src/external/tng_io/src/lib/tng_io_fortran.c

   1 /* This code is part of the tng binary trajectory format.
   2  *
   3  *                      VERSION 1.5
   4  *
   5  * Written by Magnus Lundborg
   6  * Copyright (c) 2012-2013, The GROMACS development team.
   7  * Check out http://www.gromacs.org for more information.
   8  *
   9  *
  10  * This program is free software; you can redistribute it and/or
  11  * modify it under the terms of the Revised BSD License.
  12  */
  13
  14 #include "../../include/tng_io.h"
  15
  16 /* The following is for calling the library from fortran */
  17
  18 tng_function_status DECLSPECDLLEXPORT tng_trajectory_init_(tng_trajectory_t *tng_data_p)
  19 {
  20     return(tng_trajectory_init(tng_data_p));
  21 }
  22
  23 tng_function_status DECLSPECDLLEXPORT tng_trajectory_destroy_(tng_trajectory_t *tng_data_p)
  24 {
  25     return(tng_trajectory_destroy(tng_data_p));
  26 }
  27
  28 tng_function_status DECLSPECDLLEXPORT tng_trajectory_init_from_src_(tng_trajectory_t src,
  29                                                    tng_trajectory_t *dest_p)
  30 {
  31     return(tng_trajectory_init_from_src(src, dest_p));
  32 }
  33
  34 tng_function_status DECLSPECDLLEXPORT tng_input_file_get_(const tng_trajectory_t tng_data,
  35                                         char *file_name, const int max_len)
  36 {
  37     return(tng_input_file_get(tng_data, file_name, max_len));
  38 }
  39
  40 tng_function_status DECLSPECDLLEXPORT tng_input_file_set_(tng_trajectory_t tng_data,
  41                                         const char *file_name, int name_len)
  42 {
  43     char *name = malloc(name_len + 1);
  44     tng_function_status stat;
  45
  46     strncpy(name, file_name, name_len);
  47     name[name_len] = 0;
  48     stat = tng_input_file_set(tng_data, name);
  49     free(name);
  50     return(stat);
  51 }
  52
  53 tng_function_status DECLSPECDLLEXPORT tng_output_file_get_(const tng_trajectory_t tng_data,
  54                                          char *file_name, const int max_len)
  55 {
  56     return(tng_output_file_get(tng_data, file_name, max_len));
  57 }
  58
  59 tng_function_status DECLSPECDLLEXPORT tng_output_file_set_(tng_trajectory_t tng_data,
  60                                          const char *file_name, int name_len)
  61 {
  62     char *name = malloc(name_len + 1);
  63     tng_function_status stat;
  64
  65     strncpy(name, file_name, name_len);
  66     name[name_len] = 0;
  67     stat = tng_output_file_set(tng_data, name);
  68     free(name);
  69     return(stat);
  70 }
  71
  72 tng_function_status DECLSPECDLLEXPORT tng_first_program_name_get_(const tng_trajectory_t tng_data,
  73                                                 char *name, const int max_len)
  74 {
  75     return(tng_first_program_name_get(tng_data, name, max_len));
  76 }
  77
  78 tng_function_status DECLSPECDLLEXPORT tng_output_file_endianness_get_
  79                 (tng_trajectory_t tng_data, tng_file_endianness *endianness)
  80 {
  81     return(tng_output_file_endianness_get(tng_data, endianness));
  82 }
  83
  84 tng_function_status DECLSPECDLLEXPORT tng_output_file_endianness_set_
  85                 (tng_trajectory_t tng_data, const tng_file_endianness *endianness)
  86 {
  87     return(tng_output_file_endianness_set(tng_data, *endianness));
  88 }
  89
  90 tng_function_status DECLSPECDLLEXPORT tng_first_program_name_set_(tng_trajectory_t tng_data,
  91                                                 const char *new_name,
  92                                                 int name_len)
  93 {
  94     char *name = malloc(name_len + 1);
  95     tng_function_status stat;
  96
  97     strncpy(name, new_name, name_len);
  98     name[name_len] = 0;
  99     stat = tng_first_program_name_set(tng_data, name);
 100     free(name);
 101     return(stat);
 102 }
 103
 104 tng_function_status DECLSPECDLLEXPORT tng_last_program_name_get_(const tng_trajectory_t tng_data,
 105                                                 char *name, const int max_len)
 106 {
 107     return(tng_last_program_name_get(tng_data, name, max_len));
 108 }
 109
 110 tng_function_status DECLSPECDLLEXPORT tng_last_program_name_set_(tng_trajectory_t tng_data,
 111                                                const char *new_name,
 112                                                int name_len)
 113 {
 114     char *name = malloc(name_len + 1);
 115     tng_function_status stat;
 116
 117     strncpy(name, new_name, name_len);
 118     name[name_len] = 0;
 119     stat = tng_last_program_name_set(tng_data, name);
 120     free(name);
 121     return(stat);
 122 }
 123
 124 tng_function_status DECLSPECDLLEXPORT tng_first_user_name_get_(const tng_trajectory_t tng_data,
 125                                              char *name, const int max_len)
 126 {
 127     return(tng_first_user_name_get(tng_data, name, max_len));
 128 }
 129
 130 tng_function_status DECLSPECDLLEXPORT tng_first_user_name_set_(tng_trajectory_t tng_data,
 131                                              const char *new_name,
 132                                              int name_len)
 133 {
 134     char *name = malloc(name_len + 1);
 135     tng_function_status stat;
 136
 137     strncpy(name, new_name, name_len);
 138     name[name_len] = 0;
 139     stat = tng_first_user_name_set(tng_data, name);
 140     free(name);
 141     return(stat);
 142 }
 143
 144 tng_function_status DECLSPECDLLEXPORT tng_last_user_name_get_(const tng_trajectory_t tng_data,
 145                                             char *name, const int max_len)
 146 {
