src/gmxlib/gmxfio_asc.c

   1 /* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
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   3  *
   4  *                This source code is part of
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   7  *
   8  *          GROningen MAchine for Chemical Simulations
   9  *
  10  *                        VERSION 3.2.0
  11  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  12  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  13  * Copyright (c) 2001-2004, The GROMACS development team,
  14  * check out http://www.gromacs.org for more information.
  15
  16  * This program is free software; you can redistribute it and/or
  17  * modify it under the terms of the GNU General Public License
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  19  * of the License, or (at your option) any later version.
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  35  */
  36
  37
  38 #ifdef HAVE_CONFIG_H
  39 #include <config.h>
  40 #endif
  41
  42 #include <ctype.h>
  43 #include <stdio.h>
  44 #include <errno.h>
  45 #ifdef HAVE_IO_H
  46 #include <io.h>
  47 #endif
  48
  49 #include "gmx_fatal.h"
  50 #include "macros.h"
  51 #include "smalloc.h"
  52 #include "futil.h"
  53 #include "filenm.h"
  54 #include "string2.h"
  55 #include "gmxfio.h"
  56 #include "md5.h"
  57
  58 #ifdef GMX_THREAD_MPI
  59 #include "thread_mpi.h"
  60 #endif
  61
  62 #include "gmxfio_int.h"
  63
  64
  65 /* This is the part that reads dummy and ascii files.  */
  66
  67
  68
  69
  70 /* file type functions */
  71 static gmx_bool do_ascread(t_fileio *fio, void *item, int nitem, int eio,
  72                        const char *desc, const char *srcfile, int line);
  73 static gmx_bool do_ascwrite(t_fileio *fio, const void *item, int nitem, int eio,
  74                         const char *desc, const char *srcfile, int line);
  75 static gmx_bool do_dummyread(t_fileio *fio, void *item, int nitem, int eio,
  76                          const char *desc, const char *srcfile, int line);
  77 static gmx_bool do_dummywrite(t_fileio *fio, const void *item, int nitem, int eio,
  78                           const char *desc, const char *srcfile, int line);
  79
  80
  81 const t_iotype asc_iotype={do_ascread, do_ascwrite};
  82 const t_iotype dummy_iotype={do_dummyread, do_dummywrite};
  83
  84
  85
  86
  87
  88
  89 static gmx_bool do_dummyread(t_fileio *fio, void *item, int nitem, int eio,
  90                          const char *desc, const char *srcfile, int line)
  91 {
  92     gmx_fatal(FARGS, "File type not set!");
  93     return FALSE;
  94 }
  95
  96 static gmx_bool do_dummywrite(t_fileio *fio, const void *item, int nitem, int eio,
  97                           const char *desc, const char *srcfile, int line)
  98 {
  99     gmx_fatal(FARGS, "File type not set!");
 100     return FALSE;
 101 }
 102
 103
 104
 105 static void encode_string(int maxlen, char dst[], const char src[])
 106 {
 107     int i;
 108
 109     for (i = 0; (src[i] != '\0') && (i < maxlen - 1); i++)
 110         if ((src[i] == ' ') || (src[i] == '\t'))
 111             dst[i] = '_';
 112         else
 113             dst[i] = src[i];
 114     dst[i] = '\0';
 115
 116     if (i == maxlen)
 117         fprintf(stderr, "String '%s' truncated to '%s'\n", src, dst);
 118 }
 119
 120 static void decode_string(int maxlen, char dst[], const char src[])
 121 {
 122     int i;
 123
 124     for (i = 0; (src[i] != '\0') && (i < maxlen - 1); i++)
 125     {
 126         if (src[i] == '_')
 127         {
 128             dst[i] = ' ';
 129         }
 130         else
 131         {
 132             dst[i] = src[i];
 133         }
 134     }
 135     dst[i] = '\0';
 136
 137     if (i == maxlen)
 138     {
 139         fprintf(stderr, "String '%s' truncated to '%s'\n", src, dst);
 140     }
 141 }
 142
 143 static gmx_bool do_ascwrite(t_fileio *fio, const void *item, int nitem, int eio,
