Changes in src/molecule.hpp [477bb2:6a7f78c]
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src/molecule.hpp
r477bb2 r6a7f78c 106 106 107 107 // re-definition of virtual functions from PointCloud 108 const char * const GetName() const; 108 109 Vector *GetCenter() const ; 109 110 TesselPoint *GetPoint() const ; … … 296 297 bool OutputTemperatureFromTrajectories(ofstream * const output, int startstep, int endstep); 297 298 298 // Manipulation routines299 void flipActiveFlag();300 301 299 private: 302 300 int last_atom; //!< number given to last atom … … 327 325 int CountAllAtoms() const; 328 326 329 // Methods moved here from the menus330 // TODO: more refactoring needed on these methods331 void flipChosen();332 void createNewMolecule(periodentafel *periode);333 void loadFromXYZ(periodentafel *periode);334 void changeName();335 void setMoleculeFilename();336 void parseXYZIntoMolecule();337 void eraseMolecule();338 339 340 327 // merging of molecules 341 328 bool SimpleMerge(molecule *mol, molecule *srcmol);
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