| 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" |
| 217 |
|
int MakeStamps::newRigidBody( event* the_event ){ |
| 218 |
|
|
| 219 |
|
current_rigidbody = new RigidBodyStamp; |
| 220 |
+ |
|
| 221 |
+ |
printf("makeStamps rb index = %d\n", the_event->evt.blk_index); |
| 222 |
|
|
| 223 |
|
the_event->err_msg = current_mol->addRigidBody( current_rigidbody, |
| 224 |
|
the_event->evt.blk_index ); |
| 269 |
|
|
| 270 |
|
if( the_event->evt.mbrs.nMembers > 0 ){ |
| 271 |
|
|
| 272 |
< |
for (i = 0; i < the_event->evt.mbrs.nMembers; i++) { |
| 273 |
< |
current_rigidbody->addMember( the_event->evt.mbrs.memberList[i]); |
| 272 |
> |
for (i = 0; i < the_event->evt.mbrs.nMembers; i++) { |
| 273 |
> |
current_rigidbody->addMember(the_event->evt.mbrs.memberList[i]); |
| 274 |
|
} |
| 275 |
|
|
| 276 |
|
return 1; |
| 286 |
|
int MakeStamps::rigidBodyEnd( event* the_event ){ |
| 287 |
|
|
| 288 |
|
the_event->err_msg = current_rigidbody->checkMe(); |
| 289 |
+ |
if( the_event->err_msg != NULL ) return 0; |
| 290 |
+ |
|
| 291 |
+ |
return 1; |
| 292 |
+ |
} |
| 293 |
+ |
|
| 294 |
+ |
int MakeStamps::newCutoffGroup( event* the_event ){ |
| 295 |
+ |
|
| 296 |
+ |
current_cutoffgroup = new CutoffGroupStamp; |
| 297 |
+ |
|
| 298 |
+ |
the_event->err_msg = current_mol->addCutoffGroup( current_cutoffgroup, |
| 299 |
+ |
the_event->evt.blk_index ); |
| 300 |
+ |
if( the_event->err_msg != NULL ) return 0; |
| 301 |
+ |
return 1; |
| 302 |
+ |
} |
| 303 |
+ |
|
| 304 |
+ |
int MakeStamps::cutoffGroupAssign( event* the_event ){ |
| 305 |
+ |
|
| 306 |
+ |
switch( the_event->evt.asmt.asmt_type ){ |
| 307 |
+ |
|
| 308 |
+ |
case STRING: |
| 309 |
+ |
the_event->err_msg = |
| 310 |
+ |
current_cutoffgroup->assignString( the_event->evt.asmt.lhs, |
| 311 |
+ |
the_event->evt.asmt.rhs.sval ); |
| 312 |
+ |
if( the_event->err_msg != NULL ) return 0; |
| 313 |
+ |
return 1; |
| 314 |
+ |
break; |
| 315 |
+ |
|
| 316 |
+ |
case DOUBLE: |
| 317 |
+ |
the_event->err_msg = |
| 318 |
+ |
current_cutoffgroup->assignDouble( the_event->evt.asmt.lhs, |
| 319 |
+ |
the_event->evt.asmt.rhs.dval ); |
| 320 |
+ |
if( the_event->err_msg != NULL ) return 0; |
| 321 |
+ |
return 1; |
| 322 |
+ |
break; |
| 323 |
+ |
|
| 324 |
+ |
case INT: |
| 325 |
+ |
the_event->err_msg = |
| 326 |
+ |
current_cutoffgroup->assignInt( the_event->evt.asmt.lhs, |
| 327 |
+ |
the_event->evt.asmt.rhs.ival ); |
| 328 |
+ |
if( the_event->err_msg != NULL ) return 0; |
| 329 |
+ |
return 1; |
| 330 |
+ |
break; |
| 331 |
+ |
|
| 332 |
+ |
default: |
| 333 |
+ |
the_event->err_msg = strdup( "MakeStamp error. Invalid CutoffGroup" |
| 334 |
+ |
" assignment type" ); |
| 335 |
+ |
return 0; |
| 336 |
+ |
break; |
| 337 |
+ |
} |
| 338 |
+ |
return 0; |
| 339 |
+ |
} |
| 340 |
+ |
|
| 341 |
+ |
int MakeStamps::cutoffGroupMembers( event* the_event ){ |
| 342 |
+ |
|
| 343 |
+ |
int i; |
| 344 |
+ |
|
| 345 |
+ |
if( the_event->evt.mbrs.nMembers > 0 ){ |
| 346 |
+ |
|
| 347 |
+ |
for (i = 0; i < the_event->evt.mbrs.nMembers; i++) { |
| 348 |
+ |
current_cutoffgroup->addMember(the_event->evt.mbrs.memberList[i]); |
| 349 |
+ |
} |
| 350 |
+ |
|
| 351 |
+ |
return 1; |
| 352 |
+ |
|
| 353 |
+ |
} else { |
| 354 |
+ |
the_event->err_msg = strdup( "MakeStamp error. No members in memberList " |
| 355 |
+ |
" for this CutoffGroup."); |
| 356 |
+ |
return 0; |
| 357 |
+ |
|
| 358 |
+ |
} |
| 359 |
+ |
} |
| 360 |
+ |
|
| 361 |
+ |
int MakeStamps::cutoffGroupEnd( event* the_event ){ |
| 362 |
+ |
|
| 363 |
+ |
the_event->err_msg = current_cutoffgroup->checkMe(); |
| 364 |
|
if( the_event->err_msg != NULL ) return 0; |
| 365 |
|
|
| 366 |
|
return 1; |
