OOPSE/libBASS/make_nodes.c

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

#include "node_list.h"
#include "make_nodes.h"
#include "simError.h"

/*
  walks to to the top of a stmt_list. Needed when assigning the
  statment list to a block of code.
*/

struct node_tag* walk_to_top( struct node_tag* walk_me ){

  while( walk_me->prev_stmt != NULL ){
    walk_me = walk_me->prev_stmt;
  }
  return walk_me;
}

/*
  the next three functions are for creating and initializing the
  assignment statements.
*/

struct node_tag* assign_i( char* lhs, int rhs ){

  struct node_tag* the_node;
  the_node = ( struct node_tag* )malloc( sizeof( node ) );
  
  the_node->type = ASSIGNMENT_STMT;
  the_node->index = 0;
  the_node->next_stmt = NULL;
  the_node->prev_stmt = NULL;
  the_node->stmt_list = NULL;
  
  the_node->the_data.asmt.type = INT_ASSN;
  the_node->the_data.asmt.identifier = lhs;
  the_node->the_data.asmt.rhs.i_val = rhs;

  return the_node;
}

struct node_tag* assign_d( char* lhs, double rhs ){

  struct node_tag* the_node;
  the_node = ( struct node_tag* )malloc( sizeof( node ) );
  
  the_node->type = ASSIGNMENT_STMT;
  the_node->index = 0;
  the_node->next_stmt = NULL;
  the_node->prev_stmt = NULL;
  the_node->stmt_list = NULL;
  
  the_node->the_data.asmt.type = DOUBLE_ASSN;
  the_node->the_data.asmt.identifier = lhs;
  the_node->the_data.asmt.rhs.d_val = rhs;

  return the_node;
}

struct node_tag* assign_s( char* lhs, char* rhs ){

  struct node_tag* the_node;
  the_node = ( struct node_tag* )malloc( sizeof( node ) );
  
  the_node->type = ASSIGNMENT_STMT;
  the_node->index = 0;
  the_node->next_stmt = NULL;
  the_node->prev_stmt = NULL;
  the_node->stmt_list = NULL;
  
  the_node->the_data.asmt.type = STR_ASSN;
  the_node->the_data.asmt.identifier = lhs;
  the_node->the_data.asmt.rhs.str_ptr = rhs;

  return the_node;
}

/*
  The next function deals with creating and initializing of the
  members statements used by the bonds, bends, torsions, rigid bodies, 
  and cutoff groups.
*/

struct node_tag* members( char* list_str ){

  struct node_tag* the_node;
  the_node = ( struct node_tag* )malloc( sizeof( node ) );
  
  the_node->type = MEMBERS_STMT;
  the_node->index = 0;
  the_node->next_stmt = NULL;
  the_node->prev_stmt = NULL;
  the_node->stmt_list = NULL;
  
  int nTokens, i;
  char *foo;

  nTokens = count_tokens(list_str, " ,;\t");

  if (nTokens < 1) {
    yyerror("can't find any members in this members statement");
  }

  the_node->the_data.mbrs.nMembers = nTokens;

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

  foo = strtok(list_str, " ,;\t");
  the_node->the_data.mbrs.memberList[0] = atoi( foo );

  for (i = 1; i < nTokens; i++) {
    foo = strtok(NULL, " ,;\t");
    the_node->the_data.mbrs.memberList[i] = atoi( foo );
  }

  return the_node;
}

/*
  This function does the C & I of the constraint statements
*/

struct node_tag* constraint( char* list_str ){

  struct node_tag* the_node;
  the_node = ( struct node_tag* )malloc( sizeof( node ) );
  
  the_node->type = CONSTRAINT_STMT;
  the_node->index = 0;
  the_node->next_stmt = NULL;
  the_node->prev_stmt = NULL;
  the_node->stmt_list = NULL;
  
  int nTokens;
  char *foo;

  nTokens = count_tokens(list_str, " ,;\t");
  if (nTokens != 1) {
    yyerror("wrong number of arguments given in constraint statement");
  }
      
  foo = strtok(list_str, " ,;\t");
  the_node->the_data.cnstr.constraint_val = atof( foo );

  return the_node;
}

/*
  This function does the C & I for the orientation statements
*/

struct node_tag* orientation( char* list_str ){

  struct node_tag* the_node;
  the_node = ( struct node_tag* )malloc( sizeof( node ) );
  
  the_node->type = ORIENTATION_STMT;
  the_node->index = 0;
  the_node->next_stmt = NULL;
  the_node->prev_stmt = NULL;
  the_node->stmt_list = NULL;
 
  int nTokens;
  char *foo;

