| 36 |
|
#include "brains/MoleculeCreator.hpp" |
| 37 |
|
#include "primitives/GhostBend.hpp" |
| 38 |
|
#include "types/DirectionalAtomType.hpp" |
| 39 |
+ |
#include "types/FixedBondType.hpp" |
| 40 |
|
#include "utils/simError.h" |
| 41 |
|
#include "utils/StringUtils.hpp" |
| 42 |
|
|
| 409 |
|
cg->addAtom(atom); |
| 410 |
|
return cg; |
| 411 |
|
} |
| 411 |
– |
//Constraint* MoleculeCreator::createConstraint() { |
| 412 |
|
|
| 413 |
< |
//} |
| 413 |
> |
void MoleculeCreator::createConstraintPair(Molecule* mol) { |
| 414 |
> |
|
| 415 |
> |
//add bond constraints |
| 416 |
> |
Molecule::BondIterator bi; |
| 417 |
> |
Bond* bond; |
| 418 |
> |
for (bond = mol->beginBond(bi); bond != NULL; bond = mol->nextBond(bi)) { |
| 419 |
> |
|
| 420 |
> |
BondType* bt = bond->getBondType(); |
| 421 |
> |
FixedBondType* fbt = dynamic_cast<FixedBondType*>(bt); |
| 422 |
> |
|
| 423 |
> |
//found a constraint pair |
| 424 |
> |
if (fbt != NULL) { |
| 425 |
> |
ConstraintPair* consPair = new ConstraintPair(bond->getAtomA(), bond->getAtomB(), fbt->getEquilibriumBondLength()); |
| 426 |
> |
mol->addConstraintPair(consPair); |
| 427 |
> |
} |
| 428 |
> |
|
| 429 |
> |
} |
| 430 |
|
|
| 431 |
+ |
//rigidbody -- rigidbody constraint is not support yet |
| 432 |
+ |
|
| 433 |
|
} |
| 434 |
+ |
|
| 435 |
+ |
} |
