| 17 | 
  | 
  the_event->evt.blk_index = comp_index; | 
| 18 | 
  | 
 | 
| 19 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 20 | 
< | 
   | 
| 20 | 
> | 
#ifdef MPI | 
| 21 | 
> | 
  throwMPIEvent(the_event); | 
| 22 | 
> | 
#endif | 
| 23 | 
> | 
 | 
| 24 | 
  | 
  free( the_event );   | 
| 25 | 
  | 
} | 
| 26 | 
  | 
 | 
| 34 | 
  | 
  the_event->evt.blk_index = mol_index; | 
| 35 | 
  | 
 | 
| 36 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 37 | 
+ | 
#ifdef MPI | 
| 38 | 
+ | 
  throwMPIEvent(the_event); | 
| 39 | 
+ | 
#endif | 
| 40 | 
  | 
   | 
| 41 | 
  | 
  free( the_event );   | 
| 42 | 
  | 
} | 
| 51 | 
  | 
  the_event->evt.blk_index = atom_index; | 
| 52 | 
  | 
 | 
| 53 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 54 | 
+ | 
#ifdef MPI | 
| 55 | 
+ | 
  throwMPIEvent(the_event); | 
| 56 | 
+ | 
#endif | 
| 57 | 
  | 
   | 
| 58 | 
  | 
  free( the_event ); | 
| 59 | 
  | 
} | 
| 68 | 
  | 
  the_event->evt.blk_index = bond_index; | 
| 69 | 
  | 
 | 
| 70 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 71 | 
+ | 
#ifdef MPI | 
| 72 | 
+ | 
  throwMPIEvent(the_event); | 
| 73 | 
+ | 
#endif | 
| 74 | 
  | 
   | 
| 75 | 
  | 
  free( the_event ); | 
| 76 | 
  | 
} | 
| 85 | 
  | 
  the_event->evt.blk_index = bend_index; | 
| 86 | 
  | 
 | 
| 87 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 88 | 
+ | 
#ifdef MPI | 
| 89 | 
+ | 
  throwMPIEvent(the_event); | 
| 90 | 
+ | 
#endif | 
| 91 | 
  | 
   | 
| 92 | 
  | 
  free( the_event ); | 
| 93 | 
  | 
} | 
| 102 | 
  | 
  the_event->evt.blk_index = torsion_index; | 
| 103 | 
  | 
 | 
| 104 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 105 | 
+ | 
#ifdef MPI | 
| 106 | 
+ | 
  throwMPIEvent(the_event); | 
| 107 | 
+ | 
#endif | 
| 108 | 
  | 
   | 
| 109 | 
  | 
  free( the_event ); | 
| 110 | 
  | 
} | 
| 128 | 
  | 
  the_event->evt.mbr.d = the_node->the_data.mbr.d; | 
| 129 | 
  | 
 | 
| 130 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 131 | 
+ | 
#ifdef MPI | 
| 132 | 
+ | 
  throwMPIEvent(the_event); | 
| 133 | 
+ | 
#endif | 
| 134 | 
  | 
   | 
| 135 | 
  | 
  free( the_event ); | 
| 136 | 
  | 
} | 
| 146 | 
  | 
  the_event->evt.cnstr = the_node->the_data.cnstr.constraint_val; | 
| 147 | 
  | 
 | 
| 148 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 149 | 
+ | 
#ifdef MPI | 
| 150 | 
+ | 
  throwMPIEvent(the_event); | 
| 151 | 
+ | 
#endif | 
| 152 | 
  | 
   | 
| 153 | 
  | 
  free( the_event ); | 
| 154 | 
  | 
} | 
| 183 | 
  | 
  } | 
| 184 | 
  | 
 | 
| 185 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 186 | 
+ | 
#ifdef MPI | 
| 187 | 
+ | 
  throwMPIEvent(the_event); | 
| 188 | 
+ | 
#endif | 
| 189 | 
  | 
   | 
| 190 | 
  | 
