OOPSE/libBASS/interface.c

#include <stdio.h>
#include <stdlib.h>
#include <string.h>

#include "parse_interface.h"
#include "BASS_interface.h"
#include "simError.h"
#ifdef IS_MPI
#include "mpiBASS.h"
#endif

void interface_error( event* the_event );

void init_component( int comp_index ){
  event* the_event;

  the_event = (event* )malloc( sizeof( event ) );
  
  the_event->event_type = COMPONENT;
  the_event->err_msg = NULL;
  the_event->evt.blk_index = comp_index;

  if( !event_handler( the_event ) ) interface_error( the_event );
#ifdef IS_MPI
  throwMPIEvent(the_event);
#endif

  free( the_event );  
}

void init_molecule( int mol_index ){
  event* the_event;

  the_event = (event* )malloc( sizeof( event ) );
  
  the_event->event_type = MOLECULE;
  the_event->err_msg = NULL;
  the_event->evt.blk_index = mol_index;

  if( !event_handler( the_event ) ) interface_error( the_event );
#ifdef IS_MPI
  throwMPIEvent(the_event);
#endif
  
  free( the_event );  
}

void init_rigidbody( int rigidbody_index ){
  event* the_event;

  the_event = (event* )malloc( sizeof( event ) );
  
  the_event->event_type = RIGIDBODY;
  the_event->err_msg = NULL;
  the_event->evt.blk_index = rigidbody_index;

  if( !event_handler( the_event ) ) interface_error( the_event );
#ifdef IS_MPI
  throwMPIEvent(the_event);
#endif
  
  free( the_event );  
}

void init_cutoffgroup( int cutoffgroup_index ){
  event* the_event;

  the_event = (event* )malloc( sizeof( event ) );
  
  the_event->event_type = CUTOFFGROUP;
  the_event->err_msg = NULL;
  the_event->evt.blk_index = cutoffgroup_index;

  if( !event_handler( the_event ) ) interface_error( the_event );
#ifdef IS_MPI
  throwMPIEvent(the_event);
#endif
  
  free( the_event );  
}

void init_atom( int atom_index ){
  event* the_event;
  
  the_event = (event* )malloc( sizeof( event ) );
  
  the_event->event_type = ATOM;
  the_event->err_msg = NULL;
  the_event->evt.blk_index = atom_index;

  if( !event_handler( the_event ) ) interface_error( the_event );
#ifdef IS_MPI
  throwMPIEvent(the_event);
#endif
  
  free( the_event );
}

void init_bond( int bond_index ){
  event* the_event;

  the_event = (event* )malloc( sizeof( event ) );
  
  the_event->event_type = BOND;
  the_event->err_msg = NULL;
  the_event->evt.blk_index = bond_index;

  if( !event_handler( the_event ) ) interface_error( the_event );
#ifdef IS_MPI
  throwMPIEvent(the_event);
#endif
  
  free( the_event );
}

void init_bend( int bend_index ){
  event* the_event;

  the_event = (event* )malloc( sizeof( event ) );
  
  the_event->event_type = BEND;
  the_event->err_msg = NULL;
  the_event->evt.blk_index = bend_index;

  if( !event_handler( the_event ) ) interface_error( the_event );
#ifdef IS_MPI
  throwMPIEvent(the_event);
#endif
  
  free( the_event );
}

void init_torsion( int torsion_index ){
  event* the_event;

  the_event = (event* )malloc( sizeof( event ) );
  
  the_event->event_type = TORSION;
  the_event->err_msg = NULL;
  the_event->evt.blk_index = torsion_index;

  if( !event_handler( the_event ) ) interface_error( the_event );
#ifdef IS_MPI
  throwMPIEvent(the_event);
#endif
  
  free( the_event );
}

void init_zconstraint( int zconstraint_index ){
  event* the_event;

  the_event = (event* )malloc( sizeof( event ) );
  
  the_event->event_type = ZCONSTRAINT;
  the_event->err_msg = NULL;
  the_event->evt.blk_index = zconstraint_index;

  if( !event_handler( the_event ) ) interface_error( the_event );
#ifdef IS_MPI
  throwMPIEvent(the_event);
#endif
  
  free( the_event );
}


/*
 * the next few deal with the statement initializations 
 */

void init_members( struct node_tag* the_node, 
                   struct namespc the_namespc ){
  event* the_event;
  int i;

