+ |
break; |
1189 |
+ |
|
1190 |
+ |
case DOUBLE: |
1191 |
+ |
zcons_tol = the_event->evt.asmt.rhs.dval; |
1192 |
+ |
have_zcons_tol = 1; |
1193 |
+ |
return 1; |
1194 |
+ |
break; |
1195 |
+ |
|
1196 |
+ |
case INT: |
1197 |
+ |
zcons_tol = (double)the_event->evt.asmt.rhs.ival; |
1198 |
+ |
have_zcons_tol = 1; |
1199 |
+ |
return 1; |
1200 |
+ |
break; |
1201 |
+ |
|
1202 |
+ |
default: |
1203 |
+ |
the_event->err_msg = |
1204 |
+ |
strdup( "Global error. zcons_ol unrecognized.\n" ); |
1205 |
+ |
return 0; |
1206 |
+ |
break; |
1207 |
+ |
} |
1208 |
+ |
break; |
1209 |
+ |
|
1210 |
+ |
case G_ZCONSFORCEPOLICY: |
1211 |
+ |
switch( the_type ){ |
1212 |
+ |
|
1213 |
+ |
case STRING: |
1214 |
+ |
strcpy(zconsForcePolicy, the_event->evt.asmt.rhs.sval); |
1215 |
+ |
|
1216 |
+ |
for(int i = 0; zconsForcePolicy[i] != '\0'; i++) |
1217 |
+ |
{ |
1218 |
+ |
zconsForcePolicy[i] = toupper(zconsForcePolicy[i]); |
1219 |
+ |
} |
1220 |
+ |
have_zcons_force_policy = 1; |
1221 |
+ |
return 1; |
1222 |
+ |
break; |
1223 |
+ |
|
1224 |
+ |
case DOUBLE: |
1225 |
+ |
the_event->err_msg = |
1226 |
+ |
strdup( "Global error. zconsForcePolicy is not a double or int.\n" ); |
1227 |
+ |
return 0; |
1228 |
+ |
break; |
1229 |
+ |
|
1230 |
+ |
case INT: |
1231 |
+ |
the_event->err_msg = |
1232 |
+ |
strdup( "Global error. zconsForcePolicy is not a double or int.\n" ); |
1233 |
+ |
return 0; |
1234 |
+ |
break; |
1235 |
+ |
|
1236 |
+ |
default: |
1237 |
+ |
the_event->err_msg = |
1238 |
+ |
strdup( "Global error. zconsForcePolicy unrecognized.\n" ); |
1239 |
+ |
return 0; |
1240 |
+ |
break; |
1241 |
+ |
} |
1242 |
+ |
break; |
1243 |
+ |
|
1244 |
+ |
case G_ZCONSGAP: |
1245 |
+ |
switch( the_type ){ |
1246 |
+ |
|
1247 |
+ |
case STRING: |
1248 |
+ |
the_event->err_msg = |
1249 |
+ |
strdup( "Global error. zcons_gap is not a double or int.\n" ); |
1250 |
+ |
return 0; |
1251 |
+ |
break; |
1252 |
+ |
|
1253 |
+ |
case DOUBLE: |
1254 |
+ |
zcons_gap = the_event->evt.asmt.rhs.dval; |
1255 |
+ |
have_zcons_gap= 1; |
1256 |
+ |
return 1; |
1257 |
+ |
break; |
1258 |
+ |
|
1259 |
+ |
case INT: |
1260 |
+ |
zcons_gap= (double)the_event->evt.asmt.rhs.ival; |
1261 |
+ |
have_zcons_gap= 1; |
1262 |
+ |
return 1; |
1263 |
+ |
break; |
1264 |
+ |
|
1265 |
+ |
default: |
1266 |
+ |
the_event->err_msg = |
1267 |
+ |
strdup( "Global error. zcons_gap unrecognized.\n" ); |
1268 |
+ |
return 0; |
1269 |
+ |
break; |
1270 |
+ |
} |
1271 |
+ |
break; |
1272 |
+ |
|
1273 |
+ |
case G_ZCONSFIXTIME: |
1274 |
+ |
switch( the_type ){ |
1275 |
