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43 #include "visibility.h"
52 /* Enumerated for different items in files */
54 eitemHEADER, eitemIR, eitemBOX,
55 eitemTOP, eitemX, eitemV, eitemF, eitemNR
58 /* Enumerated for data types in files */
60 eioREAL, eioFLOAT, eioDOUBLE, eioINT, eioGMX_LARGE_INT,
61 eioUCHAR, eioNUCHAR, eioUSHORT,
62 eioRVEC, eioNRVEC, eioIVEC, eioSTRING, eioNR
65 typedef struct t_fileio t_fileio;
67 extern const char *itemstr[eitemNR];
68 extern const char *comment_str[eitemNR];
70 /* NOTE ABOUT THREAD SAFETY:
72 The functions are all thread-safe, provided that two threads don't
73 do something silly like closing the same file, or one thread
74 accesses a file that has been closed by another.
77 /********************************************************
79 ********************************************************/
81 t_fileio *gmx_fio_open(const char *fn, const char *mode);
82 /* Open a new file for reading or writing.
83 * The file type will be deduced from the file name.
84 * If fn is NULL, stdin / stdout will be used for Ascii I/O (TPA type)
85 * mode may be "r", "w", or "a". You should append a "b" to the mode
86 * if you are writing a binary file, but the routine will also
87 * doublecheck it and try to do it if you forgot. This has no effect on
88 * unix, but is important on windows.
91 int gmx_fio_close(t_fileio *fp);
92 /* Close the file corresponding to fp (if not stdio)
93 * The routine will exit when an invalid fio is handled.
94 * Returns 0 on success.
97 int gmx_fio_fp_close(t_fileio *fp);
98 /* Close the file corresponding to fp without closing the FIO entry
99 * Needed e.g. for trxio because the FIO entries are used to store
101 * NOTE that the fp still needs to be properly closed with gmx_fio_close().
102 * The routine will exit when an invalid fio is handled.
103 * Returns 0 on success.
107 /* Open a file, return a stream, record the entry in internal FIO object */
109 FILE* gmx_fio_fopen(const char *fn, const char *mode);
111 /* Close a file previously opened with gmx_fio_fopen.
112 * Do not mix these calls with standard fopen/fclose ones!
113 * Returns 0 on success. */
115 int gmx_fio_fclose(FILE *fp);
119 /********************************************************
120 * Change properties of the open file
121 ********************************************************/
123 void gmx_fio_setprecision(t_fileio *fio, gmx_bool bDouble);
124 /* Select the floating point precision for reading and writing files */
126 char *gmx_fio_getname(t_fileio *fio);
127 /* Return the filename corresponding to the fio index */
130 int gmx_fio_getftp(t_fileio *fio);
131 /* Return the filetype corresponding to the fio index.
132 There is as of now no corresponding setftp function because the file
133 was opened as a specific file type and changing that midway is most
134 likely an evil hack. */
137 void gmx_fio_setdebug(t_fileio *fio, gmx_bool bDebug);
138 /* Set the debug mode */
140 gmx_bool gmx_fio_getdebug(t_fileio *fio);
141 /* Return whether debug mode is on in fio */
143 gmx_bool gmx_fio_getread(t_fileio *fio);
144 /* Return whether read mode is on in fio */
147 void gmx_fio_checktype(t_fileio *fio);
148 /* Check whether the fio is of a sane type */
150 /***************************************************
152 ***************************************************/
154 void gmx_fio_rewind(t_fileio *fio);
155 /* Rewind the tpa file in fio */
158 int gmx_fio_flush(t_fileio *fio);
159 /* Flush the fio, returns 0 on success */
161 int gmx_fio_fsync(t_fileio *fio);
162 /* fsync the fio, returns 0 on success.
163 NOTE: don't use fsync function unless you're absolutely sure you need it
164 because it deliberately interferes with the OS's caching mechanisms and
165 can cause dramatically slowed down IO performance. Some OSes (Linux,
166 for example), may implement fsync as a full sync() point. */
169 gmx_off_t gmx_fio_ftell(t_fileio *fio);
170 /* Return file position if possible */
173 int gmx_fio_seek(t_fileio *fio, gmx_off_t fpos);
174 /* Set file position if possible, quit otherwise */
177 FILE *gmx_fio_getfp(t_fileio *fio);
178 /* Return the file pointer itself */
181 XDR *gmx_fio_getxdr(t_fileio *fio);
182 /* Return the file pointer itself */
188 /* Element with information about position in a currently open file.
