1 |
#include <cstdlib> |
2 |
#include <cstdio> |
3 |
#include <cstring> |
4 |
|
5 |
#include "Globals.hpp" |
6 |
#include "simError.h" |
7 |
#ifdef IS_MPI |
8 |
#include "mpiBASS.h" |
9 |
#endif // is_mpi |
10 |
|
11 |
/* |
12 |
* The following section lists all of the defined tokens for the |
13 |
* gloabal assignment statements. All are prefixed with a G_ to avoid |
14 |
* stepping on any previously defined enumerations. |
15 |
* |
16 |
* NOTE: tokens start at 1, 0 is a resrved token number |
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 |
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 |
44 |
|
45 |
|
46 |
Globals::Globals(){ |
47 |
|
48 |
int i; |
49 |
|
50 |
components = NULL; |
51 |
|
52 |
command_table = new LinkedCommand*[hash_size]; |
53 |
for( i=0; i<hash_size; i++ ) command_table[i] = NULL; |
54 |
|
55 |
addHash( "forceField", G_FORCEFIELD ); |
56 |
addHash( "nComponents", G_NCOMPONENTS ); |
57 |
addHash( "targetTemp", G_TARGETTEMP ); |
58 |
addHash( "ensemble", G_ENSEMBLE ); |
59 |
|
60 |
addHash( "dt", G_DT ); |
61 |
addHash( "runTime", G_RUNTIME ); |
62 |
|
63 |
addHash( "initialConfig", G_INITIALCONFIG ); |
64 |
addHash( "finalConfig", G_FINALCONFIG ); |
65 |
addHash( "nMol", G_NMOL ); |
66 |
addHash( "density", G_DENSITY ); |
67 |
addHash( "box", G_BOX ); |
68 |
addHash( "boxX", G_BOXX ); |
69 |
addHash( "boxY", G_BOXY ); |
70 |
addHash( "boxZ", G_BOXZ ); |
71 |
addHash( "sampleTime", G_SAMPLETIME ); |
72 |
addHash( "statusTime", G_STATUSTIME ); |
73 |
addHash( "rRF", G_RRF ); |
74 |
addHash( "dielectric", G_DIELECTRIC ); |
75 |
addHash( "tempSet", G_TEMPSET ); |
76 |
addHash( "thermalTime", G_THERMALTIME ); |
77 |
addHash("mixingRule", G_MIXINGRULE); |
78 |
mixingRule = "standard"; //default mixing rules to standard. |
79 |
addHash("periodicBoundryConditions", G_USEPBC); |
80 |
usePBC = 1; //default periodic boundry conditions to on |
81 |
|
82 |
|
83 |
have_force_field = 0; |
84 |
have_n_components = 0; |
85 |
have_target_temp = 0; |
86 |
have_ensemble = 0; |
87 |
have_dt = 0; |
88 |
have_run_time = 0; |
89 |
|
90 |
have_initial_config = 0; |
91 |
have_final_config = 0; |
92 |
have_n_mol = 0; |
93 |
have_density = 0; |
94 |
have_box = 0; |
95 |
have_box_x = 0; |
96 |
have_box_y = 0; |
97 |
have_box_y = 0; |
98 |
have_box_z = 0; |
99 |
have_sample_time = 0; |
100 |
have_status_time = 0; |
101 |
have_thermal_time = 0; |
102 |
have_rrf = 0; |
103 |
have_dielectric = 0; |
104 |
have_tempSet = 0; |
105 |
} |
106 |
|
107 |
Globals::~Globals(){ |
108 |
int i; |
109 |
|
110 |
for( i=0; i<hash_size; i++ ){ |
111 |
if( command_table[i] != NULL ) delete command_table[i]; |
112 |
} |
113 |
delete[] command_table; |
114 |
|
115 |
if( components != NULL ){ |
116 |
for( i=0; i<n_components; i++ ) delete components[i]; |
117 |
delete[] components; |
118 |
} |
119 |
} |
120 |
|
121 |
int Globals::newComponent( event* the_event ){ |
122 |
|
123 |
current_component = new Component; |
124 |
int index = the_event->evt.blk_index; |
125 |
char err[200]; |
126 |