+ |
|
1276 |
+ |
case STRING: |
1277 |
+ |
the_event->err_msg = |
1278 |
+ |
strdup( "Global error. zcons_fixtime is not a double or int.\n" ); |
1279 |
+ |
return 0; |
1280 |
+ |
break; |
1281 |
+ |
|
1282 |
+ |
case DOUBLE: |
1283 |
+ |
zcons_fixtime= the_event->evt.asmt.rhs.dval; |
1284 |
+ |
have_zcons_fixtime= 1; |
1285 |
+ |
return 1; |
1286 |
+ |
break; |
1287 |
+ |
|
1288 |
+ |
case INT: |
1289 |
+ |
zcons_fixtime= (double)the_event->evt.asmt.rhs.ival; |
1290 |
+ |
have_zcons_fixtime= 1; |
1291 |
+ |
return 1; |
1292 |
+ |
break; |
1293 |
+ |
|
1294 |
+ |
default: |
1295 |
+ |
the_event->err_msg = |
1296 |
+ |
strdup( "Global error. zcons_fixtime unrecognized.\n" ); |
1297 |
+ |
return 0; |
1298 |
+ |
break; |
1299 |
+ |
} |
1300 |
+ |
break; |
1301 |
+ |
|
1302 |
+ |
case G_ZCONSUSINGSMD: |
1303 |
+ |
switch( the_type ){ |
1304 |
+ |
|
1305 |
+ |
case STRING: |
1306 |
+ |
the_event->err_msg = |
1307 |
+ |
strdup( "Global error. zcons_fixtime is not an int.\n" ); |
1308 |
+ |
return 0; |
1309 |
+ |
break; |
1310 |
+ |
|
1311 |
+ |
case DOUBLE: |
1312 |
+ |
the_event->err_msg = |
1313 |
+ |
strdup( "Global error. zcons_fixtime is not an int.\n" ); |
1314 |
+ |
return 0; |
1315 |
+ |
break; |
1316 |
+ |
|
1317 |
+ |
case INT: |
1318 |
+ |
zcons_using_smd= the_event->evt.asmt.rhs.ival; |
1319 |
+ |
have_zcons_using_smd= 1; |
1320 |
+ |
return 1; |
1321 |
+ |
break; |
1322 |
+ |
|
1323 |
+ |
default: |
1324 |
+ |
the_event->err_msg = |
1325 |
+ |
strdup( "Global error. zcons_usingsmd unrecognized.\n" ); |
1326 |
+ |
return 0; |
1327 |
+ |
break; |
1328 |
+ |
} |
1329 |
+ |
break; |
1330 |
+ |
|
1331 |
+ |
case G_MINIMIZER: |
1332 |
+ |
switch( the_type ){ |
1333 |
+ |
|
1334 |
+ |
case STRING: |
1335 |
+ |
strcpy(minimizer_name, the_event->evt.asmt.rhs.sval); |
1336 |
+ |
|
1337 |
+ |
for(int i = 0; zconsForcePolicy[i] != '\0'; i++){ |
1338 |
+ |
zconsForcePolicy[i] = toupper(zconsForcePolicy[i]); |
1339 |
+ |
} |
1340 |
+ |
have_minimizer= 1; |
1341 |
+ |
return 1; |
1342 |
+ |
break; |
1343 |
+ |
|
1344 |
+ |
case DOUBLE: |
1345 |
+ |
the_event->err_msg = |
1346 |
+ |
strdup( "Global error. minimizer_name is not a double or int.\n" ); |
1347 |
+ |
return 0; |
1348 |
+ |
break; |
1349 |
+ |
|
1350 |
+ |
case INT: |
1351 |
+ |
the_event->err_msg = |
1352 |
+ |
strdup( "Global error. minimizer_name is not a double or int.\n" ); |
1353 |
+ |
return 0; |
1354 |
+ |
break; |
1355 |
+ |
|
1356 |
+ |
default: |
1357 |
+ |
the_event->err_msg = |
1358 |
+ |
strdup( "Global error. minimizer_name unrecognized.\n" ); |
