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root/OpenMD/trunk/src/primitives/Molecule.hpp
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Comparing trunk/src/primitives/Molecule.hpp (file contents):
Revision 246 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
Revision 305 by tim, Mon Feb 7 22:39:19 2005 UTC

# Line 111 | Line 111 | class Molecule {
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          
# Line 186 | Line 186 | class Molecule {
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;
# Line 292 | Line 297 | class Molecule {
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:

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