|
127 |
if( have_n_components && index < n_components ) |
128 |
components[index] = current_component; |
129 |
else{ |
130 |
if( have_n_components ){ |
131 |
sprintf( err, "Globals error, %d out of nComponents range", |
132 |
index ); |
133 |
the_event->err_msg = strdup( err ); |
134 |
return 0; |
135 |
} |
136 |
else{ |
137 |
the_event->err_msg = strdup("Globals error, nComponents not given before" |
138 |
"first component declaration." ); |
139 |
return 0; |
140 |
} |
141 |
} |
142 |
|
143 |
return 1; |
144 |
} |
145 |
|
146 |
|
147 |
|
148 |
int Globals::componentAssign( event* the_event ){ |
149 |
|
150 |
switch( the_event->evt.asmt.asmt_type ){ |
151 |
|
152 |
case STRING: |
153 |
return current_component->assignString( the_event->evt.asmt.lhs, |
154 |
the_event->evt.asmt.rhs.sval, |
155 |
&(the_event->err_msg)); |
156 |
break; |
157 |
|
158 |
case DOUBLE: |
159 |
return current_component->assignDouble( the_event->evt.asmt.lhs, |
160 |
the_event->evt.asmt.rhs.dval, |
161 |
&(the_event->err_msg)); |
162 |
break; |
163 |
|
164 |
case INT: |
165 |
return current_component->assignInt( the_event->evt.asmt.lhs, |
166 |
the_event->evt.asmt.rhs.ival, |
167 |
&(the_event->err_msg)); |
168 |
break; |
169 |
|
170 |
default: |
171 |
the_event->err_msg = strdup( "Globals error. Invalid component" |
172 |
" assignment type" ); |
173 |
return 0; |
174 |
break; |
175 |
} |
176 |
return 0; |
177 |
} |
178 |
|
179 |
int Globals::componentStartIndex( event* the_event ){ |
180 |
|
181 |
current_component->startIndex( the_event->evt.si.array, |
182 |
the_event->evt.si.n_elements ); |
183 |
return 1; |
184 |
} |
185 |
|
186 |
int Globals::componentEnd( event* the_event ){ |
187 |
|
188 |
the_event->err_msg = current_component->checkMe(); |
189 |
if( the_event->err_msg != NULL ) return 0; |
190 |
|
191 |
return 1; |
192 |
} |
193 |
|
194 |
int Globals::globalAssign( event* the_event ){ |
195 |
|
196 |
int key; |
197 |
int token; |
198 |
interface_assign_type the_type = the_event->evt.asmt.asmt_type; |
199 |
char* lhs = the_event->evt.asmt.lhs; |
200 |
char err[300]; |
201 |
|
202 |
token = 0; |
203 |
key = hash( lhs ); |
204 |
if( command_table[key] != NULL ) token = command_table[key]->match( lhs ); |
205 |
|
206 |
if( token ){ |
207 |
|
208 |
switch( token ){ |
209 |
|
210 |
case G_FORCEFIELD: |
211 |
if( the_type == STRING ){ |
212 |
strcpy( force_field, the_event->evt.asmt.rhs.sval ); |
213 |
have_force_field = 1; |
214 |
return 1; |
215 |
} |
216 |
|
217 |
the_event->err_msg = |
218 |
strdup( "Global error. forceField was not a string assignment.\n" ); |
219 |
return 0; |
220 |
break; |
221 |
|
222 |
case G_NCOMPONENTS: |
223 |
if( the_type == STRING ){ |
224 |
the_event->err_msg = |
225 |
strdup("Global error. nComponents is not a double or an int.\n" ); |
226 |
return 0; |
227 |
} |
228 |
|
229 |
else if( the_type == DOUBLE ){ |
230 |
n_components = (int)the_event->evt.asmt.rhs.dval; |
231 |
components = new Component*[n_components]; |
232 |
have_n_components = 1; |
233 |