189 * gmx_off_t should be defined by autoconf if your system does not have it.
190 * If you do not have it on some other platform you do not have largefile
191 * support at all, and you can define it to int (or better, find out how to
192 * enable large files). */
195 char filename[STRLEN];
197 unsigned char chksum[16];
204 int gmx_fio_check_file_position(t_fileio *fio);
205 /* Check if the file position is out of the range of off_t.
206 * The result is stored along with the other file data of fio.
209 int gmx_fio_get_output_file_positions(gmx_file_position_t ** outputfiles,
211 /* Return the name and file pointer positions for all currently open
212 * output files. This is used for saving in the checkpoint files, so we
213 * can truncate output files upon restart-with-appending.
215 * For the first argument you should use a pointer, which will be set to
216 * point to a list of open files.
219 t_fileio *gmx_fio_all_output_fsync(void);
220 /* fsync all open output files. This is used for checkpointing, where
221 we need to ensure that all output is actually written out to
223 This is most important in the case of some networked file systems,
224 where data is not synced with the file server until close() or
225 fsync(), so data could remain in cache for days.
226 Note the caveats reported with gmx_fio_fsync().
228 returns: NULL if no error occurred, or a pointer to the first file that
229 failed if an error occurred
233 int gmx_fio_get_file_md5(t_fileio *fio, gmx_off_t offset,
234 unsigned char digest[]);
237 int xtc_seek_frame(t_fileio *fio, int frame, int natoms);
240 int xtc_seek_time(t_fileio *fio, real time, int natoms, gmx_bool bSeekForwardOnly);
243 /* Add this to the comment string for debugging */
244 void gmx_fio_set_comment(t_fileio *fio, const char *comment);
246 /* Remove previously set comment */
247 void gmx_fio_unset_comment(t_fileio *fio);
252 /********************************************************
254 ********************************************************/
257 /* basic reading & writing */
258 gmx_bool gmx_fio_reade_real(t_fileio *fio, real *item,
259 const char *desc, const char *srcfile, int line);
260 gmx_bool gmx_fio_reade_float(t_fileio *fio, float *item,
261 const char *desc, const char *srcfile, int line);
262 gmx_bool gmx_fio_reade_double(t_fileio *fio, double *item,
263 const char *desc, const char *srcfile, int line);
264 gmx_bool gmx_fio_reade_int(t_fileio *fio, int *item,
265 const char *desc, const char *srcfile, int line);
266 gmx_bool gmx_fio_reade_gmx_large_int(t_fileio *fio, gmx_large_int_t *item,
267 const char *desc, const char *srcfile, int line);
268 gmx_bool gmx_fio_reade_uchar(t_fileio *fio, unsigned char *item,
269 const char *desc, const char *srcfile, int line);
270 gmx_bool gmx_fio_reade_ushort(t_fileio *fio, unsigned short *item,
271 const char *desc, const char *srcfile, int line);
272 gmx_bool gmx_fio_reade_rvec(t_fileio *fio, rvec *item,
273 const char *desc, const char *srcfile, int line);
274 gmx_bool gmx_fio_reade_ivec(t_fileio *fio, ivec *item,
275 const char *desc, const char *srcfile, int line);
276 gmx_bool gmx_fio_reade_string(t_fileio *fio, char *item,
277 const char *desc, const char *srcfile, int line);
279 gmx_bool gmx_fio_writee_real(t_fileio *fio, real item,
