| 1 | mmeineke | 377 | #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 initialing 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 three functions deal with creating and initializing of the | 
| 83 |  |  | members statements used by the bonds, bends, and torsions. | 
| 84 |  |  | */ | 
| 85 |  |  |  | 
| 86 |  |  | struct node_tag* members_2( int a, int b ){ | 
| 87 |  |  |  | 
| 88 |  |  | struct node_tag* the_node; | 
| 89 |  |  | the_node = ( struct node_tag* )malloc( sizeof( node ) ); | 
| 90 |  |  |  | 
| 91 |  |  | the_node->type = MEMBER_STMT; | 
| 92 |  |  | the_node->index = 0; | 
| 93 |  |  | the_node->next_stmt = NULL; | 
| 94 |  |  | the_node->prev_stmt = NULL; | 
| 95 |  |  | the_node->stmt_list = NULL; | 
| 96 |  |  |  | 
| 97 |  |  | the_node->the_data.mbr.a = a; | 
| 98 |  |  | the_node->the_data.mbr.b = b; | 
| 99 |  |  | the_node->the_data.mbr.c = 0; | 
| 100 |  |  | the_node->the_data.mbr.d = 0; | 
| 101 |  |  |  | 
| 102 |  |  | return the_node; | 
| 103 |  |  | } | 
| 104 |  |  |  | 
| 105 |  |  | struct node_tag* members_3( int a, int b, int c ){ | 
| 106 |  |  |  | 
| 107 |  |  | struct node_tag* the_node; | 
| 108 |  |  | the_node = ( struct node_tag* )malloc( sizeof( node ) ); | 
| 109 |  |  |  | 
| 110 |  |  | the_node->type = MEMBER_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.mbr.a = a; | 
| 117 |  |  | the_node->the_data.mbr.b = b; | 
| 118 |  |  | the_node->the_data.mbr.c = c; | 
| 119 |  |  | the_node->the_data.mbr.d = 0; | 
| 120 |  |  |  | 
| 121 |  |  | return the_node; | 
| 122 |  |  | } | 
| 123 |  |  |  | 
| 124 |  |  | struct node_tag* members_4( int a, int b, int c, int d ){ | 
| 125 |  |  |  | 
| 126 |  |  | struct node_tag* the_node; | 
| 127 |  |  | the_node = ( struct node_tag* )malloc( sizeof( node ) ); | 
| 128 |  |  |  | 
| 129 |  |  | the_node->type = MEMBER_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.mbr.a = a; | 
| 136 |  |  | the_node->the_data.mbr.b = b; | 
| 137 |  |  | the_node->the_data.mbr.c = c; | 
| 138 |  |  | the_node->the_data.mbr.d = d; | 
| 139 |  |  |  | 
| 140 |  |  | return the_node; | 
| 141 |  |  | } | 
| 142 |  |  |  | 
| 143 |  |  | /* | 
| 144 |  |  | This function does the C & I of the constraint statements | 
| 145 |  |  | */ | 
| 146 |  |  |  | 
| 147 |  |  | struct node_tag* constraint( double constraint_val ){ | 
| 148 |  |  |  | 
| 149 |  |  | struct node_tag* the_node; | 
| 150 |  |  | the_node = ( struct node_tag* )malloc( sizeof( node ) ); | 
| 151 |  |  |  | 
| 152 |  |  | the_node->type = CONSTRAINT_STMT; | 
| 153 |  |  | the_node->index = 0; | 
| 154 |  |  | the_node->next_stmt = NULL; | 
| 155 |  |  | the_node->prev_stmt = NULL; | 
| 156 |  |  | the_node->stmt_list = NULL; | 
| 157 |  |  |  | 
| 158 |  |  | the_node->the_data.cnstr.constraint_val = constraint_val; | 
| 159 |  |  |  | 
| 160 |  |  | return the_node; | 
| 161 |  |  | } | 
| 162 |  |  |  | 
| 163 |  |  | /* | 
| 164 |  |  | This function does the C & I for the orientation statements | 
| 165 |  |  | */ | 
| 166 |  |  |  | 
| 167 |  |  | struct node_tag* orientation( double x, double y, double z ){ | 
| 168 |  |  |  | 
| 169 |  |  | struct node_tag* the_node; | 
| 170 |  |  | the_node = ( struct node_tag* )malloc( sizeof( node ) ); | 