return 1; |
234 |
} |
235 |
|
236 |
else{ |
237 |
n_components = the_event->evt.asmt.rhs.ival; |
238 |
components = new Component*[n_components]; |
239 |
have_n_components = 1; |
240 |
return 1; |
241 |
} |
242 |
break; |
243 |
|
244 |
case G_TARGETTEMP: |
245 |
switch( the_type ){ |
246 |
|
247 |
case STRING: |
248 |
the_event->err_msg = |
249 |
strdup( "Global error. targetTemp is not a double or int.\n" ); |
250 |
return 0; |
251 |
break; |
252 |
|
253 |
case DOUBLE: |
254 |
target_temp = the_event->evt.asmt.rhs.dval; |
255 |
have_target_temp = 1; |
256 |
return 1; |
257 |
break; |
258 |
|
259 |
case INT: |
260 |
target_temp = (double)the_event->evt.asmt.rhs.ival; |
261 |
have_target_temp = 1; |
262 |
return 1; |
263 |
break; |
264 |
|
265 |
default: |
266 |
the_event->err_msg = |
267 |
strdup( "Global error. targetTemp unrecognized.\n" ); |
268 |
return 0; |
269 |
break; |
270 |
} |
271 |
break; |
272 |
|
273 |
case G_ENSEMBLE: |
274 |
if( the_type == STRING ){ |
275 |
strcpy( ensemble, the_event->evt.asmt.rhs.sval ); |
276 |
have_ensemble = 1; |
277 |
return 1; |
278 |
} |
279 |
|
280 |
the_event->err_msg = |
281 |
strdup( "Global error. ensemble was not assigned to a string\n" ); |
282 |
return 0; |
283 |
break; |
284 |
|
285 |
case G_MIXINGRULE: |
286 |
if( the_type == STRING ){ |
287 |
strcpy( mixingRule, the_event->evt.asmt.rhs.sval ); |
288 |
return 1; |
289 |
} |
290 |
|
291 |
the_event->err_msg = |
292 |
strdup( "Global error. mixing rule was not assigned to a string\n" ); |
293 |
return 0; |
294 |
break; |
295 |
|
296 |
case G_DT: |
297 |
switch( the_type ){ |
298 |
|
299 |
case STRING: |
300 |
the_event->err_msg = |
301 |
strdup( "Global error. dt is not a double or int.\n" ); |
302 |
return 0; |
303 |
break; |
304 |
|
305 |
case DOUBLE: |
306 |
dt = the_event->evt.asmt.rhs.dval; |
307 |
have_dt = 1; |
308 |
return 1; |
309 |
break; |
310 |
|
311 |
case INT: |
312 |
dt = (double)the_event->evt.asmt.rhs.ival; |
313 |
have_dt = 1; |
314 |
return 1; |
315 |
break; |
316 |
|
317 |
default: |
318 |
the_event->err_msg = |
319 |
strdup( "Global error. dt unrecognized.\n" ); |
320 |
return 0; |
321 |
break; |
322 |
} |
323 |
break; |
324 |
|
325 |
case G_RUNTIME: |
326 |
switch( the_type ){ |
327 |
|
328 |
case STRING: |
329 |
the_event->err_msg = |
330 |
strdup( "Global error. runTime is not a double or int.\n" ); |
331 |
return 0; |
332 |
break; |
333 |
|
334 |
case DOUBLE: |
335 |
run_time = the_event->evt.asmt.rhs.dval; |
336 |
have_run_time = 1; |
337 |
return 1; |
338 |
break; |
339 |
|
340 |
case INT: |
341 |
run_time = (double)the_event->evt.asmt.rhs.ival; |
342 |
have_run_time = 1; |
343 |
return 1; |
344 |
break; |
345 |
|
346 |
default: |
347 |
the_event->err_msg = |
348 |
strdup( "Global error. runTime unrecognized.\n" ); |
349 |
return 0; |
350 |
break; |
351 |
} |
352 |
break; |
353 |
|
354 |
case G_INITIALCONFIG: |
355 |
if( the_type == STRING ){ |
356 |
strcpy( initial_config, the_event->evt.asmt.rhs.sval ); |
357 |
have_initial_config = 1; |
358 |