280 const char *desc, const char *srcfile, int line);
281 gmx_bool gmx_fio_writee_float(t_fileio *fio, float item,
282 const char *desc, const char *srcfile, int line);
283 gmx_bool gmx_fio_writee_double(t_fileio *fio, double item,
284 const char *desc, const char *srcfile, int line);
285 gmx_bool gmx_fio_writee_int(t_fileio *fio, int item,
286 const char *desc, const char *srcfile, int line);
287 gmx_bool gmx_fio_writee_gmx_large_int(t_fileio *fio, gmx_large_int_t item,
288 const char *desc, const char *srcfile, int line);
289 gmx_bool gmx_fio_writee_uchar(t_fileio *fio, unsigned char item,
290 const char *desc, const char *srcfile, int line);
291 gmx_bool gmx_fio_writee_ushort(t_fileio *fio, unsigned short item,
292 const char *desc, const char *srcfile, int line);
293 gmx_bool gmx_fio_writee_rvec(t_fileio *fio, rvec *item,
294 const char *desc, const char *srcfile, int line);
295 gmx_bool gmx_fio_writee_ivec(t_fileio *fio, ivec *item,
296 const char *desc, const char *srcfile, int line);
297 gmx_bool gmx_fio_writee_string(t_fileio *fio, const char *item,
298 const char *desc, const char *srcfile, int line);
300 /* reading or writing, depending on the file's opening mode string */
301 gmx_bool gmx_fio_doe_real(t_fileio *fio, real *item,
302 const char *desc, const char *srcfile, int line);
303 gmx_bool gmx_fio_doe_float(t_fileio *fio, float *item,
304 const char *desc, const char *srcfile, int line);
305 gmx_bool gmx_fio_doe_double(t_fileio *fio, double *item,
306 const char *desc, const char *srcfile, int line);
307 gmx_bool gmx_fio_doe_gmx_bool(t_fileio *fio, gmx_bool *item,
308 const char *desc, const char *srcfile, int line);
309 gmx_bool gmx_fio_doe_int(t_fileio *fio, int *item,
310 const char *desc, const char *srcfile, int line);
311 gmx_bool gmx_fio_doe_gmx_large_int(t_fileio *fio, gmx_large_int_t *item,
312 const char *desc, const char *srcfile, int line);
313 gmx_bool gmx_fio_doe_uchar(t_fileio *fio, unsigned char *item,
314 const char *desc, const char *srcfile, int line);
315 gmx_bool gmx_fio_doe_ushort(t_fileio *fio, unsigned short *item,
316 const char *desc, const char *srcfile, int line);
317 gmx_bool gmx_fio_doe_rvec(t_fileio *fio, rvec *item,
318 const char *desc, const char *srcfile, int line);
319 gmx_bool gmx_fio_doe_ivec(t_fileio *fio, ivec *item,
320 const char *desc, const char *srcfile, int line);
321 gmx_bool gmx_fio_doe_string(t_fileio *fio, char *item,
322 const char *desc, const char *srcfile, int line);
327 /* array reading & writing */
328 gmx_bool gmx_fio_nreade_real(t_fileio *fio, real *item, int n,
329 const char *desc, const char *srcfile, int line);
330 gmx_bool gmx_fio_nreade_float(t_fileio *fio, float *item, int n,
331 const char *desc, const char *srcfile, int line);
332 gmx_bool gmx_fio_nreade_double(t_fileio *fio, double *item, int n,
333 const char *desc, const char *srcfile, int line);
334 gmx_bool gmx_fio_nreade_int(t_fileio *fio, int *item, int n,
335 const char *desc, const char *srcfile, int line);
336 gmx_bool gmx_fio_nreade_gmx_large_int(t_fileio *fio, gmx_large_int_t *item, int n,
337 const char *desc, const char *srcfile,
339 gmx_bool gmx_fio_nreade_uchar(t_fileio *fio, unsigned char *item, int n,
340 const char *desc, const char *srcfile, int line);