  the_event = (event* )malloc( sizeof( event ) );
  
  the_event->event_type = MEMBERS;
  the_event->err_msg = NULL;

  the_event->evt.mbrs.nMembers = the_node->the_data.mbrs.nMembers;

  the_event->evt.mbrs.memberList = (int *) calloc(the_node->the_data.mbrs.nMembers, 
                                                  sizeof(int));

  for (i = 0; i < the_node->the_data.mbrs.nMembers; i++) {
    the_event->evt.mbrs.memberList[i] = the_node->the_data.mbrs.memberList[i];
  }
  
  if( !event_handler( the_event ) ) interface_error( the_event );
#ifdef IS_MPI
  throwMPIEvent(the_event);
#endif
  
  free( the_event->evt.mbrs.memberList );
  free( the_event );
}

void init_constraint( struct node_tag* the_node, 
                      struct namespc the_namespc ){
  event* the_event;

  the_event = (event* )malloc( sizeof( event ) );
  
  the_event->event_type = CONSTRAINT;
  the_event->err_msg = NULL;
  the_event->evt.cnstr = the_node->the_data.cnstr.constraint_val;

  if( !event_handler( the_event ) ) interface_error( the_event );
#ifdef IS_MPI
  throwMPIEvent(the_event);
#endif
  
  free( the_event );
}

void init_assignment( struct node_tag* the_node, 
                      struct namespc the_namespc ){
  event* the_event;

  the_event = (event* )malloc( sizeof( event ) );
  
  the_event->event_type = ASSIGNMENT;
  the_event->err_msg = NULL;

  strcpy( the_event->evt.asmt.lhs, the_node->the_data.asmt.identifier );
  switch( the_node->the_data.asmt.type ){
    
  case STR_ASSN:
    the_event->evt.asmt.asmt_type = STRING;
    strcpy( the_event->evt.asmt.rhs.sval,
            the_node->the_data.asmt.rhs.str_ptr );
    break;

  case INT_ASSN:
    the_event->evt.asmt.asmt_type = INT;
    the_event->evt.asmt.rhs.ival = the_node->the_data.asmt.rhs.i_val;
    break;

  case DOUBLE_ASSN:
    the_event->evt.asmt.asmt_type = DOUBLE;
    the_event->evt.asmt.rhs.dval = the_node->the_data.asmt.rhs.d_val;
    break;
  }

  if( !event_handler( the_event ) ) interface_error( the_event );
#ifdef IS_MPI
  throwMPIEvent(the_event);
#endif
  
  free( the_event );
}

void init_position( struct node_tag* the_node, 
                    struct namespc the_namespc ){
  event* the_event;

  the_event = (event* )malloc( sizeof( event ) );
  
  the_event->event_type = POSITION;
  the_event->err_msg = NULL;
  the_event->evt.pos.x = the_node->the_data.pos.x;
  the_event->evt.pos.y = the_node->the_data.pos.y;
  the_event->evt.pos.z = the_node->the_data.pos.z;

  if( !event_handler( the_event ) ) interface_error( the_event );
#ifdef IS_MPI
  throwMPIEvent(the_event);
#endif
  
  free( the_event );
}

void init_orientation( struct node_tag* the_node, 
                       struct namespc the_namespc ){
  event* the_event;

  the_event = (event* )malloc( sizeof( event ) );
  
  the_event->event_type = ORIENTATION;
  the_event->err_msg = NULL;
  the_event->evt.ornt.phi   = the_node->the_data.ort.phi;
  the_event->evt.ornt.theta = the_node->the_data.ort.theta;
  the_event->evt.ornt.psi   = the_node->the_data.ort.psi;

  if( !event_handler( the_event ) ) interface_error( the_event );
#ifdef IS_MPI
  throwMPIEvent(the_event);
#endif
  
  free( the_event );
}


void end_of_block( void ){
  event* the_event;
  
  the_event = (event* )malloc( sizeof( event ) );
  
  the_event->event_type = BLOCK_END;
  the_event->err_msg = NULL;

  if( !event_handler( the_event ) ) interface_error( the_event );
#ifdef IS_MPI
  throwMPIEvent(the_event);
#endif
  
