| 4 |
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|
| 5 |
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#include "interface.h" |
| 6 |
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#include "../headers/BASS_interface.h" |
| 7 |
+ |
#ifdef IS_MPI |
| 8 |
+ |
#include "../headers/mpiInterface.h" |
| 9 |
+ |
#endif |
| 10 |
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|
| 11 |
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void interface_error( event* the_event ); |
| 12 |
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| 20 |
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the_event->evt.blk_index = comp_index; |
| 21 |
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|
| 22 |
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if( !event_handler( the_event ) ) interface_error( the_event ); |
| 23 |
< |
#ifdef MPI |
| 23 |
> |
#ifdef IS_MPI |
| 24 |
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throwMPIEvent(the_event); |
| 25 |
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#endif |
| 26 |
|
|
| 37 |
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the_event->evt.blk_index = mol_index; |
| 38 |
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|
| 39 |
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if( !event_handler( the_event ) ) interface_error( the_event ); |
| 40 |
< |
#ifdef MPI |
| 40 |
> |
#ifdef IS_MPI |
| 41 |
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throwMPIEvent(the_event); |
| 42 |
|
#endif |
| 43 |
|
|
| 54 |
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the_event->evt.blk_index = atom_index; |
| 55 |
|
|
| 56 |
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if( !event_handler( the_event ) ) interface_error( the_event ); |
| 57 |
< |
#ifdef MPI |
| 57 |
> |
#ifdef IS_MPI |
| 58 |
|
throwMPIEvent(the_event); |
| 59 |
|
#endif |
| 60 |
|
|
| 71 |
|
the_event->evt.blk_index = bond_index; |
| 72 |
|
|
| 73 |
|
if( !event_handler( the_event ) ) interface_error( the_event ); |
| 74 |
< |
#ifdef MPI |
| 74 |
> |
#ifdef IS_MPI |
| 75 |
|
throwMPIEvent(the_event); |
| 76 |
|
#endif |
| 77 |
|
|
| 88 |
|
the_event->evt.blk_index = bend_index; |
| 89 |
|
|
| 90 |
|
if( !event_handler( the_event ) ) interface_error( the_event ); |
| 91 |
< |
#ifdef MPI |
| 91 |
> |
#ifdef IS_MPI |
| 92 |
|
throwMPIEvent(the_event); |
| 93 |
|
#endif |
| 94 |
|
|
| 105 |
|
the_event->evt.blk_index = torsion_index; |
| 106 |
|
|
| 107 |
|
if( !event_handler( the_event ) ) interface_error( the_event ); |
| 108 |
< |
#ifdef MPI |
| 108 |
> |
#ifdef IS_MPI |
| 109 |
|
throwMPIEvent(the_event); |
| 110 |
|
#endif |
| 111 |
|
|
| 131 |
|
the_event->evt.mbr.d = the_node->the_data.mbr.d; |
| 132 |
|
|
| 133 |
|
if( !event_handler( the_event ) ) interface_error( the_event ); |
| 134 |
< |
#ifdef MPI |
| 134 |
> |
#ifdef IS_MPI |
| 135 |
|
throwMPIEvent(the_event); |
| 136 |
|
#endif |
| 137 |
|
|
| 149 |
|
the_event->evt.cnstr = the_node->the_data.cnstr.constraint_val; |
| 150 |
|
|
| 151 |
|
if( !event_handler( the_event ) ) interface_error( the_event ); |
| 152 |
< |
#ifdef MPI |
| 152 |
> |
#ifdef IS_MPI |
| 153 |
|
throwMPIEvent(the_event); |
| 154 |
|
#endif |
| 155 |
|
|
| 186 |
|
} |
| 187 |
|
|
| 188 |
|
if( !event_handler( the_event ) ) interface_error( the_event ); |
| 189 |
< |
#ifdef MPI |
| 189 |
> |
#ifdef IS_MPI |
| 190 |
|
throwMPIEvent(the_event); |
| 191 |
|
#endif |
| 192 |
|
|
| 206 |
|
the_event->evt.pos.z = the_node->the_data.pos.z; |
| 207 |
|
|
| 208 |
|
if( !event_handler( the_event ) ) interface_error( the_event ); |
| 209 |
< |
#ifdef MPI |
| 209 |
> |
#ifdef IS_MPI |
| 210 |
|
throwMPIEvent(the_event); |
| 211 |
|
#endif |
| 212 |
|
|
| 226 |
|
the_event->evt.ornt.z = the_node->the_data.ort.z; |
| 227 |
|
|
| 228 |
|
if( !event_handler( the_event ) ) interface_error( the_event ); |
| 229 |
< |
#ifdef MPI |
| 229 |
> |
#ifdef IS_MPI |
| 230 |
|
throwMPIEvent(the_event); |
| 231 |
|
#endif |
| 232 |
|
|
| 243 |
|
the_event->err_msg = NULL; |
| 244 |
|
|
| 245 |
|
if( !event_handler( the_event ) ) interface_error( the_event ); |
| 246 |
< |
#ifdef MPI |
| 246 |
> |
#ifdef IS_MPI |
| 247 |
|
throwMPIEvent(the_event); |
| 248 |
|
#endif |
| 249 |
|
|