1359 |
+ |
return 0; |
1360 |
+ |
break; |
1361 |
+ |
} |
1362 |
+ |
break; |
1363 |
+ |
|
1364 |
+ |
case G_MIN_MAXITER: |
1365 |
+ |
switch( the_type ){ |
1366 |
+ |
|
1367 |
+ |
case STRING: |
1368 |
+ |
the_event->err_msg = |
1369 |
+ |
strdup( "Global error. minimizer_maxiteration is not a double or int.\n" ); |
1370 |
+ |
return 1; |
1371 |
+ |
break; |
1372 |
+ |
|
1373 |
+ |
case DOUBLE: |
1374 |
+ |
minimizer_maxiteration = the_event->evt.asmt.rhs.dval; |
1375 |
+ |
have_minimizer_maxiteration = 1; |
1376 |
+ |
return 1; |
1377 |
+ |
break; |
1378 |
+ |
|
1379 |
+ |
case INT: |
1380 |
+ |
minimizer_maxiteration = the_event->evt.asmt.rhs.ival; |
1381 |
+ |
have_minimizer_maxiteration = 1; |
1382 |
+ |
return 1; |
1383 |
+ |
break; |
1384 |
+ |
|
1385 |
+ |
default: |
1386 |
+ |
the_event->err_msg = |
1387 |
+ |
strdup( "Global error. minimizer_maxiteration unrecognized.\n" ); |
1388 |
+ |
return 0; |
1389 |
+ |
break; |
1390 |
+ |
} |
1391 |
+ |
break; |
1392 |
+ |
|
1393 |
+ |
case G_MIN_WRITEFRQ: |
1394 |
+ |
switch( the_type ){ |
1395 |
+ |
|
1396 |
+ |
case STRING: |
1397 |
+ |
the_event->err_msg = |
1398 |
+ |
strdup( "Global error. minimizer_writefrq is not a double or int.\n" ); |
1399 |
+ |
return 1; |
1400 |
+ |
break; |
1401 |
+ |
|
1402 |
+ |
case DOUBLE: |
1403 |
+ |
minimizer_writefrq= the_event->evt.asmt.rhs.dval; |
1404 |
+ |
have_minimizer_writefrq = 1; |
1405 |
+ |
return 1; |
1406 |
+ |
break; |
1407 |
+ |
|
1408 |
+ |
case INT: |
1409 |
+ |
minimizer_writefrq= the_event->evt.asmt.rhs.ival; |
1410 |
+ |
have_minimizer_writefrq = 1; |
1411 |
+ |
return 1; |
1412 |
+ |
break; |
1413 |
+ |
|
1414 |
+ |
default: |
1415 |
+ |
the_event->err_msg = |
1416 |
+ |
strdup( "Global error. minimizer_writefrq unrecognized.\n" ); |
1417 |
+ |
return 0; |
1418 |
+ |
break; |
1419 |
+ |
} |
1420 |
+ |
break; |
1421 |
+ |
|
1422 |
+ |
case G_MIN_STEPSIZE: |
1423 |
+ |
switch( the_type ){ |
1424 |
+ |
|
1425 |
+ |
case STRING: |
1426 |
+ |
the_event->err_msg = |
1427 |
+ |
strdup( "Global error. minimizer_resetfrq is not a double or int.\n" ); |
1428 |
+ |
return 1; |
1429 |
+ |
break; |
1430 |
+ |
|
1431 |
+ |
case DOUBLE: |
1432 |
+ |
minimizer_stepsize= the_event->evt.asmt.rhs.dval; |
1433 |
+ |
have_minimizer_stepsize = 1; |
1434 |
+ |
return 1; |
1435 |
+ |
break; |
1436 |
+ |
|
1437 |
+ |
case INT: |
1438 |
+ |
minimizer_stepsize= the_event->evt.asmt.rhs.ival; |
1439 |
+ |
have_minimizer_stepsize = 1; |
1440 |
+ |
return 1; |
1441 |
+ |
break; |
1442 |
+ |
|
