| 4 |
|
|
| 5 |
|
#include "MakeStamps.hpp" |
| 6 |
|
#include "MoleculeStamp.hpp" |
| 7 |
+ |
#include "RigidBodyStamp.hpp" |
| 8 |
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#include "simError.h" |
| 9 |
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#ifdef IS_MPI |
| 10 |
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#include "mpiBASS.h" |
| 210 |
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if( the_event->err_msg != NULL ) return 0; |
| 211 |
|
|
| 212 |
|
addMolStamp( current_mol ); |
| 213 |
+ |
return 1; |
| 214 |
+ |
} |
| 215 |
+ |
|
| 216 |
+ |
int MakeStamps::newRigidBody( event* the_event ){ |
| 217 |
+ |
|
| 218 |
+ |
current_rigidbody = new RigidBodyStamp; |
| 219 |
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|
| 220 |
+ |
the_event->err_msg = current_mol->addRigidBody( current_rigidbody, |
| 221 |
+ |
the_event->evt.blk_index ); |
| 222 |
+ |
if( the_event->err_msg != NULL ) return 0; |
| 223 |
+ |
return 1; |
| 224 |
+ |
} |
| 225 |
+ |
|
| 226 |
+ |
int MakeStamps::rigidBodyAssign( event* the_event ){ |
| 227 |
+ |
|
| 228 |
+ |
switch( the_event->evt.asmt.asmt_type ){ |
| 229 |
+ |
|
| 230 |
+ |
case STRING: |
| 231 |
+ |
the_event->err_msg = |
| 232 |
+ |
current_rigidbody->assignString( the_event->evt.asmt.lhs, |
| 233 |
+ |
the_event->evt.asmt.rhs.sval ); |
| 234 |
+ |
if( the_event->err_msg != NULL ) return 0; |
| 235 |
+ |
return 1; |
| 236 |
+ |
break; |
| 237 |
+ |
|
| 238 |
+ |
case DOUBLE: |
| 239 |
+ |
the_event->err_msg = |
| 240 |
+ |
current_rigidbody->assignDouble( the_event->evt.asmt.lhs, |
| 241 |
+ |
the_event->evt.asmt.rhs.dval ); |
| 242 |
+ |
if( the_event->err_msg != NULL ) return 0; |
| 243 |
+ |
return 1; |
| 244 |
+ |
break; |
| 245 |
+ |
|
| 246 |
+ |
case INT: |
| 247 |
+ |
the_event->err_msg = |
| 248 |
+ |
current_rigidbody->assignInt( the_event->evt.asmt.lhs, |
| 249 |
+ |
the_event->evt.asmt.rhs.ival ); |
| 250 |
+ |
if( the_event->err_msg != NULL ) return 0; |
| 251 |
+ |
return 1; |
| 252 |
+ |
break; |
| 253 |
+ |
|
| 254 |
+ |
default: |
| 255 |
+ |
the_event->err_msg = strdup( "MakeStamp error. Invalid rigidBody" |
| 256 |
+ |
" assignment type" ); |
| 257 |
+ |
return 0; |
| 258 |
+ |
break; |
| 259 |
+ |
} |
| 260 |
+ |
return 0; |
| 261 |
+ |
} |
| 262 |
+ |
|
| 263 |
+ |
int MakeStamps::rigidBodyEnd( event* the_event ){ |
| 264 |
+ |
|
| 265 |
+ |
the_event->err_msg = current_rigidbody->checkMe(); |
| 266 |
+ |
if( the_event->err_msg != NULL ) return 0; |
| 267 |
+ |
|
| 268 |
|
return 1; |
| 269 |
|
} |
| 270 |
|
|
| 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 |
+ |
} |