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_; |