 147     return(tng_last_user_name_get(tng_data, name, max_len));
 148 }
 149
 150 tng_function_status DECLSPECDLLEXPORT tng_last_user_name_set_(tng_trajectory_t tng_data,
 151                                             const char *new_name,
 152                                             int name_len)
 153 {
 154     char *name = malloc(name_len + 1);
 155     tng_function_status stat;
 156
 157     strncpy(name, new_name, name_len);
 158     name[name_len] = 0;
 159     stat = tng_last_user_name_set(tng_data, name);
 160     free(name);
 161     return(stat);
 162 }
 163
 164 tng_function_status DECLSPECDLLEXPORT tng_first_computer_name_get_(const tng_trajectory_t tng_data,
 165                                                  char *name, const int max_len)
 166 {
 167     return(tng_first_computer_name_get(tng_data, name, max_len));
 168 }
 169
 170 tng_function_status DECLSPECDLLEXPORT tng_first_computer_name_set_(tng_trajectory_t tng_data,
 171                                                  const char *new_name,
 172                                                  int name_len)
 173 {
 174     char *name = malloc(name_len + 1);
 175     tng_function_status stat;
 176
 177     strncpy(name, new_name, name_len);
 178     name[name_len] = 0;
 179     stat = tng_first_computer_name_set(tng_data, name);
 180     free(name);
 181     return(stat);
 182 }
 183
 184 tng_function_status DECLSPECDLLEXPORT tng_last_computer_name_get_(const tng_trajectory_t tng_data,
 185                                                  char *name, const int max_len)
 186 {
 187     return(tng_last_computer_name_get(tng_data, name, max_len));
 188 }
 189
 190 tng_function_status DECLSPECDLLEXPORT tng_last_computer_name_set_(tng_trajectory_t tng_data,
 191                                                 const char *new_name,
 192                                                 int name_len)
 193 {
 194     char *name = malloc(name_len + 1);
 195     tng_function_status stat;
 196
 197     strncpy(name, new_name, name_len);
 198     name[name_len] = 0;
 199     stat = tng_last_computer_name_set(tng_data, name);
 200     free(name);
 201     return(stat);
 202 }
 203
 204 tng_function_status DECLSPECDLLEXPORT tng_first_signature_get_
 205                 (const tng_trajectory_t tng_data,
 206                  char *signature, const int max_len)
 207 {
 208     return(tng_first_signature_get(tng_data, signature, max_len));
 209 }
 210
 211 tng_function_status DECLSPECDLLEXPORT tng_first_signature_set_(tng_trajectory_t tng_data,
 212                                              const char *signature,
 213                                              int sign_len)
 214 {
 215     char *sign = malloc(sign_len + 1);
 216     tng_function_status stat;
 217
 218     strncpy(sign, signature, sign_len);
 219     sign[sign_len] = 0;
 220     stat = tng_first_signature_set(tng_data, sign);
 221     free(sign);
 222     return(stat);
 223 }
 224
 225 tng_function_status DECLSPECDLLEXPORT tng_last_signature_get_
 226                 (const tng_trajectory_t tng_data,
 227                  char *signature, const int max_len)
 228 {
 229     return(tng_last_signature_get(tng_data, signature, max_len));
 230 }
 231
 232 tng_function_status DECLSPECDLLEXPORT tng_last_signature_set_
 233                 (tng_trajectory_t tng_data,
 234                  const char *signature,
 235                  int sign_len)
 236 {
 237     char *sign = malloc(sign_len + 1);
 238     tng_function_status stat;
 239
 240     strncpy(sign, signature, sign_len);
 241     sign[sign_len] = 0;
 242     stat = tng_last_signature_set(tng_data, sign);
 243     free(sign);
 244     return(stat);
 245 }
 246
 247 tng_function_status DECLSPECDLLEXPORT tng_forcefield_name_get_
 248                 (const tng_trajectory_t tng_data,
 249                  char *name, const int max_len)
 250 {
 251     return(tng_forcefield_name_get(tng_data, name, max_len));
 252 }
 253
 254 tng_function_status DECLSPECDLLEXPORT tng_forcefield_name_set_
 255                 (tng_trajectory_t tng_data,
 256                  const char *new_name,
 257                  int name_len)
 258 {
 259     char *name = malloc(name_len + 1);
 260     tng_function_status stat;
 261
 262     strncpy(name, new_name, name_len);
 263     name[name_len] = 0;
 264     stat = tng_forcefield_name_set(tng_data, name);
 265     free(name);
 266     return(stat);
 267 }
 268
 269 tng_function_status DECLSPECDLLEXPORT tng_medium_stride_length_get_
 270                 (const tng_trajectory_t tng_data,
 271                  int64_t *len)
 272 {
 273     return(tng_medium_stride_length_get(tng_data, len));
 274 }
 275
 276 tng_function_status DECLSPECDLLEXPORT tng_medium_stride_length_set_
 277                 (tng_trajectory_t tng_data,
 278                  const int64_t *len)
 279 {
 280     return(tng_medium_stride_length_set(tng_data, *len));
 281 }
 282
 283 tng_function_status DECLSPECDLLEXPORT tng_long_stride_length_get_
 284                 (const tng_trajectory_t tng_data,
 285                  int64_t *len)
 286 {
 287     return(tng_long_stride_length_get(tng_data, len));
 288 }
 289
 290 tng_function_status DECLSPECDLLEXPORT tng_long_stride_length_set_
 291                 (tng_trajectory_t tng_data,
 292                  const int64_t *len)
 293 {
 294     return(tng_long_stride_length_set(tng_data, *len));
 295 }
 296
 297 tng_function_status DECLSPECDLLEXPORT tng_time_per_frame_get_
 298                 (const tng_trajectory_t tng_data,
 299                  double *time)
 300 {
 301     return(tng_time_per_frame_get(tng_data, time));
 302 }
 303
