5 |
|
#include "MakeStamps.hpp" |
6 |
|
#include "MoleculeStamp.hpp" |
7 |
|
#include "RigidBodyStamp.hpp" |
8 |
+ |
#include "CutoffGroupStamp.hpp" |
9 |
|
#include "simError.h" |
10 |
|
#ifdef IS_MPI |
11 |
|
#include "mpiBASS.h" |
267 |
|
|
268 |
|
if( the_event->evt.mbrs.nMembers > 0 ){ |
269 |
|
|
270 |
< |
for (i = 0; i < the_event->evt.mbrs.nMembers; i++) { |
271 |
< |
current_rigidbody->addMember( the_event->evt.mbrs.memberList[i]); |
270 |
> |
for (i = 0; i < the_event->evt.mbrs.nMembers; i++) { |
271 |
> |
current_rigidbody->addMember(the_event->evt.mbrs.memberList[i]); |
272 |
|
} |
273 |
|
|
274 |
|
return 1; |
284 |
|
int MakeStamps::rigidBodyEnd( event* the_event ){ |
285 |
|
|
286 |
|
the_event->err_msg = current_rigidbody->checkMe(); |
287 |
+ |
if( the_event->err_msg != NULL ) return 0; |
288 |
+ |
|
289 |
+ |
return 1; |
290 |
+ |
} |
291 |
+ |
|
292 |
+ |
int MakeStamps::newCutoffGroup( event* the_event ){ |
293 |
+ |
|
294 |
+ |
current_cutoffgroup = new CutoffGroupStamp; |
295 |
+ |
|
296 |
+ |
the_event->err_msg = current_mol->addCutoffGroup( current_cutoffgroup, |
297 |
+ |
the_event->evt.blk_index ); |
298 |
+ |
if( the_event->err_msg != NULL ) return 0; |
299 |
+ |
return 1; |
300 |
+ |
} |
301 |
+ |
|
302 |
+ |
int MakeStamps::cutoffGroupAssign( event* the_event ){ |
303 |
+ |
|
304 |
+ |
switch( the_event->evt.asmt.asmt_type ){ |
305 |
+ |
|
306 |
+ |
case STRING: |
307 |
+ |
the_event->err_msg = |
308 |
+ |
current_cutoffgroup->assignString( the_event->evt.asmt.lhs, |
309 |
+ |
the_event->evt.asmt.rhs.sval ); |
310 |
+ |
if( the_event->err_msg != NULL ) return 0; |
311 |
+ |
return 1; |
312 |
+ |
break; |
313 |
+ |
|
314 |
+ |
case DOUBLE: |
315 |
+ |
the_event->err_msg = |
316 |
+ |
current_cutoffgroup->assignDouble( the_event->evt.asmt.lhs, |
317 |
+ |
the_event->evt.asmt.rhs.dval ); |
318 |
+ |
if( the_event->err_msg != NULL ) return 0; |
319 |
+ |
return 1; |
320 |
+ |
break; |
321 |
+ |
|
322 |
+ |
case INT: |
323 |
+ |
the_event->err_msg = |
324 |
+ |
current_cutoffgroup->assignInt( the_event->evt.asmt.lhs, |
325 |
+ |
the_event->evt.asmt.rhs.ival ); |
326 |
+ |
if( the_event->err_msg != NULL ) return 0; |
327 |
+ |
return 1; |
328 |
+ |
break; |
329 |
+ |
|
330 |
+ |
default: |
331 |
+ |
the_event->err_msg = strdup( "MakeStamp error. Invalid CutoffGroup" |
332 |
+ |
" assignment type" ); |
333 |
+ |
return 0; |
334 |
+ |
break; |
335 |
+ |
} |
336 |
+ |
return 0; |
337 |
+ |
} |
338 |
+ |
|
339 |
+ |
int MakeStamps::cutoffGroupMembers( event* the_event ){ |
340 |
+ |
|
341 |
+ |
int i; |
342 |
+ |
|
343 |
+ |
if( the_event->evt.mbrs.nMembers > 0 ){ |
344 |
+ |
|
345 |
+ |
for (i = 0; i < the_event->evt.mbrs.nMembers; i++) { |
346 |
+ |
current_cutoffgroup->addMember(the_event->evt.mbrs.memberList[i]); |
347 |
+ |
} |
348 |
+ |
|
349 |
+ |
return 1; |
350 |
+ |
|
351 |
+ |
} else { |
352 |
+ |
the_event->err_msg = strdup( "MakeStamp error. No members in memberList " |
353 |
+ |
" for this CutoffGroup."); |
354 |
+ |
return 0; |
355 |
+ |
|
356 |
+ |
} |
357 |
+ |
} |
358 |
+ |
|
359 |
+ |
int MakeStamps::cutoffGroupEnd( event* the_event ){ |
360 |
+ |
|
361 |
+ |
the_event->err_msg = current_cutoffgroup->checkMe(); |
362 |
|
if( the_event->err_msg != NULL ) return 0; |
363 |
|
|
364 |
|
return 1; |