return 1; |
359 |
} |
360 |
|
361 |
the_event->err_msg = |
362 |
strdup( "Global error. initialConfig was not a string assignment.\n" ); |
363 |
return 0; |
364 |
break; |
365 |
|
366 |
case G_FINALCONFIG: |
367 |
if( the_type == STRING ){ |
368 |
strcpy( final_config, the_event->evt.asmt.rhs.sval ); |
369 |
have_final_config = 1; |
370 |
return 1; |
371 |
} |
372 |
|
373 |
the_event->err_msg = |
374 |
strdup( "Global error. finalConfig was not a string assignment.\n" ); |
375 |
return 0; |
376 |
break; |
377 |
|
378 |
case G_NMOL: |
379 |
switch( the_type ){ |
380 |
|
381 |
case STRING: |
382 |
the_event->err_msg = |
383 |
strdup( "Global error. nMol is not a double or int.\n" ); |
384 |
return 0; |
385 |
break; |
386 |
|
387 |
case DOUBLE: |
388 |
n_mol = (int)the_event->evt.asmt.rhs.dval; |
389 |
have_n_mol = 1; |
390 |
return 1; |
391 |
break; |
392 |
|
393 |
case INT: |
394 |
n_mol = the_event->evt.asmt.rhs.ival; |
395 |
have_n_mol = 1; |
396 |
return 1; |
397 |
break; |
398 |
|
399 |
default: |
400 |
the_event->err_msg = |
401 |
strdup( "Global error. nMol unrecognized.\n" ); |
402 |
return 0; |
403 |
break; |
404 |
} |
405 |
break; |
406 |
|
407 |
case G_DENSITY: |
408 |
switch( the_type ){ |
409 |
|
410 |
case STRING: |
411 |
the_event->err_msg = |
412 |
strdup( "Global error. density is not a double or int.\n" ); |
413 |
return 0; |
414 |
break; |
415 |
|
416 |
case DOUBLE: |
417 |
density = the_event->evt.asmt.rhs.dval; |
418 |
have_density = 1; |
419 |
return 1; |
420 |
break; |
421 |
|
422 |
case INT: |
423 |
density = (double)the_event->evt.asmt.rhs.ival; |
424 |
have_density = 1; |
425 |
return 1; |
426 |
break; |
427 |
|
428 |
default: |
429 |
the_event->err_msg = |
430 |
strdup( "Global error. density unrecognized.\n" ); |
431 |
return 0; |
432 |
break; |
433 |
} |
434 |
break; |
435 |
|
436 |
case G_BOX: |
437 |
switch( the_type ){ |
438 |
|
439 |
case STRING: |
440 |
the_event->err_msg = |
441 |
strdup( "Global error. box is not a double or int.\n" ); |
442 |
return 0; |
443 |
break; |
444 |
|
445 |
case DOUBLE: |
446 |
box = the_event->evt.asmt.rhs.dval; |
447 |
have_box = 1; |
448 |
return 1; |
449 |
break; |
450 |
|
451 |
case INT: |
452 |
box = (double)the_event->evt.asmt.rhs.ival; |
453 |
have_box = 1; |
454 |
return 1; |
455 |
break; |
456 |
|
457 |
default: |
458 |
the_event->err_msg = |
459 |
strdup( "Global error. box unrecognized.\n" ); |
460 |
return 0; |
461 |
break; |
462 |
} |
463 |
break; |
464 |
|
465 |
case G_BOXX: |
466 |
switch( the_type ){ |
467 |
|
468 |
case STRING: |
469 |
the_event->err_msg = |
470 |
strdup( "Global error. boxX is not a double or int.\n" ); |
471 |
return 0; |
472 |
break; |
473 |
|
474 |
case DOUBLE: |
475 |
box_x = the_event->evt.asmt.rhs.dval; |
476 |
have_box_x = 1; |
477 |
return 1; |
478 |
break; |
479 |
|
480 |
case INT: |
481 |
box_x = (double)the_event->evt.asmt.rhs.ival; |
482 |
have_box_x = 1; |
483 |
return 1; |
484 |
break; |
485 |
|
486 |
default: |
487 |
the_event->err_msg = |
488 |