1443 |
+ |
default: |
1444 |
+ |
the_event->err_msg = |
1445 |
+ |
strdup( "Global error. minimizer_resetfrq unrecognized.\n" ); |
1446 |
+ |
return 0; |
1447 |
+ |
break; |
1448 |
+ |
} |
1449 |
+ |
break; |
1450 |
+ |
|
1451 |
+ |
case G_MIN_FTOL: |
1452 |
+ |
switch( the_type ){ |
1453 |
+ |
|
1454 |
+ |
case STRING: |
1455 |
+ |
the_event->err_msg = |
1456 |
+ |
strdup( "Global error. minimizer_ftol is not a double or int.\n" ); |
1457 |
+ |
return 1; |
1458 |
+ |
break; |
1459 |
+ |
|
1460 |
+ |
case DOUBLE: |
1461 |
+ |
minimizer_ftol= the_event->evt.asmt.rhs.dval; |
1462 |
+ |
have_minimizer_ftol = 1; |
1463 |
+ |
return 1; |
1464 |
+ |
break; |
1465 |
+ |
|
1466 |
+ |
case INT: |
1467 |
+ |
minimizer_ftol= the_event->evt.asmt.rhs.ival; |
1468 |
+ |
have_minimizer_ftol = 1; |
1469 |
+ |
return 1; |
1470 |
+ |
break; |
1471 |
+ |
|
1472 |
+ |
default: |
1473 |
+ |
the_event->err_msg = |
1474 |
+ |
strdup( "Global error. minimizer_ftol unrecognized.\n" ); |
1475 |
+ |
return 0; |
1476 |
+ |
break; |
1477 |
+ |
} |
1478 |
+ |
break; |
1479 |
+ |
|
1480 |
+ |
case G_MIN_GTOL: |
1481 |
+ |
switch( the_type ){ |
1482 |
+ |
|
1483 |
+ |
case STRING: |
1484 |
+ |
the_event->err_msg = |
1485 |
+ |
strdup( "Global error. minimizer_gtol is not a double or int.\n" ); |
1486 |
+ |
return 1; |
1487 |
+ |
break; |
1488 |
+ |
|
1489 |
+ |
case DOUBLE: |
1490 |
+ |
minimizer_gtol= the_event->evt.asmt.rhs.dval; |
1491 |
+ |
have_minimizer_gtol = 1; |
1492 |
+ |
return 1; |
1493 |
+ |
break; |
1494 |
+ |
|
1495 |
+ |
case INT: |
1496 |
+ |
minimizer_gtol= the_event->evt.asmt.rhs.ival; |
1497 |
+ |
have_minimizer_gtol = 1; |
1498 |
+ |
return 1; |
1499 |
+ |
break; |
1500 |
+ |
|
1501 |
+ |
default: |
1502 |
+ |
the_event->err_msg = |
1503 |
+ |
strdup( "Global error. minimizer_gtol unrecognized.\n" ); |
1504 |
+ |
return 0; |
1505 |
+ |
break; |
1506 |
+ |
} |
1507 |
+ |
break; |
1508 |
+ |
|
1509 |
+ |
case G_MIN_LSMAXITER: |
1510 |
+ |
switch( the_type ){ |
1511 |
+ |
|
1512 |
+ |
case STRING: |
1513 |
+ |
the_event->err_msg = |
1514 |
+ |
strdup( "Global error. minimizer_ls_maxiteration is not a double or int.\n" ); |
1515 |
+ |
return 1; |
1516 |
+ |
break; |
1517 |
+ |
|
1518 |
+ |
case DOUBLE: |
1519 |
+ |
minimizer_ls_maxiteration = the_event->evt.asmt.rhs.dval; |
1520 |
+ |
have_minimizer_ls_maxiteration = 1; |
1521 |
+ |
return 1; |
1522 |
+ |
break; |
1523 |
+ |
|
1524 |
+ |
case INT: |
1525 |
+ |
minimizer_ls_maxiteration = the_event->evt.asmt.rhs.ival; |
1526 |
+ |
have_minimizer_ls_maxiteration = 1; |
