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root/group/trunk/OOPSE/libBASS/make_nodes.c
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Comparing trunk/OOPSE/libBASS/make_nodes.c (file contents):
Revision 988 by gezelter, Tue Jan 27 19:37:48 2004 UTC vs.
Revision 998 by gezelter, Thu Jan 29 23:01:17 2004 UTC

# Line 79 | Line 79 | struct node_tag* assign_s( char* lhs, char* rhs ){
79   }
80  
81   /*
82 <  The next three functions deal with creating and initializing of the
83 <  members statements used by the bonds, bends, and torsions.
82 >  The next function deals with creating and initializing of the
83 >  members statements used by the bonds, bends, torsions, and rigid bodies.
84   */
85  
86 < struct node_tag* members_2( int a, int b ){
86 > struct node_tag* members( char* list_str ){
87  
88    struct node_tag* the_node;
89    the_node = ( struct node_tag* )malloc( sizeof( node ) );
# Line 94 | Line 94 | struct node_tag* members_2( int a, int b ){
94    the_node->prev_stmt = NULL;
95    the_node->stmt_list = NULL;
96    
97 <  the_node->the_data.mbrs.a = a;
98 <  the_node->the_data.mbrs.b = b;
99 <  the_node->the_data.mbrs.c = 0;
100 <  the_node->the_data.mbrs.d = 0;
97 >  int nTokens, i;
98 >  char *foo;
99  
100 <  return the_node;
103 < }
100 >  nTokens = count_tokens(list_str, " ,;\t");
101  
102 < struct node_tag* members_3( int a, int b, int c ){
102 >  if (nTokens < 1) {
103 >    yyerror("can't find any members in this members statement");
104 >  }
105  
106 <  struct node_tag* the_node;
108 <  the_node = ( struct node_tag* )malloc( sizeof( node ) );
109 <  
110 <  the_node->type = MEMBERS_STMT;
111 <  the_node->index = 0;
112 <  the_node->next_stmt = NULL;
113 <  the_node->prev_stmt = NULL;
114 <  the_node->stmt_list = NULL;
115 <  
116 <  the_node->the_data.mbrs.a = a;
117 <  the_node->the_data.mbrs.b = b;
118 <  the_node->the_data.mbrs.c = c;
119 <  the_node->the_data.mbrs.d = 0;
106 >  the_node->the_data.mbrs.nMembers = nTokens;
107  
108 <  return the_node;
122 < }
108 >  the_node->the_data.mbrs.memberList = (int *) calloc(nTokens, sizeof(int));
109  
110 < struct node_tag* members_4( int a, int b, int c, int d ){
110 >  foo = strtok(list_str, " ,;\t");
111 >  the_node->the_data.mbrs.memberList[0] = atoi( foo );
112  
113 <  struct node_tag* the_node;
114 <  the_node = ( struct node_tag* )malloc( sizeof( node ) );
115 <  
116 <  the_node->type = MEMBERS_STMT;
130 <  the_node->index = 0;
131 <  the_node->next_stmt = NULL;
132 <  the_node->prev_stmt = NULL;
133 <  the_node->stmt_list = NULL;
134 <  
135 <  the_node->the_data.mbrs.a = a;
136 <  the_node->the_data.mbrs.b = b;
137 <  the_node->the_data.mbrs.c = c;
138 <  the_node->the_data.mbrs.d = d;
113 >  for (i = 1; i < nTokens; i++) {
114 >    foo = strtok(NULL, " ,;\t");
115 >    the_node->the_data.mbrs.memberList[i] = atoi( foo );
116 >  }
117  
118    return the_node;
119   }
# Line 144 | Line 122 | struct node_tag* members_4( int a, int b, int c, int d
122    This function does the C & I of the constraint statements
123   */
124  
125 < struct node_tag* constraint( double constraint_val ){
125 > struct node_tag* constraint( char* list_str ){
126  
127    struct node_tag* the_node;
128    the_node = ( struct node_tag* )malloc( sizeof( node ) );
# Line 155 | Line 133 | struct node_tag* constraint( double constraint_val ){
133    the_node->prev_stmt = NULL;
134    the_node->stmt_list = NULL;
135    
136 <  the_node->the_data.cnstr.constraint_val = constraint_val;
136 >  int nTokens;
137 >  char *foo;
138  
139 +  nTokens = count_tokens(list_str, " ,;\t");
140 +  if (nTokens != 1) {
141 +    yyerror("wrong number of arguments given in constraint statement");
142 +  }
143 +      
144 +  foo = strtok(list_str, " ,;\t");
145 +  the_node->the_data.cnstr.constraint_val = atof( foo );
146 +
147    return the_node;
148   }
149  