  nTokens = count_tokens(list_str, " ,;\t");
  if (nTokens != 3) {
    yyerror("wrong number of arguments given in orientation");
  }
      
  foo = strtok(list_str, " ,;\t");
  the_node->the_data.ort.phi = atof( foo );

  foo = strtok(NULL, " ,;\t");
  the_node->the_data.ort.theta = atof( foo );

  foo = strtok(NULL, " ,;\t");
  the_node->the_data.ort.psi = atof( foo );

  return the_node;
}

/*
  This function does the C & I for the position statements
*/

struct node_tag* position( char* list_str ){

  struct node_tag* the_node;
  the_node = ( struct node_tag* )malloc( sizeof( node ) );
  
  the_node->type = POSITION_STMT;
  the_node->index = 0;
  the_node->next_stmt = NULL;
  the_node->prev_stmt = NULL;
  the_node->stmt_list = NULL;

  int nTokens;
  char *foo;

  nTokens = count_tokens(list_str, " ,;\t");
  if (nTokens != 3) {
    yyerror("wrong number of arguments given in position");
  }
      
  foo = strtok(list_str, " ,;\t");
  the_node->the_data.pos.x = atof( foo );

  foo = strtok(NULL, " ,;\t");
  the_node->the_data.pos.y = atof( foo );

  foo = strtok(NULL, " ,;\t");
  the_node->the_data.pos.z = atof( foo );

  
  return the_node;
}

/*
  The following six functions initialize the statement nodes
  coresponding to the different code block types.
*/

struct node_tag* molecule_blk( struct node_tag* stmt_list ){
  
  struct node_tag* the_node;
  the_node = ( struct node_tag* )malloc( sizeof( node ) );
  
  the_node->type = MOLECULE_HEAD;
  the_node->index = 0;
  the_node->next_stmt = NULL;
  the_node->prev_stmt = NULL;
  the_node->stmt_list = walk_to_top( stmt_list );
    
  return the_node;
}

struct node_tag* rigidbody_blk( int index, struct node_tag* stmt_list ){
  
  struct node_tag* the_node;
  the_node = ( struct node_tag* )malloc( sizeof( node ) );
  
  the_node->type = RIGIDBODY_HEAD;
  the_node->index = 0;
  the_node->next_stmt = NULL;
  the_node->prev_stmt = NULL;
  the_node->stmt_list = walk_to_top( stmt_list );
    
  return the_node;
}

struct node_tag* cutoffgroup_blk( int index, struct node_tag* stmt_list ){
  
  struct node_tag* the_node;
  the_node = ( struct node_tag* )malloc( sizeof( node ) );
  
  // The guillotine statement:
  the_node->type = CUTOFFGROUP_HEAD;
  the_node->index = 0;
  the_node->next_stmt = NULL;
  the_node->prev_stmt = NULL;
  the_node->stmt_list = walk_to_top( stmt_list );
    
  return the_node;
}

struct node_tag* atom_blk( int index, struct node_tag* stmt_list ){
  
  struct node_tag* the_node;
  the_node = ( struct node_tag* )malloc( sizeof( node ) );
  
  the_node->type = ATOM_HEAD;
  the_node->index = index;
  the_node->next_stmt = NULL;
  the_node->prev_stmt = NULL;
  the_node->stmt_list = walk_to_top( stmt_list );
    
  return the_node;
}

struct node_tag* bond_blk( int index, struct node_tag* stmt_list ){
  
  struct node_tag* the_node;
  the_node = ( struct node_tag* )malloc( sizeof( node ) );
  
  the_node->type = BOND_HEAD;
  the_node->index = index;
  the_node->next_stmt = NULL;
  the_node->prev_stmt = NULL;
  the_node->stmt_list = walk_to_top( stmt_list );
    
  return the_node;
}
 
struct node_tag* bend_blk( int index, struct node_tag* stmt_list ){
  
  struct node_tag* the_node;
  the_node = ( struct node_tag* )malloc( sizeof( node ) );
  
  the_node->type = BEND_HEAD;
  the_node->index = index;
  the_node->next_stmt = NULL;
  the_node->prev_stmt = NULL;
  the_node->stmt_list = walk_to_top( stmt_list );
    
  return the_node;
}

struct node_tag* torsion_blk( int index, struct node_tag* stmt_list ){
  
  struct node_tag* the_node;
  the_node = ( struct node_tag* )malloc( sizeof( node ) );
  
  the_node->type = TORSION_HEAD;
  the_node->index = index;
  the_node->next_stmt = NULL;
  the_node->prev_stmt = NULL;
  the_node->stmt_list = walk_to_top( stmt_list );
    