 304 tng_function_status DECLSPECDLLEXPORT tng_time_per_frame_set_
 305                 (tng_trajectory_t tng_data,
 306                  const double *time)
 307 {
 308     return(tng_time_per_frame_set(tng_data, *time));
 309 }
 310
 311 tng_function_status DECLSPECDLLEXPORT tng_input_file_len_get_
 312                 (const tng_trajectory_t tng_data,
 313                  int64_t *len)
 314 {
 315     return(tng_input_file_len_get(tng_data, len));
 316 }
 317
 318 tng_function_status DECLSPECDLLEXPORT tng_num_frames_get_
 319                 (const tng_trajectory_t tng_data,
 320                  int64_t *n)
 321 {
 322     return(tng_num_frames_get(tng_data, n));
 323 }
 324
 325 tng_function_status DECLSPECDLLEXPORT tng_num_particles_get_
 326                 (const tng_trajectory_t tng_data,
 327                  int64_t *n)
 328 {
 329     return(tng_num_particles_get(tng_data, n));
 330 }
 331
 332 tng_function_status DECLSPECDLLEXPORT tng_num_molecules_get_
 333                 (const tng_trajectory_t tng_data,
 334                  int64_t *n)
 335 {
 336     return(tng_num_molecules_get(tng_data, n));
 337 }
 338
 339 tng_function_status DECLSPECDLLEXPORT tng_distance_unit_exponential_get_
 340                 (const tng_trajectory_t tng_data,
 341                  int64_t *exp)
 342 {
 343     return(tng_distance_unit_exponential_get(tng_data, exp));
 344 }
 345
 346 tng_function_status DECLSPECDLLEXPORT tng_distance_unit_exponential_set_
 347                 (const tng_trajectory_t tng_data,
 348                  const int64_t *exp)
 349 {
 350     return(tng_distance_unit_exponential_set(tng_data, *exp));
 351 }
 352
 353 tng_function_status DECLSPECDLLEXPORT tng_num_frames_per_frame_set_get_
 354                 (const tng_trajectory_t tng_data,
 355                  int64_t *n)
 356 {
 357     return(tng_num_frames_per_frame_set_get(tng_data, n));
 358 }
 359
 360 tng_function_status DECLSPECDLLEXPORT tng_num_frames_per_frame_set_set_
 361                 (const tng_trajectory_t tng_data,
 362                  int64_t *n)
 363 {
 364     return(tng_num_frames_per_frame_set_set(tng_data, *n));
 365 }
 366
 367 tng_function_status DECLSPECDLLEXPORT tng_num_frame_sets_get_
 368                 (const tng_trajectory_t tng_data,
 369                  int64_t *n)
 370 {
 371     return(tng_num_frame_sets_get(tng_data, n));
 372 }
 373
 374 tng_function_status DECLSPECDLLEXPORT tng_current_frame_set_get_
 375                 (tng_trajectory_t tng_data,
 376                  tng_trajectory_frame_set_t *frame_set_p)
 377 {
 378     return(tng_current_frame_set_get(tng_data, frame_set_p));
 379 }
 380
 381 tng_function_status DECLSPECDLLEXPORT tng_frame_set_nr_find_(tng_trajectory_t tng_data,
 382                                                              const int64_t *nr)
 383 {
 384     return(tng_frame_set_nr_find(tng_data, *nr));
 385 }
 386
 387 tng_function_status DECLSPECDLLEXPORT tng_frame_set_of_frame_find_
 388                 (tng_trajectory_t tng_data,
 389                  const int64_t *frame)
 390 {
 391     return(tng_frame_set_of_frame_find(tng_data, *frame));
 392 }
 393
 394 tng_function_status DECLSPECDLLEXPORT tng_frame_set_next_frame_set_file_pos_get_
 395                 (const tng_trajectory_t tng_data,
 396                  const tng_trajectory_frame_set_t frame_set,
 397                  int64_t *pos)
 398 {
 399     return(tng_frame_set_next_frame_set_file_pos_get(tng_data, frame_set, pos));
 400 }
 401
 402 tng_function_status DECLSPECDLLEXPORT tng_frame_set_prev_frame_set_file_pos_get_
 403                 (const tng_trajectory_t tng_data,
 404                  const tng_trajectory_frame_set_t frame_set,
 405                  int64_t *pos)
 406 {
 407     return(tng_frame_set_prev_frame_set_file_pos_get(tng_data, frame_set, pos));
 408 }
 409
 410 tng_function_status DECLSPECDLLEXPORT tng_frame_set_frame_range_get_
 411                 (const tng_trajectory_t tng_data,
 412                  const tng_trajectory_frame_set_t frame_set,
 413                  int64_t *first_frame,
 414                  int64_t *last_frame)
 415 {
 416     return(tng_frame_set_frame_range_get(tng_data, frame_set, first_frame,
 417                                          last_frame));
 418 }
 419
 420 tng_function_status DECLSPECDLLEXPORT tng_molecule_init_(const tng_trajectory_t tng_data,
 421                                        tng_molecule_t molecule)
 422 {
 423     return(tng_molecule_init(tng_data, molecule));
 424 }
 425
 426 tng_function_status DECLSPECDLLEXPORT tng_molecule_destroy_
 427                 (const tng_trajectory_t tng_data,
 428                  tng_molecule_t molecule)
 429 {
 430     return(tng_molecule_destroy(tng_data, molecule));
 431 }
 432
 433 tng_function_status DECLSPECDLLEXPORT tng_molecule_add_(tng_trajectory_t tng_data,
 434                                                         const char *name,
 435                                                         tng_molecule_t *molecule,
 436                                                         int name_len)
 437 {
 438     char *n = malloc(name_len + 1);
 439     tng_function_status stat;
 440
 441     strncpy(n, name, name_len);
 442     n[name_len] = 0;
 443     stat = tng_molecule_add(tng_data, n, molecule);
 444     free(n);
 445     return(stat);
 446 }
 447
 448 tng_function_status DECLSPECDLLEXPORT tng_molecule_name_set_(tng_trajectory_t tng_data,
 449                                                              tng_molecule_t molecule,
 450                                                              const char *new_name,