  free( the_event ); | 
| 191 | 
  | 
} | 
| 203 | 
  | 
  the_event->evt.pos.z = the_node->the_data.pos.z; | 
| 204 | 
  | 
 | 
| 205 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 206 | 
+ | 
#ifdef MPI | 
| 207 | 
+ | 
  throwMPIEvent(the_event); | 
| 208 | 
+ | 
#endif | 
| 209 | 
  | 
   | 
| 210 | 
  | 
  free( the_event ); | 
| 211 | 
  | 
} | 
| 223 | 
  | 
  the_event->evt.ornt.z = the_node->the_data.ort.z; | 
| 224 | 
  | 
 | 
| 225 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 226 | 
+ | 
#ifdef MPI | 
| 227 | 
+ | 
  throwMPIEvent(the_event); | 
| 228 | 
+ | 
#endif | 
| 229 | 
  | 
   | 
| 230 | 
  | 
  free( the_event ); | 
| 231 | 
  | 
} | 
| 232 | 
  | 
 | 
| 200 | 
– | 
void init_start_index( struct node_tag* the_node,  | 
| 201 | 
– | 
                       struct namespc the_namespc ){ | 
| 202 | 
– | 
  event* the_event; | 
| 203 | 
– | 
  int* si_array; | 
| 204 | 
– | 
  int n_elements = 0; | 
| 205 | 
– | 
  int index = 0; | 
| 233 | 
  | 
 | 
| 207 | 
– | 
  struct integer_list_tag* head; | 
| 208 | 
– | 
  struct integer_list_tag* current; | 
| 209 | 
– | 
   | 
| 210 | 
– | 
  the_event = (event* )malloc( sizeof( event ) ); | 
| 211 | 
– | 
   | 
| 212 | 
– | 
  the_event->event_type = ORIENTATION; | 
| 213 | 
– | 
  the_event->err_msg = NULL; | 
| 214 | 
– | 
 | 
| 215 | 
– | 
  head = the_node->the_data.il_head; | 
| 216 | 
– | 
  n_elements++; | 
| 217 | 
– | 
 | 
| 218 | 
– | 
  current = head->next; | 
| 219 | 
– | 
  while( current != NULL ){ | 
| 220 | 
– | 
    n_elements++; | 
| 221 | 
– | 
    current = current->next; | 
| 222 | 
– | 
  } | 
| 223 | 
– | 
 | 
| 224 | 
– | 
  the_event->evt.si.n_elements = n_elements; | 
| 225 | 
– | 
  si_array = ( int* ) calloc( n_elements, sizeof( int ) ); | 
| 226 | 
– | 
   | 
| 227 | 
– | 
  si_array[index] = head->the_int; | 
| 228 | 
– | 
   | 
| 229 | 
– | 
  current = head->next; | 
| 230 | 
– | 
  while( current != NULL ){ | 
| 231 | 
– | 
    index++; | 
| 232 | 
– | 
    si_array[index] = current->the_int; | 
| 233 | 
– | 
    current = current->next; | 
| 234 | 
– | 
  } | 
| 235 | 
– | 
  the_event->evt.si.array = si_array; | 
| 236 | 
– | 
   | 
| 237 | 
– | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 238 | 
– | 
   | 
| 239 | 
– | 
  free( the_event ); | 
| 240 | 
– | 
} | 
| 241 | 
– | 
 | 
| 234 | 
  | 
void end_of_block( void ){ | 
| 235 | 
  | 
  event* the_event; | 
| 236 | 
  | 
   | 
| 240 | 
  | 
  the_event->err_msg = NULL; | 
| 241 | 
  | 
 | 
| 242 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 243 | 
+ | 
#ifdef MPI | 
| 244 | 
+ | 
  throwMPIEvent(the_event); | 
| 245 | 
+ | 
#endif | 
| 246 | 
  | 
   | 
| 247 | 
  | 
  free( the_event ); | 
| 248 | 
  | 
} |