341 gmx_bool gmx_fio_nreade_ushort(t_fileio *fio, unsigned short *item, int n,
342 const char *desc, const char *srcfile, int line);
343 gmx_bool gmx_fio_nreade_rvec(t_fileio *fio, rvec *item, int n,
344 const char *desc, const char *srcfile, int line);
345 gmx_bool gmx_fio_nreade_ivec(t_fileio *fio, ivec *item, int n,
346 const char *desc, const char *srcfile, int line);
347 gmx_bool gmx_fio_nreade_string(t_fileio *fio, char *item[], int n,
348 const char *desc, const char *srcfile, int line);
350 gmx_bool gmx_fio_nwritee_real(t_fileio *fio, const real *item, int n,
351 const char *desc, const char *srcfile, int line);
352 gmx_bool gmx_fio_nwritee_float(t_fileio *fio, const float *item, int n,
353 const char *desc, const char *srcfile, int line);
354 gmx_bool gmx_fio_nwritee_double(t_fileio *fio, const double *item, int n,
355 const char *desc, const char *srcfile, int line);
356 gmx_bool gmx_fio_nwritee_int(t_fileio *fio, const int *item, int n,
357 const char *desc, const char *srcfile, int line);
358 gmx_bool gmx_fio_nwritee_gmx_large_int(t_fileio *fio,
359 const gmx_large_int_t *item, int n,
360 const char *desc, const char *srcfile,
362 gmx_bool gmx_fio_nwritee_uchar(t_fileio *fio, const unsigned char *item, int n,
363 const char *desc, const char *srcfile, int line);
364 gmx_bool gmx_fio_nwritee_ushort(t_fileio *fio, const unsigned short *item, int n,
365 const char *desc, const char *srcfile, int line);
366 gmx_bool gmx_fio_nwritee_rvec(t_fileio *fio, const rvec *item, int n,
367 const char *desc, const char *srcfile, int line);
368 gmx_bool gmx_fio_nwritee_ivec(t_fileio *fio, const ivec *item, int n,
369 const char *desc, const char *srcfile, int line);
370 gmx_bool gmx_fio_nwritee_string(t_fileio *fio, const char *item[], int n,
371 const char *desc, const char *srcfile, int line);
373 gmx_bool gmx_fio_ndoe_real(t_fileio *fio, real *item, int n,
374 const char *desc, const char *srcfile, int line);
375 gmx_bool gmx_fio_ndoe_float(t_fileio *fio, float *item, int n,
376 const char *desc, const char *srcfile, int line);
377 gmx_bool gmx_fio_ndoe_double(t_fileio *fio, double *item, int n,
378 const char *desc, const char *srcfile, int line);
379 gmx_bool gmx_fio_ndoe_gmx_bool(t_fileio *fio, gmx_bool *item, int n,
380 const char *desc, const char *srcfile, int line);
381 gmx_bool gmx_fio_ndoe_int(t_fileio *fio, int *item, int n,
382 const char *desc, const char *srcfile, int line);
383 gmx_bool gmx_fio_ndoe_gmx_large_int(t_fileio *fio, gmx_large_int_t *item, int n,
384 const char *desc, const char *srcfile,
386 gmx_bool gmx_fio_ndoe_uchar(t_fileio *fio, unsigned char *item, int n,
387 const char *desc, const char *srcfile, int line);
388 gmx_bool gmx_fio_ndoe_ushort(t_fileio *fio, unsigned short *item, int n,
389 const char *desc, const char *srcfile, int line);
390 gmx_bool gmx_fio_ndoe_rvec(t_fileio *fio, rvec *item, int n,
391 const char *desc, const char *srcfile, int line);
392 gmx_bool gmx_fio_ndoe_ivec(t_fileio *fio, ivec *item, int n,
393 const char *desc, const char *srcfile, int line);
394 gmx_bool gmx_fio_ndoe_string(t_fileio *fio, char *item[], int n,
395 const char *desc, const char *srcfile, int line);
399 /* convenience macros */
400 #define gmx_fio_read_real(fio, item) gmx_fio_reade_real(fio, &item, (#item), __FILE__, __LINE__)
