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 |
|
|
186 |
|
return atoms_[i]; |
187 |
|
} |
188 |
|
|
189 |
+ |
RigidBody* getRigidBodyAt(unsigned int i) { |
190 |
+ |
assert(i < rigidBodies_.size()); |
191 |
+ |
return rigidBodies_[i]; |
192 |
+ |
} |
193 |
+ |
|
194 |
|
Atom* beginAtom(std::vector<Atom*>::iterator& i) { |
195 |
|
i = atoms_.begin(); |
196 |
|
return (i == atoms_.end()) ? NULL : *i; |
297 |
|
/** Returns the velocity of center of mass of this molecule */ |
298 |
|
Vector3d getComVel(); |
299 |
|
|
300 |
+ |
std::string getMoleculeName() { |
301 |
+ |
return moleculeName_; |
302 |
+ |
} |
303 |
+ |
|
304 |
|
friend std::ostream& operator <<(std::ostream& o, Molecule& mol); |
305 |
|
|
306 |
|
private: |