strdup( "Global error. boxX unrecognized.\n" ); |
489 |
return 0; |
490 |
break; |
491 |
} |
492 |
break; |
493 |
|
494 |
case G_BOXY: |
495 |
switch( the_type ){ |
496 |
|
497 |
case STRING: |
498 |
the_event->err_msg = |
499 |
strdup( "Global error. boxY is not a double or int.\n" ); |
500 |
return 0; |
501 |
break; |
502 |
|
503 |
case DOUBLE: |
504 |
box_y = the_event->evt.asmt.rhs.dval; |
505 |
have_box_y = 1; |
506 |
return 1; |
507 |
break; |
508 |
|
509 |
case INT: |
510 |
box_y = (double)the_event->evt.asmt.rhs.ival; |
511 |
have_box_y = 1; |
512 |
return 1; |
513 |
break; |
514 |
|
515 |
default: |
516 |
the_event->err_msg = |
517 |
strdup( "Global error. boxY unrecognized.\n" ); |
518 |
return 0; |
519 |
break; |
520 |
} |
521 |
break; |
522 |
|
523 |
case G_BOXZ: |
524 |
switch( the_type ){ |
525 |
|
526 |
case STRING: |
527 |
the_event->err_msg = |
528 |
strdup( "Global error. boxZ is not a double or int.\n" ); |
529 |
return 0; |
530 |
break; |
531 |
|
532 |
case DOUBLE: |
533 |
box_z = the_event->evt.asmt.rhs.dval; |
534 |
have_box_z = 1; |
535 |
return 1; |
536 |
break; |
537 |
|
538 |
case INT: |
539 |
box_z = (double)the_event->evt.asmt.rhs.ival; |
540 |
have_box_z = 1; |
541 |
return 1; |
542 |
break; |
543 |
|
544 |
default: |
545 |
the_event->err_msg = |
546 |
strdup( "Global error. boxZ unrecognized.\n" ); |
547 |
return 0; |
548 |
break; |
549 |
} |
550 |
break; |
551 |
|
552 |
case G_SAMPLETIME: |
553 |
switch( the_type ){ |
554 |
|
555 |
case STRING: |
556 |
the_event->err_msg = |
557 |
strdup( "Global error. sampleTime is not a double or int.\n" ); |
558 |
return 0; |
559 |
break; |
560 |
|
561 |
case DOUBLE: |
562 |
sample_time = the_event->evt.asmt.rhs.dval; |
563 |
have_sample_time = 1; |
564 |
return 1; |
565 |
break; |
566 |
|
567 |
case INT: |
568 |
sample_time = (double)the_event->evt.asmt.rhs.ival; |
569 |
have_sample_time = 1; |
570 |
return 1; |
571 |
break; |
572 |
|
573 |
default: |
574 |
the_event->err_msg = |
575 |
strdup( "Global error. sampleTime unrecognized.\n" ); |
576 |
return 0; |
577 |
break; |
578 |
} |
579 |
break; |
580 |
|
581 |
case G_STATUSTIME: |
582 |
switch( the_type ){ |
583 |
|
584 |
case STRING: |
585 |
the_event->err_msg = |
586 |
strdup( "Global error. statusTime is not a double or int.\n" ); |
587 |
return 0; |
588 |
break; |
589 |
|
590 |
case DOUBLE: |
591 |
status_time = the_event->evt.asmt.rhs.dval; |
592 |
have_status_time = 1; |
593 |
return 1; |
594 |
break; |
595 |
|
596 |
case INT: |
597 |
status_time = (double)the_event->evt.asmt.rhs.ival; |
598 |
have_status_time = 1; |
599 |
return 1; |
600 |
break; |
601 |
|
602 |
default: |
603 |
the_event->err_msg = |
604 |
strdup( "Global error. statusTime unrecognized.\n" ); |
605 |
return 0; |
606 |
break; |
607 |
} |
608 |
break; |
609 |
|
610 |
case G_THERMALTIME: |
611 |
switch( the_type ){ |
612 |
|
613 |
case STRING: |
614 |
the_event->err_msg = |
615 |
strdup( "Global error. thermalTime is not a double or int.\n" ); |
616 |
return 0; |
617 |
break; |
618 |
|
619 |
