Moved pdb2top.h from src/kernel to include to allow external packages to
[gromacs/adressmacs.git] / include / gmxfio.h
blobfe67e969066335ce6d09fc352d58525e955b7d69
1 /*
2 *
3 * This source code is part of
4 *
5 * G R O M A C S
6 *
7 * GROningen MAchine for Chemical Simulations
8 *
9 * VERSION 3.2.0
10 * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
11 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
12 * Copyright (c) 2001-2004, The GROMACS development team,
13 * check out http://www.gromacs.org for more information.
15 * This program is free software; you can redistribute it and/or
16 * modify it under the terms of the GNU General Public License
17 * as published by the Free Software Foundation; either version 2
18 * of the License, or (at your option) any later version.
20 * If you want to redistribute modifications, please consider that
21 * scientific software is very special. Version control is crucial -
22 * bugs must be traceable. We will be happy to consider code for
23 * inclusion in the official distribution, but derived work must not
24 * be called official GROMACS. Details are found in the README & COPYING
25 * files - if they are missing, get the official version at www.gromacs.org.
27 * To help us fund GROMACS development, we humbly ask that you cite
28 * the papers on the package - you can find them in the top README file.
30 * For more info, check our website at http://www.gromacs.org
32 * And Hey:
33 * Gromacs Runs On Most of All Computer Systems
36 #ifndef _gmxfio_h
37 #define _gmxfio_h
39 #ifdef HAVE_CONFIG_H
40 #include <config.h>
41 #endif
43 #include <stdio.h>
44 #include "sysstuff.h"
45 #include "typedefs.h"
46 #include "xdrf.h"
47 #include "futil.h"
49 /* types */
52 /* Enumerated for different items in files */
53 enum { eitemHEADER, eitemIR, eitemBOX,
54 eitemTOP, eitemX, eitemV, eitemF, eitemNR };
56 /* Enumerated for data types in files */
57 enum { eioREAL, eioFLOAT, eioDOUBLE, eioINT, eioGMX_LARGE_INT,
58 eioUCHAR, eioNUCHAR, eioUSHORT,
59 eioRVEC, eioNRVEC, eioIVEC, eioSTRING, eioNR };
61 typedef struct t_fileio t_fileio;
63 extern const char *itemstr[eitemNR];
64 extern const char *comment_str[eitemNR];
66 /* NOTE ABOUT THREAD SAFETY:
68 The functions are all thread-safe, provided that two threads don't
69 do something silly like closing the same file, or one thread
70 accesses a file that has been closed by another.
73 /********************************************************
74 * Open and Close
75 ********************************************************/
77 t_fileio *gmx_fio_open(const char *fn,const char *mode);
78 /* Open a new file for reading or writing.
79 * The file type will be deduced from the file name.
80 * If fn is NULL, stdin / stdout will be used for Ascii I/O (TPA type)
81 * mode may be "r", "w", or "a". You should append a "b" to the mode
82 * if you are writing a binary file, but the routine will also
83 * doublecheck it and try to do it if you forgot. This has no effect on
84 * unix, but is important on windows.
87 int gmx_fio_close(t_fileio *fp);
88 /* Close the file corresponding to fp (if not stdio)
89 * The routine will exit when an invalid fio is handled.
90 * Returns 0 on success.
93 int gmx_fio_fp_close(t_fileio *fp);
94 /* Close the file corresponding to fp without closing the FIO entry
95 * Needed e.g. for trxio because the FIO entries are used to store
96 * additional data.
97 * NOTE that the fp still needs to be properly closed with gmx_fio_close().
98 * The routine will exit when an invalid fio is handled.
99 * Returns 0 on success.
103 /* Open a file, return a stream, record the entry in internal FIO object */
104 FILE* gmx_fio_fopen(const char *fn,const char *mode);
106 /* Close a file previously opened with gmx_fio_fopen.
107 * Do not mix these calls with standard fopen/fclose ones!
108 * Returns 0 on success. */
109 int gmx_fio_fclose(FILE *fp);
113 /********************************************************
114 * Change properties of the open file
115 ********************************************************/
117 extern void gmx_fio_setprecision(t_fileio *fio,bool bDouble);
118 /* Select the floating point precision for reading and writing files */
120 extern char *gmx_fio_getname(t_fileio *fio);
121 /* Return the filename corresponding to the fio index */
123 extern int gmx_fio_getftp(t_fileio *fio);
124 /* Return the filetype corresponding to the fio index.