  free( the_event );
}

void interface_error( event* the_event ){

  sprintf( painCave.errMsg,
           "**Interface event error**\n"
           "%s\n",
           the_event->err_msg );
  painCave.isFatal = 1;
  simError();
#ifdef IS_MPI
  mpiInterfaceExit();
#endif //IS_MPI
}
Revision:	1153
Committed:	Tue May 11 04:21:52 2004 UTC (21 years, 5 months ago) by gezelter
Content type:	text/plain
File size:	7354 byte(s)
Log Message:	BASS changes for adding CutoffGroups to molecules. Also restructured the plethora of cutoff radii into one cutoffRadius and one switchingRadius. Also removed the useMolecularCutoffs keyword
#	User	Rev	Content
1	mmeineke	377	#include <stdio.h>
2			#include <stdlib.h>
3			#include <string.h>
4
5	mmeineke	854	#include "parse_interface.h"
6			#include "BASS_interface.h"
7			#include "simError.h"
8	mmeineke	377	#ifdef IS_MPI
9	mmeineke	854	#include "mpiBASS.h"
10	mmeineke	377	#endif
11
12			void interface_error( event* the_event );
13
14			void init_component( int comp_index ){
15			event* the_event;
16
17			the_event = (event* )malloc( sizeof( event ) );
18
19			the_event->event_type = COMPONENT;
20			the_event->err_msg = NULL;
21			the_event->evt.blk_index = comp_index;
22
23			if( !event_handler( the_event ) ) interface_error( the_event );
24			#ifdef IS_MPI
25			throwMPIEvent(the_event);
26			#endif
27
28			free( the_event );
29			}
30
31			void init_molecule( int mol_index ){
32			event* the_event;
33
34			the_event = (event* )malloc( sizeof( event ) );
35
36			the_event->event_type = MOLECULE;
37			the_event->err_msg = NULL;
38			the_event->evt.blk_index = mol_index;
39
40			if( !event_handler( the_event ) ) interface_error( the_event );
41			#ifdef IS_MPI
42			throwMPIEvent(the_event);
43			#endif
44
45			free( the_event );
46			}
47
48	gezelter	957	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	gezelter	1153	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	mmeineke	377	void init_atom( int atom_index ){
83			event* the_event;
84
85			the_event = (event* )malloc( sizeof( event ) );
86
87			the_event->event_type = ATOM;
88			the_event->err_msg = NULL;
89			the_event->evt.blk_index = atom_index;
90
91			if( !event_handler( the_event ) ) interface_error( the_event );
92			#ifdef IS_MPI
93			throwMPIEvent(the_event);
94			#endif
95
96			free( the_event );
97			}
98
99			void init_bond( int bond_index ){
100			event* the_event;
101
102			the_event = (event* )malloc( sizeof( event ) );
103
104			the_event->event_type = BOND;
105			the_event->err_msg = NULL;
106			the_event->evt.blk_index = bond_index;
107
108			if( !event_handler( the_event ) ) interface_error( the_event );
109			#ifdef IS_MPI
110			throwMPIEvent(the_event);
111			#endif
112
113			free( the_event );
114			}
115
116			void init_bend( int bend_index ){
117			event* the_event;
118
119			the_event = (event* )malloc( sizeof( event ) );
120
121			the_event->event_type = BEND;
122			the_event->err_msg = NULL;
123			the_event->evt.blk_index = bend_index;
124
125			if( !event_handler( the_event ) ) interface_error( the_event );
126			#ifdef IS_MPI
127			throwMPIEvent(the_event);
128			#endif
129
130			free( the_event );
131			}
132
133			void init_torsion( int torsion_index ){
134			event* the_event;
135
136			the_event = (event* )malloc( sizeof( event ) );
137
138			the_event->event_type = TORSION;
139			the_event->err_msg = NULL;
140			the_event->evt.blk_index = torsion_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	mmeineke	675	void init_zconstraint( int zconstraint_index ){
151			event* the_event;
152	mmeineke	377
153	mmeineke	675	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	mmeineke	377	/*
169			* the next few deal with the statement initializations
170			*/
171
172			void init_members( struct node_tag* the_node,
173			struct namespc the_namespc ){
174			event* the_event;