1527 |
+ |
return 1; |
1528 |
+ |
break; |
1529 |
+ |
|
1530 |
+ |
default: |
1531 |
+ |
the_event->err_msg = |
1532 |
+ |
strdup( "Global error. minimizer_ls_maxiteration unrecognized.\n" ); |
1533 |
+ |
return 0; |
1534 |
+ |
break; |
1535 |
+ |
} |
1536 |
+ |
break; |
1537 |
+ |
|
1538 |
+ |
case G_MIN_LSTOL: |
1539 |
+ |
switch( the_type ){ |
1540 |
+ |
|
1541 |
+ |
case STRING: |
1542 |
+ |
the_event->err_msg = |
1543 |
+ |
strdup( "Global error. minimizer_ls_tol is not a double or int.\n" ); |
1544 |
+ |
return 1; |
1545 |
+ |
break; |
1546 |
+ |
|
1547 |
+ |
case DOUBLE: |
1548 |
+ |
minimizer_ls_tol= the_event->evt.asmt.rhs.dval; |
1549 |
+ |
have_minimizer_ls_tol = 1; |
1550 |
+ |
return 1; |
1551 |
+ |
break; |
1552 |
+ |
|
1553 |
+ |
case INT: |
1554 |
+ |
minimizer_ls_tol= the_event->evt.asmt.rhs.ival; |
1555 |
+ |
have_minimizer_ls_tol = 1; |
1556 |
+ |
return 1; |
1557 |
+ |
break; |
1558 |
+ |
|
1559 |
+ |
default: |
1560 |
+ |
the_event->err_msg = |
1561 |
+ |
strdup( "Global error. minimizer_ls_tol unrecognized.\n" ); |
1562 |
+ |
return 0; |
1563 |
+ |
break; |
1564 |
+ |
} |
1565 |
+ |
break; |
1566 |
+ |
|
1567 |
+ |
// add more token cases here. |
1568 |
+ |
case G_SEED: |
1569 |
+ |
switch( the_type ){ |
1570 |
+ |
|
1571 |
+ |
case STRING: |
1572 |
+ |
the_event->err_msg = |
1573 |
+ |
strdup( "Global error. seed is not a string.\n" ); |
1574 |
+ |
return 0; |
1575 |
+ |
return 0; |
1576 |
+ |
break; |
1577 |
+ |
|
1578 |
+ |
case DOUBLE: |
1579 |
+ |
have_seed = 1; |
1580 |
+ |
seed = (int)the_event->evt.asmt.rhs.dval; |
1581 |
+ |
return 1; |
1582 |
+ |
break; |
1583 |
+ |
|
1584 |
+ |
case INT: |
1585 |
+ |
have_seed = 1; |
1586 |
+ |
seed = the_event->evt.asmt.rhs.ival ; |
1587 |
+ |
return 1; |
1588 |
+ |
break; |
1589 |
+ |
|
1590 |
+ |
default: |
1591 |
+ |
the_event->err_msg = |
1592 |
+ |
strdup( "Global error. seed unrecognized.\n" ); |
1593 |
+ |
return 0; |
1594 |
+ |
break; |
1595 |
+ |
} |
1596 |
+ |
break; |
1597 |
+ |
// add more token cases here. |
1598 |
+ |
|
1599 |
|
} |
1600 |
|
} |
1601 |
|
|
1655 |
|
strcat( err, "\t->targetTemp\n" ); |
1656 |
|
have_err= 1; |
1657 |
|
} |
1658 |
+ |
|
1659 |
|
|
1660 |
< |
if( !have_ensemble ){ |
1661 |
< |
strcat( err, "\t->ensemble\n" ); |
1662 |
< |
have_err= 1; |
1663 |
< |
} |
1660 |
> |
if(!have_minimizer) |
1661 |
> |
if( !have_ensemble ){ |
1662 |
> |
strcat( err, "\t->ensemble\n" ); |
1663 |
> |
have_err= 1; |
1664 |
> |
} |
1665 |
|
|
1666 |
|
if( !have_dt ){ |
1667 |
|
strcat( err, "\t->dt\n" ); |