125 There is as of now no corresponding setftp function because the file
126 was opened as a specific file type and changing that midway is most
127 likely an evil hack. */
129 extern void gmx_fio_setdebug(t_fileio *fio,bool bDebug);
130 /* Set the debug mode */
132 extern bool gmx_fio_getdebug(t_fileio *fio);
133 /* Return whether debug mode is on in fio */
135 extern bool gmx_fio_getread(t_fileio *fio);
136 /* Return whether read mode is on in fio */
139 extern void gmx_fio_checktype(t_fileio *fio);
140 /* Check whether the fio is of a sane type */
142 /***************************************************
143 * FILE Operations
144 ***************************************************/
146 extern void gmx_fio_rewind(t_fileio *fio);
147 /* Rewind the tpa file in fio */
149 int gmx_fio_flush(t_fileio *fio);
150 /* Flush the fio, returns 0 on success */
152 int gmx_fio_fsync(t_fileio *fio);
153 /* fsync the fio, returns 0 on success.
154 NOTE: don't use fsync function unless you're absolutely sure you need it
155 because it deliberately interferes with the OS's caching mechanisms and
156 can cause dramatically slowed down IO performance. Some OSes (Linux,
157 for example), may implement fsync as a full sync() point. */
159 extern gmx_off_t gmx_fio_ftell(t_fileio *fio);
160 /* Return file position if possible */
162 extern int gmx_fio_seek(t_fileio *fio,gmx_off_t fpos);
163 /* Set file position if possible, quit otherwise */
165 extern FILE *gmx_fio_getfp(t_fileio *fio);
166 /* Return the file pointer itself */
168 extern XDR *gmx_fio_getxdr(t_fileio *fio);
169 /* Return the file pointer itself */
175 /* Element with information about position in a currently open file.
176 * gmx_off_t should be defined by autoconf if your system does not have it.
177 * If you do not have it on some other platform you do not have largefile
178 * support at all, and you can define it to int (or better, find out how to
179 * enable large files). */
180 typedef struct
182 char filename[STRLEN];
183 gmx_off_t offset;
184 unsigned char chksum[16];
185 int chksum_size;
187 gmx_file_position_t;
190 int gmx_fio_check_file_position(t_fileio *fio);
191 /* Check if the file position is out of the range of off_t.
192 * The result is stored along with the other file data of fio.
195 int gmx_fio_get_output_file_positions(gmx_file_position_t ** outputfiles,
196 int *nfiles );
197 /* Return the name and file pointer positions for all currently open
198 * output files. This is used for saving in the checkpoint files, so we
199 * can truncate output files upon restart-with-appending.
201 * For the first argument you should use a pointer, which will be set to
202 * point to a list of open files.
205 t_fileio *gmx_fio_all_output_fsync(void);
206 /* fsync all open output files. This is used for checkpointing, where
207 we need to ensure that all output is actually written out to
208 disk.
209 This is most important in the case of some networked file systems,
210 where data is not synced with the file server until close() or
211 fsync(), so data could remain in cache for days.
212 Note the caveats reported with gmx_fio_fsync().
214 returns: NULL if no error occurred, or a pointer to the first file that
215 failed if an error occurred
219 int gmx_fio_get_file_md5(t_fileio *fio, gmx_off_t offset,
220 unsigned char digest[]);
223 extern int xtc_seek_frame(t_fileio *fio, int frame, int natoms);
225 extern int xtc_seek_time(t_fileio *fio, real time, int natoms);
228 /* Add this to the comment string for debugging */
229 extern void gmx_fio_set_comment(t_fileio *fio, const char *comment);