 451                                                              int name_len)
 452 {
 453     char *name = malloc(name_len + 1);
 454     tng_function_status stat;
 455
 456     strncpy(name, new_name, name_len);
 457     name[name_len] = 0;
 458     stat = tng_molecule_name_set(tng_data, molecule, name);
 459     free(name);
 460     return(stat);
 461 }
 462
 463 tng_function_status DECLSPECDLLEXPORT tng_molecule_cnt_get_(tng_trajectory_t tng_data,
 464                                                             tng_molecule_t molecule,
 465                                                             int64_t *cnt)
 466 {
 467     return(tng_molecule_cnt_get(tng_data, molecule, cnt));
 468 }
 469
 470 tng_function_status DECLSPECDLLEXPORT tng_molecule_cnt_set_(tng_trajectory_t tng_data,
 471                                                             tng_molecule_t molecule,
 472                                                             int64_t *cnt)
 473 {
 474     return(tng_molecule_cnt_set(tng_data, molecule, *cnt));
 475 }
 476
 477 tng_function_status DECLSPECDLLEXPORT tng_molecule_find_(tng_trajectory_t tng_data,
 478                                                          const char *name,
 479                                                          int64_t nr,
 480                                                          tng_molecule_t *molecule,
 481                                                          int name_len)
 482 {
 483     char *n = malloc(name_len + 1);
 484     tng_function_status stat;
 485
 486     strncpy(n, name, name_len);
 487     n[name_len] = 0;
 488     stat = tng_molecule_find(tng_data, n, nr, molecule);
 489     free(n);
 490     return(stat);
 491 }
 492
 493 tng_function_status DECLSPECDLLEXPORT tng_molecule_chain_find_(tng_trajectory_t tng_data,
 494                                                                tng_molecule_t molecule,
 495                                                                const char *name,
 496                                                                int64_t id,
 497                                                                tng_chain_t *chain,
 498                                                                int name_len)
 499 {
 500     char *n = malloc(name_len + 1);
 501     tng_function_status stat;
 502
 503     strncpy(n, name, name_len);
 504     n[name_len] = 0;
 505     stat = tng_molecule_chain_find(tng_data, molecule, n, id, chain);
 506     free(n);
 507     return(stat);
 508 }
 509
 510 tng_function_status DECLSPECDLLEXPORT tng_molecule_chain_add_(tng_trajectory_t tng_data,
 511                                                               tng_molecule_t molecule,
 512                                                               const char *name,
 513                                                               tng_chain_t *chain,
 514                                                               int name_len)
 515 {
 516     char *n = malloc(name_len + 1);
 517     tng_function_status stat;
 518
 519     strncpy(n, name, name_len);
 520     n[name_len] = 0;
 521     stat = tng_molecule_chain_add(tng_data, molecule, n, chain);
 522     free(n);
 523     return(stat);
 524 }
 525
 526 tng_function_status DECLSPECDLLEXPORT tng_chain_name_set_(tng_trajectory_t tng_data,
 527                                                           tng_chain_t chain,
 528                                                           const char *new_name,
 529                                                           int name_len)
 530 {
 531     char *name = malloc(name_len + 1);
 532     tng_function_status stat;
 533
 534     strncpy(name, new_name, name_len);
 535     name[name_len] = 0;
 536     stat = tng_chain_name_set(tng_data, chain, name);
 537     free(name);
 538     return(stat);
 539 }
 540
 541 tng_function_status DECLSPECDLLEXPORT tng_chain_residue_add_(tng_trajectory_t tng_data,
 542                                                              tng_chain_t chain,
 543                                                              const char *name,
 544                                                              tng_residue_t *residue,
 545                                                              int name_len)
 546 {
 547     char *n = malloc(name_len + 1);
 548     tng_function_status stat;
 549
 550     strncpy(n, name, name_len);
 551     n[name_len] = 0;
 552     stat = tng_chain_residue_add(tng_data, chain, n, residue);
 553     free(n);
 554     return(stat);
 555 }
 556
 557 tng_function_status DECLSPECDLLEXPORT tng_residue_name_set_(tng_trajectory_t tng_data,
 558                                                             tng_residue_t residue,
 559                                                             const char *new_name,
 560                                                             int name_len)
 561 {
 562     char *name = malloc(name_len + 1);
 563     tng_function_status stat;
 564
 565     strncpy(name, new_name, name_len);
 566     name[name_len] = 0;
 567     stat = tng_residue_name_set(tng_data, residue, name);
 568     free(name);
 569     return(stat);
 570 }
 571
 572 tng_function_status DECLSPECDLLEXPORT tng_residue_atom_add_(tng_trajectory_t tng_data,
 573                                                             tng_residue_t residue,
 574                                                             const char *atom_name,
 575                                                             const char *atom_type,
 576                                                             tng_atom_t *atom,
 577                                                             int name_len,
