| 62 |
|
free( the_event ); |
| 63 |
|
} |
| 64 |
|
|
| 65 |
+ |
void init_cutoffgroup( int cutoffgroup_index ){ |
| 66 |
+ |
event* the_event; |
| 67 |
+ |
|
| 68 |
+ |
the_event = (event* )malloc( sizeof( event ) ); |
| 69 |
+ |
|
| 70 |
+ |
the_event->event_type = CUTOFFGROUP; |
| 71 |
+ |
the_event->err_msg = NULL; |
| 72 |
+ |
the_event->evt.blk_index = cutoffgroup_index; |
| 73 |
+ |
|
| 74 |
+ |
if( !event_handler( the_event ) ) interface_error( the_event ); |
| 75 |
+ |
#ifdef IS_MPI |
| 76 |
+ |
throwMPIEvent(the_event); |
| 77 |
+ |
#endif |
| 78 |
+ |
|
| 79 |
+ |
free( the_event ); |
| 80 |
+ |
} |
| 81 |
+ |
|
| 82 |
|
void init_atom( int atom_index ){ |
| 83 |
|
event* the_event; |
| 84 |
|
|
| 147 |
|
free( the_event ); |
| 148 |
|
} |
| 149 |
|
|
| 133 |
– |
void init_member( int member_index ){ |
| 134 |
– |
event* the_event; |
| 135 |
– |
|
| 136 |
– |
the_event = (event* )malloc( sizeof( event ) ); |
| 137 |
– |
|
| 138 |
– |
the_event->event_type = MEMBER; |
| 139 |
– |
the_event->err_msg = NULL; |
| 140 |
– |
the_event->evt.blk_index = member_index; |
| 141 |
– |
|
| 142 |
– |
if( !event_handler( the_event ) ) interface_error( the_event ); |
| 143 |
– |
#ifdef IS_MPI |
| 144 |
– |
throwMPIEvent(the_event); |
| 145 |
– |
#endif |
| 146 |
– |
|
| 147 |
– |
free( the_event ); |
| 148 |
– |
} |
| 149 |
– |
|
| 150 |
|
void init_zconstraint( int zconstraint_index ){ |
| 151 |
|
event* the_event; |
| 152 |
|
|
| 172 |
|
void init_members( struct node_tag* the_node, |
| 173 |
|
struct namespc the_namespc ){ |
| 174 |
|
event* the_event; |
| 175 |
+ |
int i; |
| 176 |
|
|
| 177 |
|
the_event = (event* )malloc( sizeof( event ) ); |
| 178 |
|
|
| 179 |
|
the_event->event_type = MEMBERS; |
| 180 |
|
the_event->err_msg = NULL; |
| 180 |
– |
the_event->evt.mbrs.a = the_node->the_data.mbrs.a; |
| 181 |
– |
the_event->evt.mbrs.b = the_node->the_data.mbrs.b; |
| 182 |
– |
the_event->evt.mbrs.c = the_node->the_data.mbrs.c; |
| 183 |
– |
the_event->evt.mbrs.d = the_node->the_data.mbrs.d; |
| 181 |
|
|
| 182 |
+ |
the_event->evt.mbrs.nMembers = the_node->the_data.mbrs.nMembers; |
| 183 |
+ |
|
| 184 |
+ |
the_event->evt.mbrs.memberList = (int *) calloc(the_node->the_data.mbrs.nMembers, |
| 185 |
+ |
sizeof(int)); |
| 186 |
+ |
|
| 187 |
+ |
for (i = 0; i < the_node->the_data.mbrs.nMembers; i++) { |
| 188 |
+ |
the_event->evt.mbrs.memberList[i] = the_node->the_data.mbrs.memberList[i]; |
| 189 |
+ |
} |
| 190 |
+ |
|
| 191 |
|
if( !event_handler( the_event ) ) interface_error( the_event ); |
| 192 |
|
#ifdef IS_MPI |
| 193 |
|
throwMPIEvent(the_event); |
| 194 |
|
#endif |
| 195 |
|
|
| 196 |
+ |
free( the_event->evt.mbrs.memberList ); |
| 197 |
|
free( the_event ); |
| 198 |
|
} |
| 199 |
|
|
| 280 |
|
|
| 281 |
|
the_event->event_type = ORIENTATION; |
| 282 |
|
the_event->err_msg = NULL; |
| 283 |
< |
the_event->evt.ornt.x = the_node->the_data.ort.x; |
| 284 |
< |
the_event->evt.ornt.y = the_node->the_data.ort.y; |
| 285 |
< |
the_event->evt.ornt.z = the_node->the_data.ort.z; |
| 283 |
> |
the_event->evt.ornt.phi = the_node->the_data.ort.phi; |
| 284 |
> |
the_event->evt.ornt.theta = the_node->the_data.ort.theta; |
| 285 |
> |
the_event->evt.ornt.psi = the_node->the_data.ort.psi; |
| 286 |
|
|
| 287 |
|
if( !event_handler( the_event ) ) interface_error( the_event ); |
| 288 |
|
#ifdef IS_MPI |