231 /* Remove previously set comment */
232 extern void gmx_fio_unset_comment(t_fileio *fio);
237 /********************************************************
238 * Read and write
239 ********************************************************/
242 /* basic reading & writing */
243 bool gmx_fio_reade_real(t_fileio *fio, real *item,
244 const char *desc, const char *srcfile, int line);
245 bool gmx_fio_reade_float(t_fileio *fio, float *item,
246 const char *desc, const char *srcfile, int line);
247 bool gmx_fio_reade_double(t_fileio *fio, double *item,
248 const char *desc, const char *srcfile, int line);
249 bool gmx_fio_reade_int(t_fileio *fio, int *item,
250 const char *desc, const char *srcfile, int line);
251 bool gmx_fio_reade_gmx_large_int(t_fileio *fio, gmx_large_int_t *item,
252 const char *desc, const char *srcfile, int line);
253 bool gmx_fio_reade_uchar(t_fileio *fio, unsigned char *item,
254 const char *desc, const char *srcfile, int line);
255 bool gmx_fio_reade_ushort(t_fileio *fio, unsigned short *item,
256 const char *desc, const char *srcfile, int line);
257 bool gmx_fio_reade_rvec(t_fileio *fio, rvec *item,
258 const char *desc, const char *srcfile, int line);
259 bool gmx_fio_reade_ivec(t_fileio *fio, ivec *item,
260 const char *desc, const char *srcfile, int line);
261 bool gmx_fio_reade_string(t_fileio *fio, char *item,
262 const char *desc, const char *srcfile, int line);
264 bool gmx_fio_writee_real(t_fileio *fio, real item,
265 const char *desc, const char *srcfile, int line);
266 bool gmx_fio_writee_float(t_fileio *fio, float item,
267 const char *desc, const char *srcfile, int line);
268 bool gmx_fio_writee_double(t_fileio *fio, double item,
269 const char *desc, const char *srcfile, int line);
270 bool gmx_fio_writee_int(t_fileio *fio, int item,
271 const char *desc, const char *srcfile, int line);
272 bool gmx_fio_writee_gmx_large_int(t_fileio *fio, gmx_large_int_t item,
273 const char *desc, const char *srcfile, int line);
274 bool gmx_fio_writee_uchar(t_fileio *fio, unsigned char item,
275 const char *desc, const char *srcfile, int line);
276 bool gmx_fio_writee_ushort(t_fileio *fio, unsigned short item,
277 const char *desc, const char *srcfile, int line);
278 bool gmx_fio_writee_rvec(t_fileio *fio, rvec *item,
279 const char *desc, const char *srcfile, int line);
280 bool gmx_fio_writee_ivec(t_fileio *fio, ivec *item,
281 const char *desc, const char *srcfile, int line);
282 bool gmx_fio_writee_string(t_fileio *fio, const char *item,
283 const char *desc, const char *srcfile, int line);
285 /* reading or writing, depending on the file's opening mode string */
286 bool gmx_fio_doe_real(t_fileio *fio, real *item,
287 const char *desc, const char *srcfile, int line);
288 bool gmx_fio_doe_float(t_fileio *fio, float *item,
289 const char *desc, const char *srcfile, int line);
290 bool gmx_fio_doe_double(t_fileio *fio, double *item,
291 const char *desc, const char *srcfile, int line);
292 bool gmx_fio_doe_bool(t_fileio *fio, bool *item,
293 const char *desc, const char *srcfile, int line);
294 bool gmx_fio_doe_int(t_fileio *fio, int *item,
295 const char *desc, const char *srcfile, int line);
296 bool gmx_fio_doe_gmx_large_int(t_fileio *fio, gmx_large_int_t *item,
297 const char *desc, const char *srcfile, int line);
298 bool gmx_fio_doe_uchar(t_fileio *fio, unsigned char *item,
299 const char *desc, const char *srcfile, int line);
300 bool gmx_fio_doe_ushort(t_fileio *fio, unsigned short *item,
301 const char *desc, const char *srcfile, int line);
302 bool gmx_fio_doe_rvec(t_fileio *fio, rvec *item,