 578                                                             int type_len)
 579 {
 580     char *name = malloc(name_len + 1);
 581     char *type = malloc(type_len + 1);
 582     tng_function_status stat;
 583
 584     strncpy(name, atom_name, name_len);
 585     strncpy(type, atom_type, type_len);
 586     name[name_len] = 0;
 587     type[type_len] = 0;
 588     stat = tng_residue_atom_add(tng_data, residue, name, type, atom);
 589     free(name);
 590     free(type);
 591     return(stat);
 592 }
 593
 594 tng_function_status DECLSPECDLLEXPORT tng_atom_name_set_(tng_trajectory_t tng_data,
 595                                                          tng_atom_t atom,
 596                                                          const char *new_name,
 597                                                          int name_len)
 598 {
 599     char *name = malloc(name_len + 1);
 600     tng_function_status stat;
 601
 602     strncpy(name, new_name, name_len);
 603     name[name_len] = 0;
 604     stat = tng_atom_name_set(tng_data, atom, name);
 605     free(name);
 606     return(stat);
 607 }
 608
 609 tng_function_status DECLSPECDLLEXPORT tng_atom_type_set_(tng_trajectory_t tng_data,
 610                                                          tng_atom_t atom,
 611                                                          const char *new_type,
 612                                                          int type_len)
 613 {
 614     char *type = malloc(type_len + 1);
 615     tng_function_status stat;
 616
 617     strncpy(type, new_type, type_len);
 618     type[type_len] = 0;
 619     stat = tng_atom_type_set(tng_data, atom, type);
 620     free(type);
 621     return(stat);
 622 }
 623
 624 tng_function_status DECLSPECDLLEXPORT tng_molecule_name_of_particle_nr_get_
 625                 (const tng_trajectory_t tng_data,
 626                  const int64_t nr,
 627                  char *name,
 628                  int max_len)
 629 {
 630     return(tng_molecule_name_of_particle_nr_get(tng_data, nr, name, max_len));
 631 }
 632
 633 tng_function_status DECLSPECDLLEXPORT tng_chain_name_of_particle_nr_get_
 634                 (const tng_trajectory_t tng_data,
 635                  const int64_t nr,
 636                  char *name,
 637                  int max_len)
 638 {
 639     return(tng_chain_name_of_particle_nr_get(tng_data, nr, name, max_len));
 640 }
 641
 642 tng_function_status DECLSPECDLLEXPORT tng_residue_name_of_particle_nr_get_
 643                 (const tng_trajectory_t tng_data,
 644                  const int64_t nr,
 645                  char *name,
 646                  int max_len)
 647 {
 648     return(tng_residue_name_of_particle_nr_get(tng_data, nr, name, max_len));
 649 }
 650
 651 tng_function_status DECLSPECDLLEXPORT tng_residue_id_of_particle_nr_get_
 652                 (const tng_trajectory_t tng_data,
 653                  const int64_t nr,
 654                  int64_t *id)
 655 {
 656     return(tng_residue_id_of_particle_nr_get(tng_data, nr, id));
 657 }
 658
 659 tng_function_status DECLSPECDLLEXPORT tng_atom_name_of_particle_nr_get_
 660                 (const tng_trajectory_t tng_data,
 661                  const int64_t nr,
 662                  char *name,
 663                  int max_len)
 664 {
 665     return(tng_atom_name_of_particle_nr_get(tng_data, nr, name, max_len));
 666 }
 667
 668 tng_function_status DECLSPECDLLEXPORT tng_atom_type_of_particle_nr_get_
 669                 (const tng_trajectory_t tng_data,
 670                  const int64_t nr,
 671                  char *type,
 672                  int max_len)
 673 {
 674     return(tng_atom_type_of_particle_nr_get(tng_data, nr, type, max_len));
 675 }
 676
 677 tng_function_status DECLSPECDLLEXPORT tng_particle_mapping_add_
 678                 (tng_trajectory_t tng_data,
 679                  const int64_t *first_particle_number,
 680                  const int64_t *n_particles,
 681                  const int64_t *mapping_table)
 682 {
 683     return(tng_particle_mapping_add(tng_data, *first_particle_number,
 684                                     *n_particles, mapping_table));
 685 }
 686
 687 tng_function_status DECLSPECDLLEXPORT tng_file_headers_read_(tng_trajectory_t tng_data,
 688                                                              const char *hash_mode)
 689 {
 690     return(tng_file_headers_read(tng_data, *hash_mode));
 691 }
 692
 693 tng_function_status DECLSPECDLLEXPORT tng_file_headers_write_
 694                 (tng_trajectory_t tng_data,
 695                  const char *hash_mode)
 696 {
 697     return(tng_file_headers_write(tng_data, *hash_mode));
 698 }
 699
 700 tng_function_status DECLSPECDLLEXPORT tng_block_read_next_
 701                 (tng_trajectory_t tng_data,
 702                  tng_gen_block_t block_data,
 703                  const char *hash_mode)
 704 {
 705     return(tng_block_read_next(tng_data, block_data, *hash_mode));
 706 }
 707
 708 tng_function_status DECLSPECDLLEXPORT tng_frame_set_read_next_
 709                 (tng_trajectory_t tng_data,
 710                  const char *hash_mode)
 711 {
 712     return(tng_frame_set_read_next(tng_data, *hash_mode));
 713 }
 714
 715 tng_function_status DECLSPECDLLEXPORT tng_frame_set_write_(tng_trajectory_t tng_data,
 716                                                            const char *hash_mode)
 717 {
 718     return(tng_frame_set_write(tng_data, *hash_mode));
 719 }
 720
 721 tng_function_status DECLSPECDLLEXPORT tng_frame_set_new_(tng_trajectory_t tng_data,
 722                                                          const int64_t *first_frame,