# Line 164 | Line 151 | struct node_tag* constraint( double constraint_val ){
151    This function does the C & I for the orientation statements
152   */
153  
154 < struct node_tag* orientation( double x, double y, double z ){
154 > struct node_tag* orientation( char* list_str ){
155  
156    struct node_tag* the_node;
157    the_node = ( struct node_tag* )malloc( sizeof( node ) );
# Line 174 | Line 161 | struct node_tag* orientation( double x, double y, doub
161    the_node->next_stmt = NULL;
162    the_node->prev_stmt = NULL;
163    the_node->stmt_list = NULL;
164 <  
165 <  the_node->the_data.pos.x = x;
166 <  the_node->the_data.pos.y = y;
167 <  the_node->the_data.pos.z = z;
168 <  
164 >
165 >  int nTokens;
166 >  char *foo;
167 >
168 >  nTokens = count_tokens(list_str, " ,;\t");
169 >  if (nTokens != 3) {
170 >    yyerror("wrong number of arguments given in orientation");
171 >  }
172 >      
173 >  foo = strtok(list_str, " ,;\t");
174 >  the_node->the_data.ort.phi = atof( foo );
175 >
176 >  foo = strtok(NULL, " ,;\t");
177 >  the_node->the_data.ort.theta = atof( foo );
178 >
179 >  foo = strtok(NULL, " ,;\t");
180 >  the_node->the_data.ort.psi = atof( foo );
181 >
182    return the_node;
183   }
184  
# Line 186 | Line 186 | struct node_tag* orientation( double x, double y, doub
186    This function does the C & I for the position statements
187   */
188  
189 < struct node_tag* position( double x, double y, double z ){
189 > struct node_tag* position( char* list_str ){
190  
191    struct node_tag* the_node;
192    the_node = ( struct node_tag* )malloc( sizeof( node ) );
# Line 196 | Line 196 | struct node_tag* position( double x, double y, double
196    the_node->next_stmt = NULL;
197    the_node->prev_stmt = NULL;
198    the_node->stmt_list = NULL;
199 +
200 +  int nTokens;
201 +  char *foo;
202 +
203 +  nTokens = count_tokens(list_str, " ,;\t");
204 +  if (nTokens != 3) {
205 +    yyerror("wrong number of arguments given in position");
206 +  }
207 +      
208 +  foo = strtok(list_str, " ,;\t");
209 +  the_node->the_data.pos.x = atof( foo );
210 +
211 +  foo = strtok(NULL, " ,;\t");
212 +  the_node->the_data.pos.y = atof( foo );
213 +
214 +  foo = strtok(NULL, " ,;\t");
215 +  the_node->the_data.pos.z = atof( foo );
216 +
217    
200 –  the_node->the_data.pos.x = x;
201 –  the_node->the_data.pos.y = y;
202 –  the_node->the_data.pos.z = z;
203 –  
218    return the_node;
219   }
220  
# Line 293 | Line 307 | struct node_tag* torsion_blk( int index, struct node_t
307    return the_node;
308   }
309  
296 – struct node_tag* member_blk( int index, struct node_tag* stmt_list ){
297 –  
298 –  struct node_tag* the_node;
299 –  the_node = ( struct node_tag* )malloc( sizeof( node ) );
300 –  
301 –  the_node->type = MEMBER_HEAD;
302 –  the_node->index = index;
303 –  the_node->next_stmt = NULL;
304 –  the_node->prev_stmt = NULL;
305 –  the_node->stmt_list = walk_to_top( stmt_list );
306 –    
307 –  return the_node;
308 – }
309 –
310   struct node_tag* zconstraint_blk( int index, struct node_tag* stmt_list ){
311    
312    struct node_tag* the_node;
# Line 334 | Line 334 | struct node_tag* component_blk( struct node_tag* stmt_
334    
335    return the_node;
336   }
337 +
338 +
339 + int count_tokens(char *line, char *delimiters) {
340 + /* PURPOSE: RETURN A COUNT OF THE NUMBER OF TOKENS ON THE LINE. */
341 +
342 +  char *working_line;   /* WORKING COPY OF LINE. */
343 +  int ntokens;          /* NUMBER OF TOKENS FOUND IN LINE. */
344 +  char *strtok_ptr;     /* POINTER FOR STRTOK. */
345 +  
346 +  strtok_ptr= working_line= strdup(line);
347 +  
348 +  ntokens=0;
349 +  while (strtok(strtok_ptr,delimiters)!=NULL)
350 +    {
351 +      ntokens++;
352 +      strtok_ptr=NULL;
353 +    }
354 +  
355 +  free(working_line);
356 +  return(ntokens);
357 + }

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