| 171 |  |  |  | 
| 172 |  |  | the_node->type = ORIENTATION_STMT; | 
| 173 |  |  | the_node->index = 0; | 
| 174 |  |  | the_node->next_stmt = NULL; | 
| 175 |  |  | the_node->prev_stmt = NULL; | 
| 176 |  |  | the_node->stmt_list = NULL; | 
| 177 |  |  |  | 
| 178 |  |  | the_node->the_data.pos.x = x; | 
| 179 |  |  | the_node->the_data.pos.y = y; | 
| 180 |  |  | the_node->the_data.pos.z = z; | 
| 181 |  |  |  | 
| 182 |  |  | return the_node; | 
| 183 |  |  | } | 
| 184 |  |  |  | 
| 185 |  |  | /* | 
| 186 |  |  | This function does the C & I for the position statements | 
| 187 |  |  | */ | 
| 188 |  |  |  | 
| 189 |  |  | struct node_tag* position( double x, double y, double z ){ | 
| 190 |  |  |  | 
| 191 |  |  | struct node_tag* the_node; | 
| 192 |  |  | the_node = ( struct node_tag* )malloc( sizeof( node ) ); | 
| 193 |  |  |  | 
| 194 |  |  | the_node->type = POSITION_STMT; | 
| 195 |  |  | the_node->index = 0; | 
| 196 |  |  | the_node->next_stmt = NULL; | 
| 197 |  |  | the_node->prev_stmt = NULL; | 
| 198 |  |  | the_node->stmt_list = NULL; | 
| 199 |  |  |  | 
| 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 |  |  |  | 
| 204 |  |  | return the_node; | 
| 205 |  |  | } | 
| 206 |  |  |  | 
| 207 |  |  | /* | 
| 208 |  |  | Does the C & I for the start_index statement | 
| 209 |  |  | */ | 
| 210 |  |  |  | 
| 211 |  |  | struct node_tag* start_index( struct integer_list_tag* the_list ){ | 
| 212 |  |  |  | 
| 213 |  |  | struct node_tag* the_node; | 
| 214 |  |  | the_node = ( struct node_tag* )malloc( sizeof( node ) ); | 
| 215 |  |  |  | 
| 216 |  |  | the_node->type = START_INDEX_STMT; | 
| 217 |  |  | the_node->index = 0; | 
| 218 |  |  | the_node->next_stmt = NULL; | 
| 219 |  |  | the_node->prev_stmt = NULL; | 
| 220 |  |  | the_node->stmt_list = NULL; | 
| 221 |  |  |  | 
| 222 |  |  | the_node->the_data.il_head = the_list; | 
| 223 |  |  |  | 
| 224 |  |  | return the_node; | 
| 225 |  |  | } | 
| 226 |  |  |  | 
| 227 |  |  | /* | 
| 228 |  |  | The following six functions initialize the statement nodes | 
| 229 |  |  | coresponding to the different code block types. | 
| 230 |  |  | */ | 
| 231 |  |  |  | 
| 232 |  |  | struct node_tag* molecule_blk( struct node_tag* stmt_list ){ | 
| 233 |  |  |  | 
| 234 |  |  | struct node_tag* the_node; | 
| 235 |  |  | the_node = ( struct node_tag* )malloc( sizeof( node ) ); | 
| 236 |  |  |  | 
| 237 |  |  | the_node->type = MOLECULE_HEAD; | 
| 238 |  |  | the_node->index = 0; | 
| 239 |  |  | the_node->next_stmt = NULL; | 
| 240 |  |  | the_node->prev_stmt = NULL; | 
| 241 |  |  | the_node->stmt_list = walk_to_top( stmt_list ); | 
| 242 |  |  |  | 
| 243 |  |  | return the_node; | 
| 244 |  |  | } | 
| 245 |  |  |  | 
| 246 |  |  | struct node_tag* atom_blk( int index, struct node_tag* stmt_list ){ | 
| 247 |  |  |  | 
| 248 |  |  | struct node_tag* the_node; | 
| 249 |  |  | the_node = ( struct node_tag* )malloc( sizeof( node ) ); | 
| 250 |  |  |  | 
| 251 |  |  | the_node->type = ATOM_HEAD; | 
| 252 |  |  | the_node->index = index; | 
| 253 |  |  | the_node->next_stmt = NULL; | 
| 254 |  |  | the_node->prev_stmt = NULL; | 
| 255 |  |  | the_node->stmt_list = walk_to_top( stmt_list ); | 
| 256 |  |  |  | 