401 #define gmx_fio_read_float(fio, item) gmx_fio_reade_float(fio, &item, (#item), __FILE__, __LINE__)
402 #define gmx_fio_read_double(fio, item) gmx_fio_reade_double(fio, &item, (#item), __FILE__, __LINE__)
403 #define gmx_fio_read_int(fio, item) gmx_fio_reade_int(fio, &item, (#item), __FILE__, __LINE__)
404 #define gmx_fio_read_gmx_large_int(fio, item) gmx_fio_reade_gmx_large_int(fio, &item, (#item), __FILE__, __LINE__)
405 #define gmx_fio_read_uchar(fio, item) gmx_fio_reade_uchar(fio, &item, (#item), __FILE__, __LINE__)
406 #define gmx_fio_read_ushort(fio, item) gmx_fio_reade_ushort(fio, &item, (#item), __FILE__, __LINE__)
407 #define gmx_fio_read_rvec(fio, item) gmx_fio_reade_rvec(fio, item, (#item), __FILE__, __LINE__)
408 #define gmx_fio_read_ivec(fio, item) gmx_fio_reade_ivec(fio, item, (#item), __FILE__, __LINE__)
409 #define gmx_fio_read_string(fio, item) gmx_fio_reade_string(fio, item, (#item), __FILE__, __LINE__)
411 #define gmx_fio_write_real(fio, item) gmx_fio_writee_real(fio, item, (#item), __FILE__, __LINE__)
412 #define gmx_fio_write_float(fio, item) gmx_fio_writee_float(fio, item, (#item), __FILE__, __LINE__)
413 #define gmx_fio_write_double(fio, item) gmx_fio_writee_double(fio, item, (#item), __FILE__, __LINE__)
414 #define gmx_fio_write_int(fio, item) gmx_fio_writee_int(fio, item, (#item), __FILE__, __LINE__)
415 #define gmx_fio_write_gmx_large_int(fio, item) gmx_fio_writee_gmx_large_int(fio, item, (#item), __FILE__, __LINE__)
416 #define gmx_fio_write_uchar(fio, item) gmx_fio_writee_uchar(fio, item, (#item), __FILE__, __LINE__)
417 #define gmx_fio_write_ushort(fio, item) gmx_fio_writee_ushort(fio, item, (#item), __FILE__, __LINE__)
418 #define gmx_fio_write_rvec(fio, item) gmx_fio_writee_rvec(fio, item, (#item), __FILE__, __LINE__)
419 #define gmx_fio_write_ivec(fio, item) gmx_fio_writee_ivec(fio, item, (#item), __FILE__, __LINE__)
420 #define gmx_fio_write_string(fio, item) gmx_fio_writee_string(fio, item, (#item), __FILE__, __LINE__)
422 #define gmx_fio_do_real(fio, item) gmx_fio_doe_real(fio, &item, (#item), __FILE__, __LINE__)
423 #define gmx_fio_do_float(fio, item) gmx_fio_doe_float(fio, &item, (#item), __FILE__, __LINE__)
424 #define gmx_fio_do_double(fio, item) gmx_fio_doe_double(fio, &item, (#item), __FILE__, __LINE__)
425 #define gmx_fio_do_gmx_bool(fio, item) gmx_fio_doe_gmx_bool(fio, &item, (#item), __FILE__, __LINE__)
426 #define gmx_fio_do_int(fio, item) gmx_fio_doe_int(fio, &item, (#item), __FILE__, __LINE__)
427 #define gmx_fio_do_gmx_large_int(fio, item) gmx_fio_doe_gmx_large_int(fio, &item, (#item), __FILE__, __LINE__)
428 #define gmx_fio_do_uchar(fio, item) gmx_fio_doe_uchar(fio, &item, (#item), __FILE__, __LINE__)
429 #define gmx_fio_do_ushort(fio, item) gmx_fio_doe_ushort(fio, &item, (#item), __FILE__, __LINE__)
430 #define gmx_fio_do_rvec(fio, item) gmx_fio_doe_rvec(fio, &item, (#item), __FILE__, __LINE__)
431 #define gmx_fio_do_ivec(fio, item) gmx_fio_doe_ivec(fio, &item, (#item), __FILE__, __LINE__)
432 #define gmx_fio_do_string(fio, item) gmx_fio_doe_string(fio, item, (#item), __FILE__, __LINE__)
437 #define gmx_fio_nread_real(fio, item, n) gmx_fio_nreade_real(fio, item, n, (#item), __FILE__, __LINE__)
