4 |
|
|
5 |
|
#include "MakeStamps.hpp" |
6 |
|
#include "MoleculeStamp.hpp" |
7 |
+ |
#include "RigidBodyStamp.hpp" |
8 |
|
#include "simError.h" |
9 |
|
#ifdef IS_MPI |
10 |
|
#include "mpiBASS.h" |
223 |
|
return 1; |
224 |
|
} |
225 |
|
|
225 |
– |
int MakeStamps::rigidBodyPosition( event* the_event ){ |
226 |
– |
|
227 |
– |
current_rigidbody->setPosition( the_event->evt.pos.x, |
228 |
– |
the_event->evt.pos.y, |
229 |
– |
the_event->evt.pos.z ); |
230 |
– |
return 1; |
231 |
– |
} |
232 |
– |
|
233 |
– |
|
234 |
– |
int MakeStamps::rigidBodyOrientation( event* the_event ){ |
235 |
– |
|
236 |
– |
current_rigidbody->setOrientation( the_event->evt.ornt.x, |
237 |
– |
the_event->evt.ornt.y, |
238 |
– |
the_event->evt.ornt.z ); |
239 |
– |
return 1; |
240 |
– |
} |
241 |
– |
|
226 |
|
int MakeStamps::rigidBodyAssign( event* the_event ){ |
227 |
|
|
228 |
|
switch( the_event->evt.asmt.asmt_type ){ |
274 |
|
|
275 |
|
the_event->err_msg = current_mol->addAtom( current_atom, |
276 |
|
the_event->evt.blk_index ); |
277 |
+ |
|
278 |
|
if( the_event->err_msg != NULL ) return 0; |
279 |
|
return 1; |
280 |
|
} |
383 |
|
return 0; |
384 |
|
} |
385 |
|
|
386 |
< |
int MakeStamps::bondMember( event* the_event ){ |
386 |
> |
int MakeStamps::bondMembers( event* the_event ){ |
387 |
|
|
388 |
< |
current_bond->members( the_event->evt.mbr.a, |
389 |
< |
the_event->evt.mbr.b ); |
388 |
> |
current_bond->members( the_event->evt.mbrs.a, |
389 |
> |
the_event->evt.mbrs.b ); |
390 |
|
return 1; |
391 |
|
} |
392 |
|
|
446 |
|
return 0; |
447 |
|
} |
448 |
|
|
449 |
< |
int MakeStamps::bendMember( event* the_event ){ |
449 |
> |
int MakeStamps::bendMembers( event* the_event ){ |
450 |
|
|
451 |
< |
current_bend->members( the_event->evt.mbr.a, |
452 |
< |
the_event->evt.mbr.b, |
453 |
< |
the_event->evt.mbr.c ); |
451 |
> |
current_bend->members( the_event->evt.mbrs.a, |
452 |
> |
the_event->evt.mbrs.b, |
453 |
> |
the_event->evt.mbrs.c ); |
454 |
|
return 1; |
455 |
|
} |
456 |
|
|
510 |
|
return 0; |
511 |
|
} |
512 |
|
|
513 |
< |
int MakeStamps::torsionMember( event* the_event ){ |
513 |
> |
int MakeStamps::torsionMembers( event* the_event ){ |
514 |
|
|
515 |
< |
current_torsion->members( the_event->evt.mbr.a, |
516 |
< |
the_event->evt.mbr.b, |
517 |
< |
the_event->evt.mbr.c, |
518 |
< |
the_event->evt.mbr.d ); |
515 |
> |
current_torsion->members( the_event->evt.mbrs.a, |
516 |
> |
the_event->evt.mbrs.b, |
517 |
> |
the_event->evt.mbrs.c, |
518 |
> |
the_event->evt.mbrs.d ); |
519 |
|
return 1; |
520 |
|
} |
521 |
|
|
532 |
|
|
533 |
|
return 1; |
534 |
|
} |
535 |
+ |
|
536 |
+ |
int MakeStamps::newMember( event* the_event ){ |
537 |
+ |
|
538 |
+ |
current_member = new MemberStamp; |
539 |
+ |
|
540 |
+ |
the_event->err_msg = current_rigidbody->addMember( current_member, |
541 |
+ |
the_event->evt.blk_index ); |
542 |
+ |
if( the_event->err_msg != NULL ) return 0; |
543 |
+ |
|
544 |
+ |
return 1; |
545 |
+ |
} |
546 |
+ |
|
547 |
+ |
int MakeStamps::memberAssign( event* the_event ){ |
548 |
+ |
|
549 |
+ |
switch( the_event->evt.asmt.asmt_type ){ |
550 |
+ |
|
551 |
+ |
case STRING: |
552 |
+ |
current_member->assignString( the_event->evt.asmt.lhs, |
553 |
+ |
the_event->evt.asmt.rhs.sval ); |
554 |
+ |
return 1; |
555 |
+ |
break; |
556 |
+ |
|
557 |
+ |
case DOUBLE: |
558 |
+ |
current_member->assignDouble( the_event->evt.asmt.lhs, |
559 |
+ |
the_event->evt.asmt.rhs.dval ); |
560 |
+ |
return 1; |
561 |
+ |
break; |
562 |
+ |
|
563 |
+ |
case INT: |
564 |
+ |
current_member->assignInt( the_event->evt.asmt.lhs, |
565 |
+ |
the_event->evt.asmt.rhs.ival ); |
566 |
+ |
return 1; |
567 |
+ |
break; |
568 |
+ |
|
569 |
+ |
default: |
570 |
+ |
the_event->err_msg = strdup( "MakeStamp error. Invalid member" |
571 |
+ |
" assignment type" ); |
572 |
+ |
return 0; |
573 |
+ |
break; |
574 |
+ |
} |
575 |
+ |
return 0; |
576 |
+ |
} |
577 |
+ |
|
578 |
+ |
int MakeStamps::memberEnd( event* the_event ){ |
579 |
+ |
|
580 |
+ |
the_event->err_msg = current_member->checkMe(); |
581 |
+ |
if( the_event->err_msg != NULL ) return 0; |
582 |
+ |
|
583 |
+ |
return 1; |
584 |
+ |
} |