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 |
|
} |