175	gezelter	998	int i;
176	mmeineke	377
177			the_event = (event* )malloc( sizeof( event ) );
178
179	gezelter	988	the_event->event_type = MEMBERS;
180	mmeineke	377	the_event->err_msg = NULL;
181
182	gezelter	998	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	mmeineke	377	if( !event_handler( the_event ) ) interface_error( the_event );
192			#ifdef IS_MPI
193			throwMPIEvent(the_event);
194			#endif
195
196	gezelter	998	free( the_event->evt.mbrs.memberList );
197	mmeineke	377	free( the_event );
198			}
199
200			void init_constraint( struct node_tag* the_node,
201			struct namespc the_namespc ){
202			event* the_event;
203
204			the_event = (event* )malloc( sizeof( event ) );
205
206			the_event->event_type = CONSTRAINT;
207			the_event->err_msg = NULL;
208			the_event->evt.cnstr = the_node->the_data.cnstr.constraint_val;
209
210			if( !event_handler( the_event ) ) interface_error( the_event );
211			#ifdef IS_MPI
212			throwMPIEvent(the_event);
213			#endif
214
215			free( the_event );
216			}
217
218			void init_assignment( struct node_tag* the_node,
219			struct namespc the_namespc ){
220			event* the_event;
221
222			the_event = (event* )malloc( sizeof( event ) );
223
224			the_event->event_type = ASSIGNMENT;
225			the_event->err_msg = NULL;
226
227			strcpy( the_event->evt.asmt.lhs, the_node->the_data.asmt.identifier );
228			switch( the_node->the_data.asmt.type ){
229
230			case STR_ASSN:
231			the_event->evt.asmt.asmt_type = STRING;
232			strcpy( the_event->evt.asmt.rhs.sval,
233			the_node->the_data.asmt.rhs.str_ptr );
234			break;
235
236			case INT_ASSN:
237			the_event->evt.asmt.asmt_type = INT;
238			the_event->evt.asmt.rhs.ival = the_node->the_data.asmt.rhs.i_val;
239			break;
240
241			case DOUBLE_ASSN:
242			the_event->evt.asmt.asmt_type = DOUBLE;
243			the_event->evt.asmt.rhs.dval = the_node->the_data.asmt.rhs.d_val;
244			break;
245			}
246
247			if( !event_handler( the_event ) ) interface_error( the_event );
248			#ifdef IS_MPI
249			throwMPIEvent(the_event);
250			#endif
251
252			free( the_event );
253			}
254
255			void init_position( struct node_tag* the_node,
256			struct namespc the_namespc ){
257			event* the_event;
258
259			the_event = (event* )malloc( sizeof( event ) );
260
261			the_event->event_type = POSITION;
262			the_event->err_msg = NULL;
263			the_event->evt.pos.x = the_node->the_data.pos.x;
264			the_event->evt.pos.y = the_node->the_data.pos.y;
265			the_event->evt.pos.z = the_node->the_data.pos.z;
266
267			if( !event_handler( the_event ) ) interface_error( the_event );
268			#ifdef IS_MPI
269			throwMPIEvent(the_event);
270			#endif
271
272			free( the_event );
273			}
274
275			void init_orientation( struct node_tag* the_node,
276			struct namespc the_namespc ){
277			event* the_event;
278
279			the_event = (event* )malloc( sizeof( event ) );
280
281			the_event->event_type = ORIENTATION;
282			the_event->err_msg = NULL;
283	gezelter	998	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	mmeineke	377
287			if( !event_handler( the_event ) ) interface_error( the_event );
288			#ifdef IS_MPI
289			throwMPIEvent(the_event);
290			#endif
291
292			free( the_event );
293			}
294
295
296			void end_of_block( void ){
297			event* the_event;
298
299			the_event = (event* )malloc( sizeof( event ) );
300
301			the_event->event_type = BLOCK_END;
302			the_event->err_msg = NULL;
303
304			if( !event_handler( the_event ) ) interface_error( the_event );
305			#ifdef IS_MPI
306			throwMPIEvent(the_event);
307			#endif
308
309			free( the_event );
310			}
311
312			void interface_error( event* the_event ){
313
314			sprintf( painCave.errMsg,
315			"Interface event error\n"
316			"%s\n",
317			the_event->err_msg );
318			painCave.isFatal = 1;
319			simError();
320			#ifdef IS_MPI
321			mpiInterfaceExit();
322			#endif //IS_MPI
323			}