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() { |