  return the_node;
}

struct node_tag* zconstraint_blk( int index, struct node_tag* stmt_list ){
  
  struct node_tag* the_node;
  the_node = ( struct node_tag* )malloc( sizeof( node ) );
  
  the_node->type = ZCONSTRAINT_HEAD;
  the_node->index = index;
  the_node->next_stmt = NULL;
  the_node->prev_stmt = NULL;
  the_node->stmt_list = walk_to_top( stmt_list );
    
  return the_node;
} 
 
struct node_tag* component_blk( struct node_tag* stmt_list ){
  
  struct node_tag* the_node;
  the_node = ( struct node_tag* )malloc( sizeof( node ) );
  
  the_node->type = COMPONENT_HEAD;
  the_node->index = 0;
  the_node->next_stmt = NULL;
  the_node->prev_stmt = NULL;
  the_node->stmt_list = walk_to_top( stmt_list );
  
  return the_node;
}


int count_tokens(char *line, char *delimiters) {
/* PURPOSE: RETURN A COUNT OF THE NUMBER OF TOKENS ON THE LINE. */

  char *working_line;   /* WORKING COPY OF LINE. */
  int ntokens;          /* NUMBER OF TOKENS FOUND IN LINE. */
  char *strtok_ptr;     /* POINTER FOR STRTOK. */
  
  strtok_ptr= working_line= strdup(line);
  
  ntokens=0;
  while (strtok(strtok_ptr,delimiters)!=NULL)
    {
      ntokens++;
      strtok_ptr=NULL;
    }
  
