| 65 |
|
#include "types/TorsionType.hpp" |
| 66 |
|
#include "types/InversionType.hpp" |
| 67 |
|
#include "types/NonBondedInteractionType.hpp" |
| 68 |
– |
#include "UseTheForce/fForceOptions.h" |
| 68 |
|
namespace OpenMD { |
| 69 |
|
|
| 70 |
|
/** |
| 138 |
|
return atomTypeCont_.size(); |
| 139 |
|
} |
| 140 |
|
|
| 141 |
< |
AtomTypeContainer getAtomTypes() { |
| 142 |
< |
return atomTypeCont_; |
| 141 |
> |
AtomTypeContainer* getAtomTypes() { |
| 142 |
> |
return &atomTypeCont_; |
| 143 |
|
} |
| 144 |
|
|
| 145 |
< |
NonBondedInteractionTypeContainer getNonBondedInteractionTypes() { |
| 146 |
< |
return nonBondedInteractionTypeCont_; |
| 145 |
> |
NonBondedInteractionTypeContainer* getNonBondedInteractionTypes() { |
| 146 |
> |
return &nonBondedInteractionTypeCont_; |
| 147 |
|
} |
| 148 |
|
|
| 149 |
|
bool addAtomType(const std::string &at, AtomType* atomType); |