 723                                                          const int64_t *n_frames)
 724 {
 725     return(tng_frame_set_new(tng_data, *first_frame, *n_frames));
 726 }
 727
 728 tng_function_status DECLSPECDLLEXPORT tng_frame_set_with_time_new_
 729                 (tng_trajectory_t tng_data,
 730                  const int64_t *first_frame,
 731                  const int64_t *n_frames,
 732                  const double *first_frame_time)
 733 {
 734     return(tng_frame_set_with_time_new(tng_data, *first_frame, *n_frames,
 735                              *first_frame_time));
 736 }
 737
 738 tng_function_status DECLSPECDLLEXPORT tng_frame_set_first_frame_time_set_
 739                 (tng_trajectory_t tng_data,
 740                  const double *first_frame_time)
 741 {
 742     return(tng_frame_set_first_frame_time_set(tng_data, *first_frame_time));
 743 }
 744
 745 tng_function_status DECLSPECDLLEXPORT tng_data_block_add_
 746                 (tng_trajectory_t tng_data,
 747                  const int64_t *id,
 748                  const char *block_name,
 749                  const char *datatype,
 750                  const char *block_type_flag,
 751                  int64_t *n_frames,
 752                  const int64_t *n_values_per_frame,
 753                  const int64_t *stride_length,
 754                  const int64_t *codec_id,
 755                  void *new_data,
 756                  int name_len)
 757 {
 758     char *name = malloc(name_len + 1);
 759     tng_function_status stat;
 760
 761     strncpy(name, block_name, name_len);
 762     name[name_len] = 0;
 763     stat = tng_data_block_add(tng_data, *id, name, *datatype, *block_type_flag,
 764                               *n_frames, *n_values_per_frame, *stride_length,
 765                               *codec_id, new_data);
 766     free(name);
 767     return(stat);
 768 }
 769
 770 tng_function_status DECLSPECDLLEXPORT tng_particle_data_block_add_
 771                 (tng_trajectory_t tng_data,
 772                  const int64_t *id,
 773                  const char *block_name,
 774                  const char *datatype,
 775                  const char *block_type_flag,
 776                  int64_t *n_frames,
 777                  const int64_t *n_values_per_frame,
 778                  const int64_t *stride_length,
 779                  const int64_t *first_particle_number,
 780                  const int64_t *n_particles,
 781                  const int64_t *codec_id,
 782                  void *new_data,
 783                  int name_len)
 784 {
 785     char *name = malloc(name_len + 1);
 786     tng_function_status stat;
 787
 788     strncpy(name, block_name, name_len);
 789     name[name_len] = 0;
 790     stat = tng_particle_data_block_add(tng_data, *id, name, *datatype,
 791                                        *block_type_flag, *n_frames,
 792                                        *n_values_per_frame, *stride_length,
 793                                        *first_particle_number, *n_particles,
 794                                        *codec_id, new_data);
 795     free(name);
 796     return(stat);
 797 }
 798
 799 tng_function_status DECLSPECDLLEXPORT tng_frame_data_write_
 800                 (tng_trajectory_t tng_data,
 801                  const int64_t *frame_nr,
 802                  const int64_t *block_id,
 803                  const void *data,
 804                  const char *hash_mode)
 805 {
 806     return(tng_frame_data_write(tng_data, *frame_nr, *block_id, data,
 807                                 *hash_mode));
 808 }
 809
 810 tng_function_status DECLSPECDLLEXPORT tng_frame_particle_data_write_
 811                 (tng_trajectory_t tng_data,
 812                  const int64_t *frame_nr,
 813                  const int64_t *block_id,
 814                  const int64_t *val_first_particle,
 815                  const int64_t *val_n_particles,
 816                  const void *data,
 817                  const char *hash_mode)
 818 {
 819     return(tng_frame_particle_data_write(tng_data, *frame_nr, *block_id,
 820                                          *val_first_particle, *val_n_particles,
 821                                          data, *hash_mode));
 822 }
 823
 824 tng_function_status DECLSPECDLLEXPORT tng_data_values_free_
 825                 (const tng_trajectory_t tng_data,
 826                  union data_values **values,
 827                  const int64_t *n_frames,
 828                  const int64_t *n_values_per_frame,
 829                  const char *type)
 830 {
 831     return(tng_data_values_free(tng_data, values, *n_frames,
 832                                 *n_values_per_frame, *type));
 833 }
 834
 835 tng_function_status DECLSPECDLLEXPORT tng_particle_data_values_free_
 836                 (const tng_trajectory_t tng_data,
 837                  union data_values ***values,
 838                  const int64_t *n_frames,
 839                  const int64_t *n_particles,
 840                  const int64_t *n_values_per_frame,
 841                  const char *type)
 842 {
 843     return(tng_particle_data_values_free(tng_data, values, *n_frames, *n_particles,
 844                                          *n_values_per_frame, *type));
 845 }
 846
 847 tng_function_status DECLSPECDLLEXPORT tng_data_get_
 848                 (tng_trajectory_t tng_data,
 849                  const int64_t *block_id,
 850                  union data_values ***values,
 851                  int64_t *n_frames,
 852                  int64_t *n_values_per_frame,
 853                  char *type)
 854 {