  free(working_line);
  return(ntokens);
}
Revision:	1153
Committed:	Tue May 11 04:21:52 2004 UTC (21 years, 5 months ago) by gezelter
Content type:	text/plain
File size:	8897 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
#	Content
1	#include <stdio.h>
2	#include <stdlib.h>
3	#include <string.h>
4
5	#include "node_list.h"
6	#include "make_nodes.h"
7	#include "simError.h"
8
9	/*
10	walks to to the top of a stmt_list. Needed when assigning the
11	statment list to a block of code.
12	*/
13
14	struct node_tag* walk_to_top( struct node_tag* walk_me ){
15
16	while( walk_me->prev_stmt != NULL ){
17	walk_me = walk_me->prev_stmt;
18	}
19	return walk_me;
20	}
21
22	/*
23	the next three functions are for creating and initializing the
24	assignment statements.
25	*/
26
27	struct node_tag* assign_i( char* lhs, int rhs ){
28
29	struct node_tag* the_node;
30	the_node = ( struct node_tag* )malloc( sizeof( node ) );
31
32	the_node->type = ASSIGNMENT_STMT;
33	the_node->index = 0;
34	the_node->next_stmt = NULL;
35	the_node->prev_stmt = NULL;
36	the_node->stmt_list = NULL;
37
38	the_node->the_data.asmt.type = INT_ASSN;
39	the_node->the_data.asmt.identifier = lhs;
40	the_node->the_data.asmt.rhs.i_val = rhs;
41
42	return the_node;
43	}
44
45	struct node_tag* assign_d( char* lhs, double rhs ){
46
47	struct node_tag* the_node;
48	the_node = ( struct node_tag* )malloc( sizeof( node ) );
49
50	the_node->type = ASSIGNMENT_STMT;
51	the_node->index = 0;
52	the_node->next_stmt = NULL;
53	the_node->prev_stmt = NULL;
54	the_node->stmt_list = NULL;
55
56	the_node->the_data.asmt.type = DOUBLE_ASSN;
57	the_node->the_data.asmt.identifier = lhs;
58	the_node->the_data.asmt.rhs.d_val = rhs;
59
60	return the_node;
61	}
62
63	struct node_tag* assign_s( char* lhs, char* rhs ){
64
65	struct node_tag* the_node;
66	the_node = ( struct node_tag* )malloc( sizeof( node ) );
67
68	the_node->type = ASSIGNMENT_STMT;
69	the_node->index = 0;
70	the_node->next_stmt = NULL;
71	the_node->prev_stmt = NULL;
72	the_node->stmt_list = NULL;
73
74	the_node->the_data.asmt.type = STR_ASSN;
75	the_node->the_data.asmt.identifier = lhs;
76	the_node->the_data.asmt.rhs.str_ptr = rhs;
77
78	return the_node;
79	}
80
81	/*
82	The next function deals with creating and initializing of the
83	members statements used by the bonds, bends, torsions, rigid bodies,
84	and cutoff groups.
85	*/
86
87	struct node_tag* members( char* list_str ){
88
89	struct node_tag* the_node;
90	the_node = ( struct node_tag* )malloc( sizeof( node ) );
91
92	the_node->type = MEMBERS_STMT;
93	the_node->index = 0;
94	the_node->next_stmt = NULL;
95	the_node->prev_stmt = NULL;
96	the_node->stmt_list = NULL;
97
98	int nTokens, i;
99	char *foo;
100
101	nTokens = count_tokens(list_str, " ,;\t");
102
103	if (nTokens < 1) {
104	yyerror("can't find any members in this members statement");
105	}
106
107	the_node->the_data.mbrs.nMembers = nTokens;
108
109	the_node->the_data.mbrs.memberList = (int *) calloc(nTokens, sizeof(int));
110
111	foo = strtok(list_str, " ,;\t");
112	the_node->the_data.mbrs.memberList[0] = atoi( foo );
113
114	for (i = 1; i < nTokens; i++) {
115	foo = strtok(NULL, " ,;\t");
116	the_node->the_data.mbrs.memberList[i] = atoi( foo );
117	}
118
119	return the_node;
120	}
121
122	/*
123	This function does the C & I of the constraint statements
124	*/
125
126	struct node_tag* constraint( char* list_str ){
127
128	struct node_tag* the_node;
129	the_node = ( struct node_tag* )malloc( sizeof( node ) );
130
131	the_node->type = CONSTRAINT_STMT;
132	the_node->index = 0;
133	the_node->next_stmt = NULL;
134	the_node->prev_stmt = NULL;
135	the_node->stmt_list = NULL;
136
137	int nTokens;
138	char *foo;
139
140	nTokens = count_tokens(list_str, " ,;\t");
141	if (nTokens != 1) {
142	yyerror("wrong number of arguments given in constraint statement");
143	}
144
145	foo = strtok(list_str, " ,;\t");
146	the_node->the_data.cnstr.constraint_val = atof( foo );
147
148	return the_node;
149	}
150
151	/*
152	This function does the C & I for the orientation statements
153	*/
154
155	struct node_tag* orientation( char* list_str ){
156
157	struct node_tag* the_node;
158	the_node = ( struct node_tag* )malloc( sizeof( node ) );
159
160	the_node->type = ORIENTATION_STMT;
161	the_node->index = 0;
162	the_node->next_stmt = NULL;
163	the_node->prev_stmt = NULL;
164	the_node->stmt_list = NULL;
165
166	int nTokens;
167	char *foo;
168
169	nTokens = count_tokens(list_str, " ,;\t");
170	if (nTokens != 3) {
171	yyerror("wrong number of arguments given in orientation");
172	}
173
174	foo = strtok(list_str, " ,;\t");
175	the_node->the_data.ort.phi = atof( foo );
176
177	foo = strtok(NULL, " ,;\t");
178	the_node->the_data.ort.theta = atof( foo );
179
180	foo = strtok(NULL, " ,;\t");
181	the_node->the_data.ort.psi = atof( foo );
182
183	return the_node;
184	}
185
186	/*
187	This function does the C & I for the position statements
188	*/
189
