| 65 |
|
|
| 66 |
|
namespace oopse { |
| 67 |
|
|
| 68 |
< |
SimInfo::SimInfo(std::vector<std::pair<MoleculeStamp*, int> >& molStampPairs, |
| 68 |
> |
SimInfo::SimInfo(MakeStamps* stamps, std::vector<std::pair<MoleculeStamp*, int> >& molStampPairs, |
| 69 |
|
ForceField* ff, Globals* simParams) : |
| 70 |
< |
forceField_(ff), simParams_(simParams), |
| 70 |
> |
stamps_(stamps), forceField_(ff), simParams_(simParams), |
| 71 |
|
ndf_(0), ndfRaw_(0), ndfTrans_(0), nZconstraint_(0), |
| 72 |
|
nGlobalMols_(0), nGlobalAtoms_(0), nGlobalCutoffGroups_(0), |
| 73 |
|
nGlobalIntegrableObjects_(0), nGlobalRigidBodies_(0), |
| 147 |
|
delete i->second; |
| 148 |
|
} |
| 149 |
|
molecules_.clear(); |
| 150 |
< |
|
| 151 |
< |
MemoryUtils::deletePointers(moleculeStamps_); |
| 152 |
< |
|
| 150 |
> |
|
| 151 |
> |
delete stamps_; |
| 152 |
|
delete sman_; |
| 153 |
|
delete simParams_; |
| 154 |
|
delete forceField_; |