 855     return(tng_data_get(tng_data, *block_id, values, n_frames,
 856                         n_values_per_frame, type));
 857 }
 858
 859 tng_function_status DECLSPECDLLEXPORT tng_data_interval_get_
 860                 (tng_trajectory_t tng_data,
 861                  const int64_t *block_id,
 862                  const int64_t *start_frame_nr,
 863                  const int64_t *end_frame_nr,
 864                  const char *hash_mode,
 865                  union data_values ***values,
 866                  int64_t *n_values_per_frame,
 867                  char *type)
 868 {
 869     return(tng_data_interval_get(tng_data, *block_id, *start_frame_nr,
 870                                  *end_frame_nr, *hash_mode, values,
 871                                  n_values_per_frame, type));
 872 }
 873
 874 tng_function_status DECLSPECDLLEXPORT tng_particle_data_get_
 875                 (tng_trajectory_t tng_data,
 876                  const int64_t *block_id,
 877                  union data_values ****values,
 878                  int64_t *n_frames,
 879                  int64_t *n_particles,
 880                  int64_t *n_values_per_frame,
 881                  char *type)
 882 {
 883     return(tng_particle_data_get(tng_data, *block_id, values, n_frames,
 884                                  n_particles, n_values_per_frame, type));
 885 }
 886
 887 tng_function_status DECLSPECDLLEXPORT tng_particle_data_interval_get_
 888                 (tng_trajectory_t tng_data,
 889                  const int64_t *block_id,
 890                  const int64_t *start_frame_nr,
 891                  const int64_t *end_frame_nr,
 892                  const char *hash_mode,
 893                  union data_values ****values,
 894                  int64_t *n_particles,
 895                  int64_t *n_values_per_frame,
 896                  char *type)
 897 {
 898     return(tng_particle_data_interval_get(tng_data, *block_id, *start_frame_nr,
 899                                           *end_frame_nr, *hash_mode, values,
 900                                           n_particles, n_values_per_frame,
 901                                           type));
 902 }
 903
 904 tng_function_status DECLSPECDLLEXPORT tng_time_get_str_
 905                 (const tng_trajectory_t tng_data,
 906                  char *time, int64_t str_len)
 907 {
 908     return(tng_time_get_str(tng_data, time));
 909 }
 910
 911 tng_function_status DECLSPECDLLEXPORT tng_util_trajectory_open_
 912                 (const char *filename, const char *mode,
 913                  tng_trajectory_t *tng_data_p)
 914 {
 915     return(tng_util_trajectory_open(filename, *mode, tng_data_p));
 916 }
 917
 918 tng_function_status DECLSPECDLLEXPORT tng_util_trajectory_close_
 919                 (tng_trajectory_t *tng_data_p)
 920 {
 921     return(tng_util_trajectory_close(tng_data_p));
 922 }
 923
 924 tng_function_status DECLSPECDLLEXPORT tng_util_pos_read_
 925                 (tng_trajectory_t tng_data,
 926                  float **positions,
 927                  int64_t *stride_length)
 928 {
 929     return(tng_util_pos_read(tng_data, positions, stride_length));
 930 }
 931
 932 tng_function_status DECLSPECDLLEXPORT tng_util_vel_read_
 933                 (tng_trajectory_t tng_data,
 934                  float **velocities,
 935                  int64_t *stride_length)
 936 {
 937     return(tng_util_vel_read(tng_data, velocities, stride_length));
 938 }
 939
 940 tng_function_status DECLSPECDLLEXPORT tng_util_force_read_
 941                 (tng_trajectory_t tng_data,
 942                  float **forces,
 943                  int64_t *stride_length)
 944 {
 945     return(tng_util_force_read(tng_data, forces, stride_length));
 946 }
 947
 948 tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_read_
 949                 (tng_trajectory_t tng_data,
 950                  float **box_shape,
 951                  int64_t *stride_length)
 952 {
 953     return(tng_util_box_shape_read(tng_data, box_shape, stride_length));
 954 }
 955
 956 tng_function_status DECLSPECDLLEXPORT tng_util_pos_read_range_
 957                 (tng_trajectory_t tng_data,
 958                  const int64_t *first_frame,
 959                  const int64_t *last_frame,
 960                  float **positions,
 961                  int64_t *stride_length)
 962 {
 963     return(tng_util_pos_read_range(tng_data, *first_frame, *last_frame,
 964                                          positions, stride_length));
 965 }
 966
 967 tng_function_status DECLSPECDLLEXPORT tng_util_vel_read_range_
 968                 (tng_trajectory_t tng_data,
 969                  const int64_t *first_frame,
 970                  const int64_t *last_frame,
 971                  float **velocities,
 972                  int64_t *stride_length)
 973 {
 974     return(tng_util_vel_read_range(tng_data, *first_frame, *last_frame,
 975                                          velocities, stride_length));
 976 }
 977
 978 tng_function_status DECLSPECDLLEXPORT tng_util_force_read_range_
 979                 (tng_trajectory_t tng_data,
 980                  const int64_t *first_frame,
 981                  const int64_t *last_frame,
 982                  float **forces,
 983                  int64_t *stride_length)
 984 {
 985     return(tng_util_force_read_range(tng_data, *first_frame, *last_frame,
 986                                          forces, stride_length));
 987 }
 988
 989 tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_read_range_
 990                 (tng_trajectory_t tng_data,
 991                  const int64_t *first_frame,
