| 4 | 
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| 5 | 
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#include "interface.h" | 
| 6 | 
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#include "../headers/BASS_interface.h" | 
| 7 | 
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#include "../headers/simError.h" | 
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#ifdef IS_MPI | 
| 9 | 
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#include "../headers/mpiBASS.h" | 
| 10 | 
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#endif | 
| 11 | 
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| 12 | 
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void interface_error( event* the_event ); | 
| 13 | 
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| 21 | 
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  the_event->evt.blk_index = comp_index; | 
| 22 | 
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| 23 | 
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  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 24 | 
< | 
#ifdef MPI | 
| 24 | 
> | 
#ifdef IS_MPI | 
| 25 | 
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  throwMPIEvent(the_event); | 
| 26 | 
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#endif | 
| 27 | 
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| 38 | 
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  the_event->evt.blk_index = mol_index; | 
| 39 | 
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| 40 | 
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  if( !event_handler( the_event ) ) interface_error( the_event ); | 
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#ifdef MPI | 
| 41 | 
> | 
#ifdef IS_MPI | 
| 42 | 
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  throwMPIEvent(the_event); | 
| 43 | 
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#endif | 
| 44 | 
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   | 
| 55 | 
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  the_event->evt.blk_index = atom_index; | 
| 56 | 
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 | 
| 57 | 
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  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 58 | 
< | 
#ifdef MPI | 
| 58 | 
> | 
#ifdef IS_MPI | 
| 59 | 
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  throwMPIEvent(the_event); | 
| 60 | 
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#endif | 
| 61 | 
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| 72 | 
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  the_event->evt.blk_index = bond_index; | 
| 73 | 
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| 74 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 75 | 
< | 
#ifdef MPI | 
| 75 | 
> | 
#ifdef IS_MPI | 
| 76 | 
  | 
  throwMPIEvent(the_event); | 
| 77 | 
  | 
#endif | 
| 78 | 
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| 89 | 
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  the_event->evt.blk_index = bend_index; | 
| 90 | 
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 | 
| 91 | 
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  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 92 | 
< | 
#ifdef MPI | 
| 92 | 
> | 
#ifdef IS_MPI | 
| 93 | 
  | 
  throwMPIEvent(the_event); | 
| 94 | 
  | 
#endif | 
| 95 | 
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   | 
| 106 | 
  | 
  the_event->evt.blk_index = torsion_index; | 
| 107 | 
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 | 
| 108 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 109 | 
< | 
#ifdef MPI | 
| 109 | 
> | 
#ifdef IS_MPI | 
| 110 | 
  | 
  throwMPIEvent(the_event); | 
| 111 | 
  | 
#endif | 
| 112 | 
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| 132 | 
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  the_event->evt.mbr.d = the_node->the_data.mbr.d; | 
| 133 | 
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 | 
| 134 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 135 | 
< | 
#ifdef MPI | 
| 135 | 
> | 
#ifdef IS_MPI | 
| 136 | 
  | 
  throwMPIEvent(the_event); | 
| 137 | 
  | 
#endif | 
| 138 | 
  | 
   | 
| 150 | 
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  the_event->evt.cnstr = the_node->the_data.cnstr.constraint_val; | 
| 151 | 
  | 
 | 
| 152 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 153 | 
< | 
#ifdef MPI | 
| 153 | 
> | 
#ifdef IS_MPI | 
| 154 | 
  | 
  throwMPIEvent(the_event); | 
| 155 | 
  | 
#endif | 
| 156 | 
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   | 
| 187 | 
  | 
  } | 
| 188 | 
  | 
 | 
| 189 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 190 | 
< | 
#ifdef MPI | 
| 190 | 
> | 
#ifdef IS_MPI | 
| 191 | 
  | 
  throwMPIEvent(the_event); | 
| 192 | 
  | 
#endif | 
| 193 | 
  | 
   | 
| 207 | 
  | 
  the_event->evt.pos.z = the_node->the_data.pos.z; | 
| 208 | 
  | 
 | 
| 209 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 210 | 
< | 
#ifdef MPI | 
| 210 | 
> | 
#ifdef IS_MPI | 
| 211 | 
  | 
  throwMPIEvent(the_event); | 
| 212 | 
  | 
#endif | 
| 213 | 
  | 
   | 
| 227 | 
  | 
  the_event->evt.ornt.z = the_node->the_data.ort.z; | 
| 228 | 
  | 
 | 
| 229 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 230 | 
< | 
#ifdef MPI | 
| 230 | 
> | 
#ifdef IS_MPI | 
| 231 | 
  | 
  throwMPIEvent(the_event); | 
| 232 | 
  | 
#endif | 
| 233 | 
  | 
   | 
| 244 | 
  | 
  the_event->err_msg = NULL; | 
| 245 | 
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 | 
| 246 | 
  | 
  if( !event_handler( the_event ) ) interface_error( the_event ); | 
| 247 | 
< | 
#ifdef MPI | 
| 247 | 
> | 
#ifdef IS_MPI | 
| 248 | 
  | 
  throwMPIEvent(the_event); | 
| 249 | 
  | 
#endif | 
| 250 | 
  | 
   | 
| 253 | 
  | 
 | 
| 254 | 
  | 
void interface_error( event* the_event ){ | 
| 255 | 
  | 
 | 
| 256 | 
< | 
  fprintf( stderr, | 
| 256 | 
> | 
  sprintf( painCave.errMsg, | 
| 257 | 
  | 
           "**Interface event error**\n" | 
| 258 | 
  | 
           "%s\n", | 
| 259 | 
  | 
           the_event->err_msg ); | 
| 260 | 
< | 
  exit(1); | 
| 260 | 
> | 
  painCave.isFatal = 1; | 
| 261 | 
> | 
  simError(); | 
| 262 | 
  | 
} |