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root/group/trunk/OOPSE/libBASS/interface.c
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Comparing:
branches/mmeineke/OOPSE/libBASS/interface.c (file contents), Revision 377 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
trunk/OOPSE/libBASS/interface.c (file contents), Revision 988 by gezelter, Tue Jan 27 19:37:48 2004 UTC

# Line 2 | Line 2
2   #include <stdlib.h>
3   #include <string.h>
4  
5 < #include <parse_interface.h>
6 < #include <BASS_interface.h>
7 < #include <simError.h>
5 > #include "parse_interface.h"
6 > #include "BASS_interface.h"
7 > #include "simError.h"
8   #ifdef IS_MPI
9 < #include <mpiBASS.h>
9 > #include "mpiBASS.h"
10   #endif
11  
12   void interface_error( event* the_event );
# 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 113 | Line 130 | void init_torsion( int torsion_index ){
130    free( the_event );
131   }
132  
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 +
153 +  the_event = (event* )malloc( sizeof( event ) );
154 +  
155 +  the_event->event_type = ZCONSTRAINT;
156 +  the_event->err_msg = NULL;
157 +  the_event->evt.blk_index = zconstraint_index;
158 +
159 +  if( !event_handler( the_event ) ) interface_error( the_event );
160 + #ifdef IS_MPI
161 +  throwMPIEvent(the_event);
162 + #endif
163 +  
164 +  free( the_event );
165 + }
166 +
167 +
168   /*
169   * the next few deal with the statement initializations
170   */
# Line 124 | Line 175 | void init_members( struct node_tag* the_node,
175  
176    the_event = (event* )malloc( sizeof( event ) );
177    
178 <  the_event->event_type = MEMBER;
178 >  the_event->event_type = MEMBERS;
179    the_event->err_msg = NULL;
180 <  the_event->evt.mbr.a = the_node->the_data.mbr.a;
181 <  the_event->evt.mbr.b = the_node->the_data.mbr.b;
182 <  the_event->evt.mbr.c = the_node->the_data.mbr.c;
183 <  the_event->evt.mbr.d = the_node->the_data.mbr.d;
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;
184  
185    if( !event_handler( the_event ) ) interface_error( the_event );
186   #ifdef IS_MPI

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