# | Line 233 | Line 233 | class Molecule { | |
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233 | ||
234 | Constraint* nextConstraint(std::vector<Constraint*>::iterator& i); | |
235 | ||
236 | – | //void setStampID( int info ) {stampID = info;} |
236 | ||
238 | – | void calcForces( void ); |
239 | – | |
240 | – | void atoms2rigidBodies( void ); |
241 | – | |
237 | /** return the total potential energy of short range interaction of this molecule */ | |
238 | double getPotential(); | |
239 |
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