case DOUBLE: |
620 |
thermal_time = the_event->evt.asmt.rhs.dval; |
621 |
have_thermal_time = 1; |
622 |
return 1; |
623 |
break; |
624 |
|
625 |
case INT: |
626 |
thermal_time = (double)the_event->evt.asmt.rhs.ival; |
627 |
have_thermal_time = 1; |
628 |
return 1; |
629 |
break; |
630 |
|
631 |
default: |
632 |
the_event->err_msg = |
633 |
strdup( "Global error. thermalTime unrecognized.\n" ); |
634 |
return 0; |
635 |
break; |
636 |
} |
637 |
break; |
638 |
|
639 |
case G_RRF: |
640 |
switch( the_type ){ |
641 |
|
642 |
case STRING: |
643 |
the_event->err_msg = |
644 |
strdup( "Global error. rRF is not a double or int.\n" ); |
645 |
return 0; |
646 |
break; |
647 |
|
648 |
case DOUBLE: |
649 |
rRF = the_event->evt.asmt.rhs.dval; |
650 |
have_rrf = 1; |
651 |
return 1; |
652 |
break; |
653 |
|
654 |
case INT: |
655 |
rRF = (double)the_event->evt.asmt.rhs.ival; |
656 |
have_rrf = 1; |
657 |
return 1; |
658 |
break; |
659 |
|
660 |
default: |
661 |
the_event->err_msg = |
662 |
strdup( "Global error. rRF unrecognized.\n" ); |
663 |
return 0; |
664 |
break; |
665 |
} |
666 |
break; |
667 |
|
668 |
case G_DIELECTRIC: |
669 |
switch( the_type ){ |
670 |
|
671 |
case STRING: |
672 |
the_event->err_msg = |
673 |
strdup( "Global error. dielectric is not a double or int.\n" ); |
674 |
return 0; |
675 |
break; |
676 |
|
677 |
case DOUBLE: |
678 |
dielectric = the_event->evt.asmt.rhs.dval; |
679 |
have_dielectric = 1; |
680 |
return 1; |
681 |
break; |
682 |
|
683 |
case INT: |
684 |
dielectric = (double)the_event->evt.asmt.rhs.ival; |
685 |
have_dielectric = 1; |
686 |
return 1; |
687 |
break; |
688 |
|
689 |
default: |
690 |
the_event->err_msg = |
691 |
strdup( "Global error. dielectric unrecognized.\n" ); |
692 |
return 0; |
693 |
break; |
694 |
} |
695 |
break; |
696 |
|
697 |
case G_TEMPSET: |
698 |
if( the_type == STRING ){ |
699 |
|
700 |
if( !strcmp( "true", the_event->evt.asmt.rhs.sval )) tempSet = 1; |
701 |
else if( !strcmp( "false", the_event->evt.asmt.rhs.sval )) tempSet = 0; |
702 |
else{ |
703 |
the_event->err_msg = |
704 |
strdup( "Global error. tempSet was not \"true\" or \"false\".\n" ); |
705 |
return 0; |
706 |
} |
707 |
have_tempSet = 1; |
708 |
return 1; |
709 |
} |
710 |
|
711 |
the_event->err_msg = |
712 |
strdup( "Global error. tempSet was not \"true\" or \"false\".\n" ); |
713 |
return 0; |
714 |
break; |
715 |
|
716 |
case G_USEPBC: |
717 |
if( the_type == STRING ){ |
718 |
|
719 |
if( !strcmp( "true", the_event->evt.asmt.rhs.sval )) usePBC = 1; |
720 |
else if( !strcmp( "false", the_event->evt.asmt.rhs.sval )) usePBC = 0; |
721 |
else{ |
722 |
the_event->err_msg = |
723 |
strdup( "Global error. periodicBoundryConditions was not \"true\" or \"false\".\n" ); |
724 |
return 0; |
725 |
} |
726 |
return 1; |
727 |
} |
728 |
|
729 |
the_event->err_msg = |
730 |
strdup( "Global error. tempSet was not \"true\" or \"false\".\n" ); |
731 |
return 0; |
732 |
break; |
733 |
} |
734 |
} |
735 |
|
736 |
switch( the_type ){ |
737 |
|
738 |
case STRING: |
739 |
