Changes in src/molecule.hpp [6a7f78c:477bb2]

File:

• src/molecule.hpp (modified) (3 diffs)

src/molecule.hpp

@@ -106 +106 @@
 
   // re-definition of virtual functions from PointCloud
-  const char * const GetName() const;
   Vector *GetCenter() const ;
   TesselPoint *GetPoint() const ;
@@ -297 +296 @@
   bool OutputTemperatureFromTrajectories(ofstream * const output, int startstep, int endstep);
 
+  // Manipulation routines
+  void flipActiveFlag();
+
   private:
   int last_atom;      //!< number given to last atom
@@ -325 +327 @@
   int CountAllAtoms() const;
 
+  // Methods moved here from the menus
+  // TODO: more refactoring needed on these methods
+  void flipChosen();
+  void createNewMolecule(periodentafel *periode);
+  void loadFromXYZ(periodentafel *periode);
+  void changeName();
+  void setMoleculeFilename();
+  void parseXYZIntoMolecule();
+  void eraseMolecule();
+
+
   // merging of molecules
   bool SimpleMerge(molecule *mol, molecule *srcmol);