| 20 | 
  | 
  void parseFile( char* fileName ); | 
| 21 | 
  | 
  void createSim( void ); | 
| 22 | 
  | 
 | 
| 23 | 
– | 
private:   | 
| 23 | 
  | 
 | 
| 24 | 
+ | 
#ifdef IS_MPI | 
| 25 | 
+ | 
  void testMe(void); | 
| 26 | 
+ | 
#endif | 
| 27 | 
+ | 
 | 
| 28 | 
+ | 
 | 
| 29 | 
+ | 
private: | 
| 30 | 
+ | 
 | 
| 31 | 
+ | 
#ifdef IS_MPI | 
| 32 | 
+ | 
  void receiveParse(void); | 
| 33 | 
+ | 
#endif | 
| 34 | 
+ | 
 | 
| 35 | 
  | 
  void makeAtoms( void ); | 
| 26 | 
– | 
  void makeMolecules( void ); | 
| 36 | 
  | 
  void makeBonds( void ); | 
| 37 | 
  | 
  void makeBends( void ); | 
| 38 | 
  | 
  void makeTorsions( void ); | 
| 43 | 
  | 
  MakeStamps* stamps; | 
| 44 | 
  | 
  Globals* globals; | 
| 45 | 
  | 
  char* inFileName; | 
| 46 | 
< | 
   | 
| 46 | 
> | 
 | 
| 47 | 
  | 
  SimInfo* simnfo; | 
| 48 | 
< | 
   | 
| 48 | 
> | 
 | 
| 49 | 
  | 
  int n_components; | 
| 50 | 
  | 
 | 
| 51 | 
  | 
  char force_field[100]; | 
| 74 | 
  | 
  int current_comp_mol; | 
| 75 | 
  | 
  int current_comp; | 
| 76 | 
  | 
  int current_atom_ndx; | 
| 77 | 
+ | 
 | 
| 78 | 
+ | 
#ifdef IS_MPI | 
| 79 | 
+ | 
  int* globalIndex; | 
| 80 | 
+ | 
#endif //is_mpi | 
| 81 | 
+ | 
 | 
| 82 | 
  | 
}; | 
| 83 | 
  | 
#endif |