 144                         const char *desc, const char *srcfile, int line)
 145 {
 146     int i;
 147     int res = 0, *iptr;
 148     real *ptr;
 149     char strbuf[256];
 150     char buf[GMX_FIO_BUFLEN];
 151     unsigned char *ucptr;
 152     FILE *fp=fio->fp;
 153
 154     gmx_fio_check_nitem(fio, eio, nitem, srcfile, line);
 155     switch (eio)
 156     {
 157     case eioREAL:
 158     case eioFLOAT:
 159     case eioDOUBLE:
 160         res = fprintf(fp, "%18.10e%s\n", *((real *) item),
 161                       gmx_fio_dbgstr(fio, desc, buf));
 162         break;
 163     case eioINT:
 164         res = fprintf(fp, "%18d%s\n", *((int *) item), gmx_fio_dbgstr(fio,
 165                                                                       desc,
 166                                                                       buf));
 167         break;
 168     case eioGMX_LARGE_INT:
 169         sprintf(strbuf, "%s%s%s", "%", gmx_large_int_fmt, "\n");
 170         res = fprintf(fp, strbuf, *((gmx_large_int_t *) item),
 171                       gmx_fio_dbgstr(fio, desc, buf));
 172         break;
 173     case eioUCHAR:
 174         res = fprintf(fp, "%4d%s\n", *((unsigned char *) item),
 175                       gmx_fio_dbgstr(fio, desc, buf));
 176         break;
 177     case eioNUCHAR:
 178         ucptr = (unsigned char *) item;
 179         for (i = 0; (i < nitem); i++)
 180             res = fprintf(fp, "%4d", (int) ucptr[i]);
 181         fprintf(fio->fp, "%s\n", gmx_fio_dbgstr(fio, desc, buf));
 182         break;
 183     case eioUSHORT:
 184         res = fprintf(fp, "%18d%s\n", *((unsigned short *) item),
 185                       gmx_fio_dbgstr(fio, desc, buf));
 186         break;
 187     case eioRVEC:
 188         ptr = (real *) item;
 189         res = fprintf(fp, "%18.10e%18.10e%18.10e%s\n", ptr[XX],
 190                       ptr[YY], ptr[ZZ], gmx_fio_dbgstr(fio, desc, buf));
 191         break;
 192     case eioNRVEC:
 193         for (i = 0; (i < nitem); i++)
 194         {
 195             ptr = ((rvec *) item)[i];
 196             res = fprintf(fp, "%18.10e%18.10e%18.10e%s\n", ptr[XX],
 197                           ptr[YY], ptr[ZZ], gmx_fio_dbgstr(fio, desc, buf));
 198         }
 199         break;
 200     case eioIVEC:
 201         iptr = (int *) item;
 202         res = fprintf(fp, "%18d%18d%18d%s\n", iptr[XX], iptr[YY],
 203                       iptr[ZZ], gmx_fio_dbgstr(fio, desc, buf));
 204         break;
 205     case eioSTRING:
 206         encode_string(256, strbuf, (char *) item);
 207         res = fprintf(fp, "%-18s%s\n", strbuf, gmx_fio_dbgstr(fio, desc, buf));
 208         break;
 209     default:
 210         gmx_fio_fe(fio, eio, desc, srcfile, line);
 211     }
 212     if ((res <= 0) && fio->bDebug)
 213         fprintf(stderr,
 214                 "Error writing %s %s to file %s (source %s, line %d)\n",
 215                 eioNames[eio], desc, fio->fn, srcfile, line);
 216
 217     return (res > 0);
 218 }
 219
 220
 221 static char *next_item(FILE *fp, char *buf, int buflen)
 222 {
 223     int rd;
 224     gmx_bool in_comment = FALSE;
 225     gmx_bool in_token = FALSE;
 226     int i = 0;
 227     /* This routine reads strings from the file fp, strips comment
 228      * and buffers. For thread-safety reasons, It reads through getc()  */
 229
 230     rd = getc(fp);
 231     if (rd == EOF)
 232         gmx_file("End of file");
 233     do
 234     {
 235         if (in_comment)
 236         {
 237             if (rd == '\n')
 238                 in_comment = FALSE;
 239         }
 240         else if (in_token)
 241         {
 242             if (isspace(rd) || rd == ';')
 243                 break;
 244             buf[i++] = (char) rd;
 245         }
 246         else
 247         {
 248             if (!isspace(rd))
 249             {
 250                 if (rd == ';')
 251                     in_comment = TRUE;
 252                 else