190	struct node_tag* position( char* list_str ){
191
192	struct node_tag* the_node;
193	the_node = ( struct node_tag* )malloc( sizeof( node ) );
194
195	the_node->type = POSITION_STMT;
196	the_node->index = 0;
197	the_node->next_stmt = NULL;
198	the_node->prev_stmt = NULL;
199	the_node->stmt_list = NULL;
200
201	int nTokens;
202	char *foo;
203
204	nTokens = count_tokens(list_str, " ,;\t");
205	if (nTokens != 3) {
206	yyerror("wrong number of arguments given in position");
207	}
208
209	foo = strtok(list_str, " ,;\t");
210	the_node->the_data.pos.x = atof( foo );
211
212	foo = strtok(NULL, " ,;\t");
213	the_node->the_data.pos.y = atof( foo );
214
215	foo = strtok(NULL, " ,;\t");
216	the_node->the_data.pos.z = atof( foo );
217
218
219	return the_node;
220	}
221
222	/*
223	The following six functions initialize the statement nodes
224	coresponding to the different code block types.
225	*/
226
227	struct node_tag* molecule_blk( struct node_tag* stmt_list ){
228
229	struct node_tag* the_node;
230	the_node = ( struct node_tag* )malloc( sizeof( node ) );
231
232	the_node->type = MOLECULE_HEAD;
233	the_node->index = 0;
234	the_node->next_stmt = NULL;
235	the_node->prev_stmt = NULL;
236	the_node->stmt_list = walk_to_top( stmt_list );
237
238	return the_node;
239	}
240
241	struct node_tag* rigidbody_blk( int index, struct node_tag* stmt_list ){
242
243	struct node_tag* the_node;
244	the_node = ( struct node_tag* )malloc( sizeof( node ) );
245
246	the_node->type = RIGIDBODY_HEAD;
247	the_node->index = 0;
248	the_node->next_stmt = NULL;
249	the_node->prev_stmt = NULL;
250	the_node->stmt_list = walk_to_top( stmt_list );
251
252	return the_node;
253	}
254
255	struct node_tag* cutoffgroup_blk( int index, struct node_tag* stmt_list ){
256
257	struct node_tag* the_node;
258	the_node = ( struct node_tag* )malloc( sizeof( node ) );
259
260	// The guillotine statement:
261	the_node->type = CUTOFFGROUP_HEAD;
262	the_node->index = 0;
263	the_node->next_stmt = NULL;
264	the_node->prev_stmt = NULL;
265	the_node->stmt_list = walk_to_top( stmt_list );
266
267	return the_node;
268	}
269
270	struct node_tag* atom_blk( int index, struct node_tag* stmt_list ){
271
272	struct node_tag* the_node;
273	the_node = ( struct node_tag* )malloc( sizeof( node ) );
274
275	the_node->type = ATOM_HEAD;
276	the_node->index = index;
277	the_node->next_stmt = NULL;
278	the_node->prev_stmt = NULL;
279	the_node->stmt_list = walk_to_top( stmt_list );
280
281	return the_node;
282	}
283
284	struct node_tag* bond_blk( int index, struct node_tag* stmt_list ){
285
286	struct node_tag* the_node;
287	the_node = ( struct node_tag* )malloc( sizeof( node ) );
288
289	the_node->type = BOND_HEAD;
290	the_node->index = index;
291	the_node->next_stmt = NULL;
292	the_node->prev_stmt = NULL;
293	the_node->stmt_list = walk_to_top( stmt_list );
294
295	return the_node;
296	}
297
298	struct node_tag* bend_blk( int index, struct node_tag* stmt_list ){
299
300	struct node_tag* the_node;
301	the_node = ( struct node_tag* )malloc( sizeof( node ) );
302
303	the_node->type = BEND_HEAD;
304	the_node->index = index;
305	the_node->next_stmt = NULL;
306	the_node->prev_stmt = NULL;
307	the_node->stmt_list = walk_to_top( stmt_list );
308
309	return the_node;
310	}
311
312	struct node_tag* torsion_blk( int index, struct node_tag* stmt_list ){
313
314	struct node_tag* the_node;
315	the_node = ( struct node_tag* )malloc( sizeof( node ) );
316
317	the_node->type = TORSION_HEAD;
318	the_node->index = index;
319	the_node->next_stmt = NULL;
320	the_node->prev_stmt = NULL;
321	the_node->stmt_list = walk_to_top( stmt_list );
322
323	return the_node;
324	}
325
326	struct node_tag* zconstraint_blk( int index, struct node_tag* stmt_list ){
327
328	struct node_tag* the_node;
329	the_node = ( struct node_tag* )malloc( sizeof( node ) );
330
331	the_node->type = ZCONSTRAINT_HEAD;
332	the_node->index = index;
333	the_node->next_stmt = NULL;
334	the_node->prev_stmt = NULL;
335	the_node->stmt_list = walk_to_top( stmt_list );
336
337	return the_node;
338	}
339
340	struct node_tag* component_blk( struct node_tag* stmt_list ){
341
342	struct node_tag* the_node;
343	the_node = ( struct node_tag* )malloc( sizeof( node ) );
344
345	the_node->type = COMPONENT_HEAD;
346	the_node->index = 0;
347	the_node->next_stmt = NULL;
348	the_node->prev_stmt = NULL;
349	the_node->stmt_list = walk_to_top( stmt_list );
350
351	return the_node;
352	}
353
354
355	int count_tokens(char line, char delimiters) {
356	/* PURPOSE: RETURN A COUNT OF THE NUMBER OF TOKENS ON THE LINE. */
357
358	char working_line; / WORKING COPY OF LINE. */
359	int ntokens; /* NUMBER OF TOKENS FOUND IN LINE. */
360	char strtok_ptr; / POINTER FOR STRTOK. */
361
362	strtok_ptr= working_line= strdup(line);
363
364	ntokens=0;
365	while (strtok(strtok_ptr,delimiters)!=NULL)
366	{
367	ntokens++;
368	strtok_ptr=NULL;
369	}
370
371	free(working_line);
372	return(ntokens);
373	}