303 const char *desc, const char *srcfile, int line);
304 bool gmx_fio_doe_ivec(t_fileio *fio, ivec *item,
305 const char *desc, const char *srcfile, int line);
306 bool gmx_fio_doe_string(t_fileio *fio, char *item,
307 const char *desc, const char *srcfile, int line);
312 /* array reading & writing */
313 bool gmx_fio_nreade_real(t_fileio *fio, real *item, int n,
314 const char *desc, const char *srcfile, int line);
315 bool gmx_fio_nreade_float(t_fileio *fio, float *item, int n,
316 const char *desc, const char *srcfile, int line);
317 bool gmx_fio_nreade_double(t_fileio *fio, double *item, int n,
318 const char *desc, const char *srcfile, int line);
319 bool gmx_fio_nreade_int(t_fileio *fio, int *item, int n,
320 const char *desc, const char *srcfile, int line);
321 bool gmx_fio_nreade_gmx_large_int(t_fileio *fio, gmx_large_int_t *item, int n,
322 const char *desc, const char *srcfile,
323 int line);
324 bool gmx_fio_nreade_uchar(t_fileio *fio, unsigned char *item, int n,
325 const char *desc, const char *srcfile, int line);
326 bool gmx_fio_nreade_ushort(t_fileio *fio, unsigned short *item, int n,
327 const char *desc, const char *srcfile, int line);
328 bool gmx_fio_nreade_rvec(t_fileio *fio, rvec *item, int n,
329 const char *desc, const char *srcfile, int line);
330 bool gmx_fio_nreade_ivec(t_fileio *fio, ivec *item, int n,
331 const char *desc, const char *srcfile, int line);
332 bool gmx_fio_nreade_string(t_fileio *fio, char *item[], int n,
333 const char *desc, const char *srcfile, int line);
335 bool gmx_fio_nwritee_real(t_fileio *fio, const real *item, int n,
336 const char *desc, const char *srcfile, int line);
337 bool gmx_fio_nwritee_float(t_fileio *fio, const float *item, int n,
338 const char *desc, const char *srcfile, int line);
339 bool gmx_fio_nwritee_double(t_fileio *fio, const double *item, int n,
340 const char *desc, const char *srcfile, int line);
341 bool gmx_fio_nwritee_int(t_fileio *fio, const int *item, int n,
342 const char *desc, const char *srcfile, int line);
343 bool gmx_fio_nwritee_gmx_large_int(t_fileio *fio,
344 const gmx_large_int_t *item, int n,
345 const char *desc, const char *srcfile,
346 int line);
347 bool gmx_fio_nwritee_uchar(t_fileio *fio, const unsigned char *item, int n,
348 const char *desc, const char *srcfile, int line);
349 bool gmx_fio_nwritee_ushort(t_fileio *fio, const unsigned short *item, int n,
350 const char *desc, const char *srcfile, int line);
351 bool gmx_fio_nwritee_rvec(t_fileio *fio, const rvec *item, int n,
352 const char *desc, const char *srcfile, int line);
353 bool gmx_fio_nwritee_ivec(t_fileio *fio, const ivec *item, int n,
354 const char *desc, const char *srcfile, int line);
355 bool gmx_fio_nwritee_string(t_fileio *fio, const char *item[], int n,
356 const char *desc, const char *srcfile, int line);
358 bool gmx_fio_ndoe_real(t_fileio *fio, real *item, int n,
359 const char *desc, const char *srcfile, int line);
360 bool gmx_fio_ndoe_float(t_fileio *fio, float *item, int n,
361 const char *desc, const char *srcfile, int line);
362 bool gmx_fio_ndoe_double(t_fileio *fio, double *item, int n,
363 const char *desc, const char *srcfile, int line);
364 bool gmx_fio_ndoe_bool(t_fileio *fio, bool *item, int n,
365 const char *desc, const char *srcfile, int line);
366 bool gmx_fio_ndoe_int(t_fileio *fio, int *item, int n,
367 const char *desc, const char *srcfile, int line);
368 bool gmx_fio_ndoe_gmx_large_int(t_fileio *fio, gmx_large_int_t *item, int n,
369 const char *desc, const char *srcfile,
370 int line);
371 bool gmx_fio_ndoe_uchar(t_fileio *fio, unsigned char *item, int n,
