139 |
|
return atomTypeCont_.size(); |
140 |
|
} |
141 |
|
|
142 |
< |
AtomTypeContainer getAtomTypes() { |
143 |
< |
return atomTypeCont_; |
142 |
> |
AtomTypeContainer* getAtomTypes() { |
143 |
> |
return &atomTypeCont_; |
144 |
|
} |
145 |
|
|
146 |
< |
NonBondedInteractionTypeContainer getNonBondedInteractionTypes() { |
147 |
< |
return nonBondedInteractionTypeCont_; |
146 |
> |
NonBondedInteractionTypeContainer* getNonBondedInteractionTypes() { |
147 |
> |
return &nonBondedInteractionTypeCont_; |
148 |
|
} |
149 |
|
|
150 |
|
bool addAtomType(const std::string &at, AtomType* atomType); |