111 |
|
* Sets the global index of this molecule. |
112 |
|
* @param new global index to be set |
113 |
|
*/ |
114 |
< |
int setGlobalIndex(int index) { |
115 |
< |
return globalIndex_; |
114 |
> |
void setGlobalIndex(int index) { |
115 |
> |
globalIndex_ = index; |
116 |
|
} |
117 |
|
|
118 |
|
|
292 |
|
/** Returns the velocity of center of mass of this molecule */ |
293 |
|
Vector3d getComVel(); |
294 |
|
|
295 |
+ |
std::string getMoleculeName() { |
296 |
+ |
return moleculeName_; |
297 |
+ |
} |
298 |
+ |
|
299 |
|
friend std::ostream& operator <<(std::ostream& o, Molecule& mol); |
300 |
|
|
301 |
|
private: |