372 const char *desc, const char *srcfile, int line);
373 bool gmx_fio_ndoe_ushort(t_fileio *fio, unsigned short *item, int n,
374 const char *desc, const char *srcfile, int line);
375 bool gmx_fio_ndoe_rvec(t_fileio *fio, rvec *item, int n,
376 const char *desc, const char *srcfile, int line);
377 bool gmx_fio_ndoe_ivec(t_fileio *fio, ivec *item, int n,
378 const char *desc, const char *srcfile, int line);
379 bool gmx_fio_ndoe_string(t_fileio *fio, char *item[], int n,
380 const char *desc, const char *srcfile, int line);
384 /* convenience macros */
385 #define gmx_fio_read_real(fio, item) gmx_fio_reade_real(fio, &item, (#item), __FILE__, __LINE__)
386 #define gmx_fio_read_float(fio, item) gmx_fio_reade_float(fio, &item, (#item), __FILE__, __LINE__)
387 #define gmx_fio_read_double(fio, item) gmx_fio_reade_double(fio, &item, (#item), __FILE__, __LINE__)
388 #define gmx_fio_read_int(fio, item) gmx_fio_reade_int(fio, &item, (#item), __FILE__, __LINE__)
389 #define gmx_fio_read_gmx_large_int(fio, item) gmx_fio_reade_gmx_large_int(fio, &item, (#item), __FILE__, __LINE__)
390 #define gmx_fio_read_uchar(fio, item) gmx_fio_reade_uchar(fio, &item, (#item), __FILE__, __LINE__)
391 #define gmx_fio_read_ushort(fio, item) gmx_fio_reade_ushort(fio, &item, (#item), __FILE__, __LINE__)
392 #define gmx_fio_read_rvec(fio, item) gmx_fio_reade_rvec(fio, item, (#item), __FILE__, __LINE__)
393 #define gmx_fio_read_ivec(fio, item) gmx_fio_reade_ivec(fio, item, (#item), __FILE__, __LINE__)
394 #define gmx_fio_read_string(fio, item) gmx_fio_reade_string(fio, item, (#item), __FILE__, __LINE__)
396 #define gmx_fio_write_real(fio, item) gmx_fio_writee_real(fio, item, (#item), __FILE__, __LINE__)
397 #define gmx_fio_write_float(fio, item) gmx_fio_writee_float(fio, item, (#item), __FILE__, __LINE__)
398 #define gmx_fio_write_double(fio, item) gmx_fio_writee_double(fio, item, (#item), __FILE__, __LINE__)
399 #define gmx_fio_write_int(fio, item) gmx_fio_writee_int(fio, item, (#item), __FILE__, __LINE__)
400 #define gmx_fio_write_gmx_large_int(fio, item) gmx_fio_writee_gmx_large_int(fio, item, (#item), __FILE__, __LINE__)
401 #define gmx_fio_write_uchar(fio, item) gmx_fio_writee_uchar(fio, item, (#item), __FILE__, __LINE__)
402 #define gmx_fio_write_ushort(fio, item) gmx_fio_writee_ushort(fio, item, (#item), __FILE__, __LINE__)
403 #define gmx_fio_write_rvec(fio, item) gmx_fio_writee_rvec(fio, item, (#item), __FILE__, __LINE__)
404 #define gmx_fio_write_ivec(fio, item) gmx_fio_writee_ivec(fio, item, (#item), __FILE__, __LINE__)
405 #define gmx_fio_write_string(fio, item) gmx_fio_writee_string(fio, item, (#item), __FILE__, __LINE__)
407 #define gmx_fio_do_real(fio, item) gmx_fio_doe_real(fio, &item, (#item), __FILE__, __LINE__)
408 #define gmx_fio_do_float(fio, item) gmx_fio_doe_float(fio, &item, (#item), __FILE__, __LINE__)
409 #define gmx_fio_do_double(fio, item) gmx_fio_doe_double(fio, &item, (#item), __FILE__, __LINE__)
410 #define gmx_fio_do_bool(fio, item) gmx_fio_doe_bool(fio, &item, (#item), __FILE__, __LINE__)
411 #define gmx_fio_do_int(fio, item) gmx_fio_doe_int(fio, &item, (#item), __FILE__, __LINE__)
412 #define gmx_fio_do_gmx_large_int(fio, item) gmx_fio_doe_gmx_large_int(fio, &item, (#item), __FILE__, __LINE__)
413 #define gmx_fio_do_uchar(fio, item) gmx_fio_doe_uchar(fio, &item, (#item), __FILE__, __LINE__)
414 #define gmx_fio_do_ushort(fio, item) gmx_fio_doe_ushort(fio, &item, (#item), __FILE__, __LINE__)
415 #define gmx_fio_do_rvec(fio, item) gmx_fio_doe_rvec(fio, &item, (#item), __FILE__, __LINE__)
