135 |
|
return cutoffGroups_.size(); |
136 |
|
} |
137 |
|
|
138 |
+ |
/** Returns the total number of constraints in this molecule */ |
139 |
+ |
unsigned int getNConstraints() { |
140 |
+ |
return constraints_.size(); |
141 |
+ |
} |
142 |
+ |
|
143 |
|
/** |
144 |
|
* Returns the first atom in this molecule and initialize the iterator. |
145 |
|
* @return the first atom, return NULL if there is not cut off group in this molecule |
207 |
|
*/ |
208 |
|
CutoffGroup* nextCutoffGroup(std::vector<CutoffGroup*>::iterator& i); |
209 |
|
|
210 |
+ |
Constraint* beginConstraint(std::vector<Constraint*>::iterator& i); |
211 |
+ |
|
212 |
+ |
Constraint* nextConstraint(std::vector<Constraint*>::iterator& i); |
213 |
+ |
|
214 |
|
//void setStampID( int info ) {stampID = info;} |
215 |
|
|
216 |
|
void calcForces( void ); |
246 |
|
std::vector<RigidBody*> rigidBodies_; |
247 |
|
std::vector<StuntDouble*> integrableObjects_; |
248 |
|
std::vector<CutoffGroup*> cutoffGroups_; |
249 |
+ |
std::vector<Constraint*> constraints_; |
250 |
|
}; |
251 |
|
|
252 |
|
} //namespace oopse |