sprintf( err, |
740 |
"Global error. Unrecognized assignment:\n" |
741 |
"\t-> %s = %s\n", |
742 |
lhs, the_event->evt.asmt.rhs.sval ); |
743 |
break; |
744 |
|
745 |
case DOUBLE: |
746 |
sprintf( err, |
747 |
"Global error. Unrecognized assignment:\n" |
748 |
"\t-> %s = %lf\n", |
749 |
lhs, the_event->evt.asmt.rhs.dval ); |
750 |
break; |
751 |
|
752 |
case INT: |
753 |
sprintf( err, |
754 |
"Global error. Unrecognized assignment:\n" |
755 |
"\t-> %s = %d\n", |
756 |
lhs, the_event->evt.asmt.rhs.ival ); |
757 |
break; |
758 |
|
759 |
default: |
760 |
sprintf( err, |
761 |
"Global error. Unrecognized assignment:\n" |
762 |
"\t-> %s = ?\n", |
763 |
lhs ); |
764 |
break; |
765 |
} |
766 |
|
767 |
the_event->err_msg = strdup( err ); |
768 |
return 0; |
769 |
} |
770 |
|
771 |
char* Globals::checkMe( void ){ |
772 |
|
773 |
char err[300]; |
774 |
short int have_err = 0; |
775 |
|
776 |
strcpy( err, "Global error. The following are required:\n" ); |
777 |
|
778 |
if( !have_force_field ){ |
779 |
strcat( err, "\t->forceField\n" ); |
780 |
have_err= 1; |
781 |
} |
782 |
|
783 |
if( !have_n_components ){ |
784 |
strcat( err, "\t->nComponents\n" ); |
785 |
have_err= 1; |
786 |
} |
787 |
|
788 |
if( !have_target_temp ){ |
789 |
strcat( err, "\t->targetTemp\n" ); |
790 |
have_err= 1; |
791 |
} |
792 |
|
793 |
if( !have_ensemble ){ |
794 |
strcat( err, "\t->ensemble\n" ); |
795 |
have_err= 1; |
796 |
} |
797 |
|
798 |
if( !have_dt ){ |
799 |
strcat( err, "\t->dt\n" ); |
800 |
have_err= 1; |
801 |
} |
802 |
|
803 |
if( !have_run_time ){ |
804 |
strcat( err, "\t->runTime\n" ); |
805 |
have_err= 1; |
806 |
} |
807 |
|
808 |
if( have_err ) return strdup( err ); |
809 |
|
810 |
return NULL; |
811 |
} |
812 |
|
813 |
int Globals::globalEnd( event* the_event ){ |
814 |
|
815 |
the_event->err_msg = checkMe(); |
816 |
if( the_event->err_msg != NULL ) return 0; |
817 |
|
818 |
return 1; |
819 |
} |
820 |
|
821 |
int Globals::hash( char* text ){ |
822 |
|
823 |
register unsigned short int i = 0; // loop counter |
824 |
int key = 0; // the hash key |
825 |
|
826 |
while( text[i] != '\0' ){ |
827 |
|
828 |
key = ( ( key << hash_shift ) + text[i] ) % hash_size; |
829 |
|
830 |
i++; |
831 |
} |
832 |
|
833 |
if( key < 0 ){ |
834 |
|
835 |
// if the key is less than zero, we've had an overflow error |
836 |
|
837 |
sprintf( painCave.errMsg, |
838 |
"There has been an overflow error in the Globals' hash key."); |
839 |
painCave.isFatal = 1; |
840 |
simError(); |
841 |
#ifdef IS_MPI |
842 |
if( painCave.isEventLoop ){ |
843 |
if( worldRank == 0 ) mpiInterfaceExit(); |
844 |
} |
845 |
#endif //is_mpi |
846 |
} |
847 |
|
848 |
return key; |
849 |
} |
850 |
|
851 |
void Globals::addHash( char* text, int token ){ |
852 |
|
853 |
int key; |
854 |
LinkedCommand* the_element; |
855 |
|
856 |
the_element = new LinkedCommand; |
857 |
the_element->setValues( text, token ); |
858 |
|
859 |
key = hash( text ); |
860 |
the_element->setNext( command_table[key] ); |
861 |
command_table[key] = the_element; |
862 |
} |