 253                 {
 254                     in_token = TRUE;
 255                     buf[i++] = (char) (rd);
 256                 }
 257             }
 258         }
 259         if (i >= buflen - 2)
 260             break;
 261     } while ((rd = getc(fp)) != EOF);
 262
 263     fprintf(stderr, "WARNING, ftpASC file type not tested!\n");
 264
 265     buf[i] = 0;
 266
 267     return buf;
 268 }
 269
 270 static gmx_bool do_ascread(t_fileio *fio, void *item, int nitem, int eio,
 271                        const char *desc, const char *srcfile, int line)
 272 {
 273     FILE *fp = fio->fp;
 274     int i, m, res = 0, *iptr, ix;
 275     gmx_large_int_t s;
 276     double d, x;
 277     real *ptr;
 278     unsigned char uc, *ucptr;
 279     char *cptr;
 280 #define NEXT_ITEM_BUF_LEN 128
 281     char ni_buf[NEXT_ITEM_BUF_LEN];
 282
 283     gmx_fio_check_nitem(fio, eio, nitem, srcfile, line);
 284     switch (eio)
 285     {
 286     case eioREAL:
 287     case eioFLOAT:
 288     case eioDOUBLE:
 289         res = sscanf(next_item(fp, ni_buf, NEXT_ITEM_BUF_LEN), "%lf", &d);
 290         if (item)
 291             *((real *) item) = d;
 292         break;
 293     case eioINT:
 294         res = sscanf(next_item(fp, ni_buf, NEXT_ITEM_BUF_LEN), "%d", &i);
 295         if (item)
 296             *((int *) item) = i;
 297         break;
 298     case eioGMX_LARGE_INT:
 299         res = sscanf(next_item(fp, ni_buf, NEXT_ITEM_BUF_LEN),
 300                      gmx_large_int_pfmt, &s);
 301         if (item)
 302             *((gmx_large_int_t *) item) = s;
 303         break;
 304     case eioUCHAR:
 305         res = sscanf(next_item(fp, ni_buf, NEXT_ITEM_BUF_LEN), "%c", &uc);
 306         if (item)
 307             *((unsigned char *) item) = uc;
 308         break;
 309     case eioNUCHAR:
 310         ucptr = (unsigned char *) item;
 311         for (i = 0; (i < nitem); i++)
 312         {
 313             res = sscanf(next_item(fp, ni_buf, NEXT_ITEM_BUF_LEN), "%d", &ix);
 314             if (item)
 315                 ucptr[i] = ix;
 316         }
 317         break;
 318     case eioUSHORT:
 319         res = sscanf(next_item(fp, ni_buf, NEXT_ITEM_BUF_LEN), "%d", &i);
 320         if (item)
 321             *((unsigned short *) item) = i;
 322         break;
 323     case eioRVEC:
 324         ptr = (real *) item;
 325         for (m = 0; (m < DIM); m++)
 326         {
 327             res = sscanf(next_item(fp, ni_buf, NEXT_ITEM_BUF_LEN), "%lf\n", &x);
 328             ptr[m] = x;
 329         }
 330         break;
 331     case eioNRVEC:
 332         for (i = 0; (i < nitem); i++)
 333         {
 334             ptr = ((rvec *) item)[i];
 335             for (m = 0; (m < DIM); m++)
 336             {
 337                 res = sscanf(next_item(fp, ni_buf, NEXT_ITEM_BUF_LEN), "%lf\n",
 338                              &x);
 339                 if (item)
 340                     ptr[m] = x;
 341             }
 342         }
 343         break;
 344     case eioIVEC:
 345         iptr = (int *) item;
 346         for (m = 0; (m < DIM); m++)
 347         {
 348             res = sscanf(next_item(fp, ni_buf, NEXT_ITEM_BUF_LEN), "%d\n", &ix);
 349             if (item)
 350                 iptr[m] = ix;
 351         }
 352         break;
 353     case eioSTRING:
 354         cptr = next_item(fp, ni_buf, NEXT_ITEM_BUF_LEN);
 355         if (item)
 356         {
 357             decode_string(strlen(cptr) + 1, (char *) item, cptr);
 358             /* res = sscanf(cptr,"%s",(char *)item);*/
 359             res = 1;
 360         }
 361         break;
 362     default:
 363         gmx_fio_fe(fio, eio, desc, srcfile, line);
 364     }
 365
 366     if ((res <= 0) && fio->bDebug)
 367         fprintf(stderr,
 368                 "Error reading %s %s from file %s (source %s, line %d)\n",
 369                 eioNames[eio], desc, fio->fn, srcfile, line);
 370     return (res > 0);
 371 }
 372