| 61 |
|
|
| 62 |
|
Molecule::~Molecule() { |
| 63 |
|
|
| 64 |
< |
MemoryUtils::deleteVectorOfPointer(atoms_); |
| 65 |
< |
MemoryUtils::deleteVectorOfPointer(bonds_); |
| 66 |
< |
MemoryUtils::deleteVectorOfPointer(bends_); |
| 67 |
< |
MemoryUtils::deleteVectorOfPointer(torsions_); |
| 68 |
< |
MemoryUtils::deleteVectorOfPointer(rigidBodies_); |
| 69 |
< |
MemoryUtils::deleteVectorOfPointer(cutoffGroups_); |
| 70 |
< |
MemoryUtils::deleteVectorOfPointer(constraintPairs_); |
| 71 |
< |
MemoryUtils::deleteVectorOfPointer(constraintElems_); |
| 64 |
> |
MemoryUtils::deletePointers(atoms_); |
| 65 |
> |
MemoryUtils::deletePointers(bonds_); |
| 66 |
> |
MemoryUtils::deletePointers(bends_); |
| 67 |
> |
MemoryUtils::deletePointers(torsions_); |
| 68 |
> |
MemoryUtils::deletePointers(rigidBodies_); |
| 69 |
> |
MemoryUtils::deletePointers(cutoffGroups_); |
| 70 |
> |
MemoryUtils::deletePointers(constraintPairs_); |
| 71 |
> |
MemoryUtils::deletePointers(constraintElems_); |
| 72 |
|
//integrableObjects_ don't own the objects |
| 73 |
|
integrableObjects_.clear(); |
| 74 |
|
|
| 160 |
|
// painCave.isFatal = 1; |
| 161 |
|
// simError(); |
| 162 |
|
//} |
| 163 |
< |
|
| 164 |
< |
integrableObjects_.insert(integrableObjects_.end(), rigidBodies_.begin(), rigidBodies_.end()); |
| 163 |
> |
for (rb = beginRigidBody(rbIter); rb != NULL; rb = nextRigidBody(rbIter)) { |
| 164 |
> |
integrableObjects_.push_back(rb); |
| 165 |
> |
} |
| 166 |
> |
//integrableObjects_.insert(integrableObjects_.end(), rigidBodies_.begin(), rigidBodies_.end()); |
| 167 |
|
} |
| 168 |
|
|
| 169 |
|
double Molecule::getMass() { |