 992                  const int64_t *last_frame,
 993                  float **box_shape,
 994                  int64_t *stride_length)
 995 {
 996     return(tng_util_box_shape_read_range(tng_data, *first_frame, *last_frame,
 997                                          box_shape, stride_length));
 998 }
 999
1000 tng_function_status DECLSPECDLLEXPORT tng_util_generic_write_frequency_set_
1001                 (tng_trajectory_t tng_data,
1002                  const int64_t *f,
1003                  const int64_t *n_values_per_frame,
1004                  const int64_t *block_id,
1005                  const char *block_name,
1006                  const char *particle_dependency,
1007                  const char *compression)
1008 {
1009     return(tng_util_generic_write_frequency_set(tng_data, *f,
1010                                                 *n_values_per_frame, *block_id,
1011                                                 block_name,
1012                                                 *particle_dependency,
1013                                                 *compression));
1014 }
1015
1016 tng_function_status DECLSPECDLLEXPORT tng_util_pos_write_frequency_set_
1017                 (tng_trajectory_t tng_data,
1018                  const int64_t *f)
1019 {
1020     return(tng_util_pos_write_frequency_set(tng_data, *f));
1021 }
1022
1023 tng_function_status DECLSPECDLLEXPORT tng_util_vel_write_frequency_set_
1024                 (tng_trajectory_t tng_data,
1025                  const int64_t *f)
1026 {
1027     return(tng_util_vel_write_frequency_set(tng_data, *f));
1028 }
1029
1030 tng_function_status DECLSPECDLLEXPORT tng_util_force_write_frequency_set_
1031                 (tng_trajectory_t tng_data,
1032                  const int64_t *f)
1033 {
1034     return(tng_util_force_write_frequency_set(tng_data, *f));
1035 }
1036
1037 tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_write_frequency_set_
1038                 (tng_trajectory_t tng_data,
1039                  const int64_t *f)
1040 {
1041     return(tng_util_box_shape_write_frequency_set(tng_data, *f));
1042 }
1043
1044 tng_function_status DECLSPECDLLEXPORT tng_util_generic_write_
1045                 (tng_trajectory_t tng_data,
1046                  const int64_t *frame_nr,
1047                  const float *values,
1048                  const int64_t *n_values_per_frame,
1049                  const int64_t *block_id,
1050                  const char *block_name,
1051                  const char *particle_dependency,
1052                  const char *compression)
1053 {
1054     return(tng_util_generic_write(tng_data, *frame_nr, values,
1055                                   *n_values_per_frame, *block_id, block_name,
1056                                   *particle_dependency, *compression));
1057 }
1058
1059 tng_function_status DECLSPECDLLEXPORT tng_util_pos_write_
1060                 (tng_trajectory_t tng_data,
1061                  const int64_t *frame_nr,
1062                  const float *positions)
1063 {
1064     return(tng_util_vel_write(tng_data, *frame_nr, positions));
1065 }
1066
1067 tng_function_status DECLSPECDLLEXPORT tng_util_vel_write_
1068                 (tng_trajectory_t tng_data,
1069                  const int64_t *frame_nr,
1070                  const float *velocities)
1071 {
1072     return(tng_util_vel_write(tng_data, *frame_nr, velocities));
1073 }
1074
1075 tng_function_status DECLSPECDLLEXPORT tng_util_force_write_
1076                 (tng_trajectory_t tng_data,
1077                  const int64_t *frame_nr,
1078                  const float *forces)
1079 {
1080     return(tng_util_force_write(tng_data, *frame_nr, forces));
1081 }
1082
1083 tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_write_
1084                 (tng_trajectory_t tng_data,
1085                  const int64_t *frame_nr,
1086                  const float *box_shape)
1087 {
1088     return(tng_util_box_shape_write(tng_data, *frame_nr, box_shape));
1089 }
1090
1091 tng_function_status DECLSPECDLLEXPORT tng_util_pos_with_time_write_
1092                 (tng_trajectory_t tng_data,
1093                  const int64_t *frame_nr,
1094                  const int64_t *time,
1095                  const float *positions)
1096 {
1097     return(tng_util_pos_with_time_write(tng_data, *frame_nr, *time,
1098                                         positions));
1099 }
1100
1101 tng_function_status DECLSPECDLLEXPORT tng_util_vel_with_time_write_
1102                 (tng_trajectory_t tng_data,
1103                  const int64_t *frame_nr,
1104                  const int64_t *time,
1105                  const float *velocities)
1106 {
1107     return(tng_util_vel_with_time_write(tng_data, *frame_nr, *time,
1108                                         velocities));
1109 }
1110
1111 tng_function_status DECLSPECDLLEXPORT tng_util_force_with_time_write_
1112                 (tng_trajectory_t tng_data,
1113                  const int64_t *frame_nr,
1114                  const int64_t *time,
1115                  const float *forces)
1116 {
1117     return(tng_util_force_with_time_write(tng_data, *frame_nr, *time,
1118                                           forces));
1119 }
1120
1121 tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_with_time_write_
1122                 (tng_trajectory_t tng_data,
1123                  const int64_t *frame_nr,
1124                  const int64_t *time,
1125                  const float *box_shape)
1126 {
1127     return(tng_util_box_shape_with_time_write(tng_data, *frame_nr, *time,
1128                                               box_shape));
1129 }