416 #define gmx_fio_do_ivec(fio, item) gmx_fio_doe_ivec(fio, &item, (#item), __FILE__, __LINE__)
417 #define gmx_fio_do_string(fio, item) gmx_fio_doe_string(fio, item, (#item), __FILE__, __LINE__)
422 #define gmx_fio_nread_real(fio, item, n) gmx_fio_nreade_real(fio, item, n, (#item), __FILE__, __LINE__)
423 #define gmx_fio_nread_float(fio, item, n) gmx_fio_nreade_float(fio, item, n, (#item), __FILE__, __LINE__)
424 #define gmx_fio_nread_double(fio, item, n) gmx_fio_nreade_double(fio, item, n, (#item), __FILE__, __LINE__)
425 #define gmx_fio_nread_int(fio, item, n) gmx_fio_nreade_int(fio, item, n, (#item), __FILE__, __LINE__)
426 #define gmx_fio_nread_gmx_large_int(fio, item, n) gmx_fio_nreade_gmx_large_int(fio, item, n, (#item), __FILE__, __LINE__)
427 #define gmx_fio_nread_uchar(fio, item, n) gmx_fio_nreade_uchar(fio, item, n, (#item), __FILE__, __LINE__)
428 #define gmx_fio_nread_ushort(fio, item, n) gmx_fio_nreade_ushort(fio, item, n, (#item), __FILE__, __LINE__)
429 #define gmx_fio_nread_rvec(fio, item, n) gmx_fio_nreade_rvec(fio, item, n, (#item), __FILE__, __LINE__)
430 #define gmx_fio_nread_ivec(fio, item, n) gmx_fio_nreade_ivec(fio, item, n, (#item), __FILE__, __LINE__)
431 #define gmx_fio_nread_string(fio, item, n) gmx_fio_nreade_string(fio, item, n, (#item), __FILE__, __LINE__)
433 #define gmx_fio_nwrite_real(fio, item, n) gmx_fio_nwritee_real(fio, item, n, (#item), __FILE__, __LINE__)
434 #define gmx_fio_nwrite_float(fio, item, n) gmx_fio_nwritee_float(fio, item, n, (#item), __FILE__, __LINE__)
435 #define gmx_fio_nwrite_double(fio, item, n) gmx_fio_nwritee_double(fio, item, n, (#item), __FILE__, __LINE__)
436 #define gmx_fio_nwrite_int(fio, item, n) gmx_fio_nwritee_int(fio, item, n, (#item), __FILE__, __LINE__)
437 #define gmx_fio_nwrite_gmx_large_int(fio, item, n) gmx_fio_nwritee_gmx_large_int(fio, item, n, (#item), __FILE__, __LINE__)
438 #define gmx_fio_nwrite_uchar(fio, item, n) gmx_fio_nwritee_uchar(fio, item, n, (#item), __FILE__, __LINE__)
439 #define gmx_fio_nwrite_ushort(fio, item, n) gmx_fio_nwritee_ushort(fio, item, n, (#item), __FILE__, __LINE__)
440 #define gmx_fio_nwrite_rvec(fio, item, n) gmx_fio_nwritee_rvec(fio, item, n, (#item), __FILE__, __LINE__)
441 #define gmx_fio_nwrite_ivec(fio, item, n) gmx_fio_nwritee_ivec(fio, item, n, (#item), __FILE__, __LINE__)
442 #define gmx_fio_nwrite_string(fio, item, n) gmx_fio_nwritee_string(fio, item, n, (#item), __FILE__, __LINE__)
444 #define gmx_fio_ndo_real(fio, item, n) gmx_fio_ndoe_real(fio, item, n, (#item), __FILE__, __LINE__)
445 #define gmx_fio_ndo_float(fio, item, n) gmx_fio_ndoe_float(fio, item, n, (#item), __FILE__, __LINE__)
446 #define gmx_fio_ndo_double(fio, item, n) gmx_fio_ndoe_double(fio, item, n, (#item), __FILE__, __LINE__)
447 #define gmx_fio_ndo_bool(fio, item, n) gmx_fio_ndoe_bool(fio, item, n, (#item), __FILE__, __LINE__)
448 #define gmx_fio_ndo_int(fio, item, n) gmx_fio_ndoe_int(fio, item, n, (#item), __FILE__, __LINE__)
449 #define gmx_fio_ndo_gmx_large_int(fio, item, n) gmx_fio_ndoe_gmx_large_int(fio, item, n, (#item), __FILE__, __LINE__)
450 #define gmx_fio_ndo_uchar(fio, item, n) gmx_fio_ndoe_uchar(fio, item, n, (#item), __FILE__, __LINE__)
451 #define gmx_fio_ndo_ushort(fio, item, n) gmx_fio_ndoe_ushort(fio, item, n, (#item), __FILE__, __LINE__)
452 #define gmx_fio_ndo_rvec(fio, item, n) gmx_fio_ndoe_rvec(fio, item, n, (#item), __FILE__, __LINE__)
453 #define gmx_fio_ndo_ivec(fio, item, n) gmx_fio_ndoe_ivec(fio, item, n, (#item), __FILE__, __LINE__)
454 #define gmx_fio_ndo_string(fio, item, n) gmx_fio_ndoe_string(fio, item, n, (#item), __FILE__, __LINE__)
458 #endif