| 135 |
|
virtual int getTopologicalDistance(int atom1, int atom2) = 0; |
| 136 |
|
|
| 137 |
|
// filling interaction blocks with pointers |
| 138 |
< |
virtual void fillInteractionData(InteractionData idat, int atom1, int atom2) = 0; |
| 139 |
< |
virtual void unpackInteractionData(InteractionData idat, int atom1, int atom2) = 0; |
| 140 |
< |
virtual void fillSkipData(InteractionData idat, int atom1, int atom2) = 0; |
| 141 |
< |
virtual void fillSelfData(SelfData sdat, int atom1); |
| 138 |
> |
virtual void fillInteractionData(InteractionData &idat, int atom1, int atom2) = 0; |
| 139 |
> |
virtual void unpackInteractionData(InteractionData &idat, int atom1, int atom2) = 0; |
| 140 |
> |
virtual void fillSkipData(InteractionData &idat, int atom1, int atom2) = 0; |
| 141 |
> |
virtual void fillSelfData(SelfData &sdat, int atom1); |
| 142 |
|
|
| 143 |
|
protected: |
| 144 |
|
SimInfo* info_; |