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root/group/trunk/OOPSE/libBASS/interface.c
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Comparing trunk/OOPSE/libBASS/interface.c (file contents):
Revision 854 by mmeineke, Thu Nov 6 19:24:31 2003 UTC vs.
Revision 998 by gezelter, Thu Jan 29 23:01:17 2004 UTC

# Line 45 | Line 45 | void init_molecule( int mol_index ){
45    free( the_event );  
46   }
47  
48 + void init_rigidbody( int rigidbody_index ){
49 +  event* the_event;
50 +
51 +  the_event = (event* )malloc( sizeof( event ) );
52 +  
53 +  the_event->event_type = RIGIDBODY;
54 +  the_event->err_msg = NULL;
55 +  the_event->evt.blk_index = rigidbody_index;
56 +
57 +  if( !event_handler( the_event ) ) interface_error( the_event );
58 + #ifdef IS_MPI
59 +  throwMPIEvent(the_event);
60 + #endif
61 +  
62 +  free( the_event );  
63 + }
64 +
65   void init_atom( int atom_index ){
66    event* the_event;
67    
# Line 138 | Line 155 | void init_members( struct node_tag* the_node,
155   void init_members( struct node_tag* the_node,
156                     struct namespc the_namespc ){
157    event* the_event;
158 +  int i;
159  
160    the_event = (event* )malloc( sizeof( event ) );
161    
162 <  the_event->event_type = MEMBER;
162 >  the_event->event_type = MEMBERS;
163    the_event->err_msg = NULL;
164 <  the_event->evt.mbr.a = the_node->the_data.mbr.a;
165 <  the_event->evt.mbr.b = the_node->the_data.mbr.b;
148 <  the_event->evt.mbr.c = the_node->the_data.mbr.c;
149 <  the_event->evt.mbr.d = the_node->the_data.mbr.d;
164 >
165 >  the_event->evt.mbrs.nMembers = the_node->the_data.mbrs.nMembers;
166  
167 +  the_event->evt.mbrs.memberList = (int *) calloc(the_node->the_data.mbrs.nMembers,
168 +                                                  sizeof(int));
169 +
170 +  for (i = 0; i < the_node->the_data.mbrs.nMembers; i++) {
171 +    the_event->evt.mbrs.memberList[i] = the_node->the_data.mbrs.memberList[i];
172 +  }
173 +  
174    if( !event_handler( the_event ) ) interface_error( the_event );
175   #ifdef IS_MPI
176    throwMPIEvent(the_event);
177   #endif
178    
179 +  free( the_event->evt.mbrs.memberList );
180    free( the_event );
181   }
182  
# Line 239 | Line 263 | void init_orientation( struct node_tag* the_node,
263    
264    the_event->event_type = ORIENTATION;
265    the_event->err_msg = NULL;
266 <  the_event->evt.ornt.x = the_node->the_data.ort.x;
267 <  the_event->evt.ornt.y = the_node->the_data.ort.y;
268 <  the_event->evt.ornt.z = the_node->the_data.ort.z;
266 >  the_event->evt.ornt.phi   = the_node->the_data.ort.phi;
267 >  the_event->evt.ornt.theta = the_node->the_data.ort.theta;
268 >  the_event->evt.ornt.psi   = the_node->the_data.ort.psi;
269  
270    if( !event_handler( the_event ) ) interface_error( the_event );
271   #ifdef IS_MPI

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