| 257 |  |  | return the_node; | 
| 258 |  |  | } | 
| 259 |  |  |  | 
| 260 |  |  | struct node_tag* bond_blk( int index, struct node_tag* stmt_list ){ | 
| 261 |  |  |  | 
| 262 |  |  | struct node_tag* the_node; | 
| 263 |  |  | the_node = ( struct node_tag* )malloc( sizeof( node ) ); | 
| 264 |  |  |  | 
| 265 |  |  | the_node->type = BOND_HEAD; | 
| 266 |  |  | the_node->index = index; | 
| 267 |  |  | the_node->next_stmt = NULL; | 
| 268 |  |  | the_node->prev_stmt = NULL; | 
| 269 |  |  | the_node->stmt_list = walk_to_top( stmt_list ); | 
| 270 |  |  |  | 
| 271 |  |  | return the_node; | 
| 272 |  |  | } | 
| 273 |  |  |  | 
| 274 |  |  | struct node_tag* bend_blk( int index, struct node_tag* stmt_list ){ | 
| 275 |  |  |  | 
| 276 |  |  | struct node_tag* the_node; | 
| 277 |  |  | the_node = ( struct node_tag* )malloc( sizeof( node ) ); | 
| 278 |  |  |  | 
| 279 |  |  | the_node->type = BEND_HEAD; | 
| 280 |  |  | the_node->index = index; | 
| 281 |  |  | the_node->next_stmt = NULL; | 
| 282 |  |  | the_node->prev_stmt = NULL; | 
| 283 |  |  | the_node->stmt_list = walk_to_top( stmt_list ); | 
| 284 |  |  |  | 
| 285 |  |  | return the_node; | 
| 286 |  |  | } | 
| 287 |  |  |  | 
| 288 |  |  | struct node_tag* torsion_blk( int index, struct node_tag* stmt_list ){ | 
| 289 |  |  |  | 
| 290 |  |  | struct node_tag* the_node; | 
| 291 |  |  | the_node = ( struct node_tag* )malloc( sizeof( node ) ); | 
| 292 |  |  |  | 
| 293 |  |  | the_node->type = TORSION_HEAD; | 
| 294 |  |  | the_node->index = index; | 
| 295 |  |  | the_node->next_stmt = NULL; | 
| 296 |  |  | the_node->prev_stmt = NULL; | 
| 297 |  |  | the_node->stmt_list = walk_to_top( stmt_list ); | 
| 298 |  |  |  | 
| 299 |  |  | return the_node; | 
| 300 |  |  | } | 
| 301 |  |  |  | 
| 302 |  |  | struct node_tag* component_blk( struct node_tag* stmt_list ){ | 
| 303 |  |  |  | 
| 304 |  |  | struct node_tag* the_node; | 
| 305 |  |  | the_node = ( struct node_tag* )malloc( sizeof( node ) ); | 
| 306 |  |  |  | 
| 307 |  |  | the_node->type = COMPONENT_HEAD; | 
| 308 |  |  | the_node->index = 0; | 
| 309 |  |  | the_node->next_stmt = NULL; | 
| 310 |  |  | the_node->prev_stmt = NULL; | 
| 311 |  |  | the_node->stmt_list = walk_to_top( stmt_list ); | 
| 312 |  |  |  | 
| 313 |  |  | return the_node; | 
| 314 |  |  | } | 
| 315 |  |  |  | 
| 316 |  |  | /* | 
| 317 |  |  | the next two functions handle the integer list nodes. | 
| 318 |  |  | */ | 
| 319 |  |  |  | 
| 320 |  |  | struct integer_list_tag* il_node( int the_int ){ | 
| 321 |  |  |  | 
| 322 |  |  | struct integer_list_tag* the_il_node; | 
| 323 |  |  | the_il_node = ( struct integer_list_tag* )malloc( sizeof( integer_list ) ); | 
| 324 |  |  |  | 
| 325 |  |  | the_il_node->prev = NULL; | 
| 326 |  |  | the_il_node->next = NULL; | 
| 327 |  |  |  | 
| 328 |  |  | the_il_node->the_int = the_int; | 
| 329 |  |  |  | 
| 330 |  |  | return the_il_node; | 
| 331 |  |  | } | 
| 332 |  |  |  | 
| 333 |  |  | struct integer_list_tag* il_top( struct integer_list_tag* the_list ){ | 
| 334 |  |  |  | 
| 335 |  |  | while( the_list->prev != NULL ){ | 
| 336 |  |  | the_list = the_list->prev; | 
| 337 |  |  | } | 
| 338 |  |  | return the_list; | 
| 339 |  |  | } |