438 #define gmx_fio_nread_float(fio, item, n) gmx_fio_nreade_float(fio, item, n, (#item), __FILE__, __LINE__)
439 #define gmx_fio_nread_double(fio, item, n) gmx_fio_nreade_double(fio, item, n, (#item), __FILE__, __LINE__)
440 #define gmx_fio_nread_int(fio, item, n) gmx_fio_nreade_int(fio, item, n, (#item), __FILE__, __LINE__)
441 #define gmx_fio_nread_gmx_large_int(fio, item, n) gmx_fio_nreade_gmx_large_int(fio, item, n, (#item), __FILE__, __LINE__)
442 #define gmx_fio_nread_uchar(fio, item, n) gmx_fio_nreade_uchar(fio, item, n, (#item), __FILE__, __LINE__)
443 #define gmx_fio_nread_ushort(fio, item, n) gmx_fio_nreade_ushort(fio, item, n, (#item), __FILE__, __LINE__)
444 #define gmx_fio_nread_rvec(fio, item, n) gmx_fio_nreade_rvec(fio, item, n, (#item), __FILE__, __LINE__)
445 #define gmx_fio_nread_ivec(fio, item, n) gmx_fio_nreade_ivec(fio, item, n, (#item), __FILE__, __LINE__)
446 #define gmx_fio_nread_string(fio, item, n) gmx_fio_nreade_string(fio, item, n, (#item), __FILE__, __LINE__)
448 #define gmx_fio_nwrite_real(fio, item, n) gmx_fio_nwritee_real(fio, item, n, (#item), __FILE__, __LINE__)
449 #define gmx_fio_nwrite_float(fio, item, n) gmx_fio_nwritee_float(fio, item, n, (#item), __FILE__, __LINE__)
450 #define gmx_fio_nwrite_double(fio, item, n) gmx_fio_nwritee_double(fio, item, n, (#item), __FILE__, __LINE__)
451 #define gmx_fio_nwrite_int(fio, item, n) gmx_fio_nwritee_int(fio, item, n, (#item), __FILE__, __LINE__)
452 #define gmx_fio_nwrite_gmx_large_int(fio, item, n) gmx_fio_nwritee_gmx_large_int(fio, item, n, (#item), __FILE__, __LINE__)
453 #define gmx_fio_nwrite_uchar(fio, item, n) gmx_fio_nwritee_uchar(fio, item, n, (#item), __FILE__, __LINE__)
454 #define gmx_fio_nwrite_ushort(fio, item, n) gmx_fio_nwritee_ushort(fio, item, n, (#item), __FILE__, __LINE__)
455 #define gmx_fio_nwrite_rvec(fio, item, n) gmx_fio_nwritee_rvec(fio, item, n, (#item), __FILE__, __LINE__)
456 #define gmx_fio_nwrite_ivec(fio, item, n) gmx_fio_nwritee_ivec(fio, item, n, (#item), __FILE__, __LINE__)
457 #define gmx_fio_nwrite_string(fio, item, n) gmx_fio_nwritee_string(fio, item, n, (#item), __FILE__, __LINE__)
459 #define gmx_fio_ndo_real(fio, item, n) gmx_fio_ndoe_real(fio, item, n, (#item), __FILE__, __LINE__)
460 #define gmx_fio_ndo_float(fio, item, n) gmx_fio_ndoe_float(fio, item, n, (#item), __FILE__, __LINE__)
461 #define gmx_fio_ndo_double(fio, item, n) gmx_fio_ndoe_double(fio, item, n, (#item), __FILE__, __LINE__)
462 #define gmx_fio_ndo_gmx_bool(fio, item, n) gmx_fio_ndoe_gmx_bool(fio, item, n, (#item), __FILE__, __LINE__)
463 #define gmx_fio_ndo_int(fio, item, n) gmx_fio_ndoe_int(fio, item, n, (#item), __FILE__, __LINE__)
464 #define gmx_fio_ndo_gmx_large_int(fio, item, n) gmx_fio_ndoe_gmx_large_int(fio, item, n, (#item), __FILE__, __LINE__)
465 #define gmx_fio_ndo_uchar(fio, item, n) gmx_fio_ndoe_uchar(fio, item, n, (#item), __FILE__, __LINE__)
466 #define gmx_fio_ndo_ushort(fio, item, n) gmx_fio_ndoe_ushort(fio, item, n, (#item), __FILE__, __LINE__)
467 #define gmx_fio_ndo_rvec(fio, item, n) gmx_fio_ndoe_rvec(fio, item, n, (#item), __FILE__, __LINE__)
468 #define gmx_fio_ndo_ivec(fio, item, n) gmx_fio_ndoe_ivec(fio, item, n, (#item), __FILE__, __LINE__)
469 #define gmx_fio_ndo_string(fio, item, n) gmx_fio_ndoe_string(fio, item, n, (#item), __FILE__, __LINE__)