include/gmxfio.h

   1 /*
   2  * $Id$
   3  *
   4  *       This source code is part of
   5  *
   6  *        G   R   O   M   A   C   S
   7  *
   8  * GROningen MAchine for Chemical Simulations
   9  *
  10  *               VERSION 2.0
  11  *
  12  * Copyright (c) 1991-1999
  13  * BIOSON Research Institute, Dept. of Biophysical Chemistry
  14  * University of Groningen, The Netherlands
  15  *
  16  * Please refer to:
  17  * GROMACS: A message-passing parallel molecular dynamics implementation
  18  * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
  19  * Comp. Phys. Comm. 91, 43-56 (1995)
  20  *
  21  * Also check out our WWW page:
  22  * http://md.chem.rug.nl/~gmx
  23  * or e-mail to:
  24  * gromacs@chem.rug.nl
  25  *
  26  * And Hey:
  27  * Good ROcking Metal Altar for Chronical Sinners
  28  */
  29
  30 #ifndef _gmxfio_h
  31 #define _gmxfio_h
  32
  33 static char *SRCID_gmxfio_h = "$Id$";
  34
  35 #include "typedefs.h"
  36 #include "xdrf.h"
  37
  38 /* Enumerated for different items in files */
  39 enum { eitemHEADER, eitemIR, eitemBOX,
  40        eitemTOP, eitemX, eitemV, eitemF, eitemNR };
  41
  42 /* Enumerated for data types in files */
  43 enum { eioREAL, eioINT,   eioNUCHAR, eioUSHORT,
  44        eioRVEC, eioNRVEC, eioIVEC,  eioSTRING, eioNR };
  45
  46 /* Functions for reading and writing data */
  47 typedef bool do_func(void *item,int nitem,int eio,
  48                      char *desc,char *srcfile,int line);
  49
  50 /* Global variables defined in gmxfio.h */
  51 extern do_func *do_read;
  52 extern do_func *do_write;
  53 extern char *itemstr[eitemNR];
  54 extern char *comment_str[eitemNR];
  55
  56 /********************************************************
  57  * Open and Close
  58  ********************************************************/
  59
  60 extern int fio_open(char *fn,char *mode);
  61 /* Open a new file for reading or writing.
  62  * The file type will be deduced from the file name.
  63  * If fn is NULL, stdin / stdout will be used for Ascii I/O (TPA type)
  64  * mode may be "r", "w", "a"
  65  */
  66
  67 extern void fio_close(int fp);
  68 /* Close the file corresponding to fp (if not stdio)
  69  * The routine will exit when an invalid fio is handled.
  70  */
  71
  72 extern void fio_select(int fp);
  73 /* This routine sets the global variables do_read and do_write
  74  * to point to the correct routines for fp.
  75  */
  76
  77 /********************************************************
  78  * Change properties of the open file
  79  ********************************************************/
  80
  81 extern void fio_setprecision(int fio,bool bDouble);
  82 /* Select the floating point precision for reading and writing files */
  83
  84 extern char *fio_getname(int fio);
  85 /* Return the filename corresponding to the fio index */
  86
  87 extern int fio_getftp(int fio);
  88 /* Return the filetype corresponding to the fio index */
  89
  90 extern void fio_setftp_fio(int fio,int ftp);
  91 /* And set it */
  92
  93 extern void fio_setdebug(int fio,bool bDebug);
  94 /* Set the debug mode */
  95
  96 extern bool fio_getdebug(int fio);
  97 /* Return  whether debug mode is on in fio  */
  98
  99 extern bool fio_getread(int fio);
 100 /* Return  whether read mode is on in fio  */
 101
 102 /***************************************************
 103  * FILE Operations
 104  ***************************************************/
 105
 106 extern void fio_rewind(int fio);
 107 /* Rewind the tpa file in fio */
 108
 109 extern void fio_flush(int fio);
 110 /* Flush the fio */
 111
 112 extern long fio_ftell(int fio);
 113 /* Return file position if possible */
 114
 115 extern void fio_seek(int fio,long fpos);
 116 /* Set file position if possible, quit otherwise */
 117
 118 extern FILE *fio_getfp(int fio);
 119 /* Return the file pointer itself */
 120
 121 extern XDR *fio_getxdr(int fio);
 122 /* Return the file pointer itself */
 123
 124 extern void set_comment(char *comment);
 125 /* Add this to the comment string for debugging */
 126
 127 extern void unset_comment(void);
 128 /* Remove previously set comment */
 129
 130
 131 /********************************************************
 132  * Dirty C macros... Try this in FORTRAN
 133  * (Oh, and you can do structured programming in C too)
 134  *********************************************************/
 135 #define do_real(item)         (bRead ?\
 136   do_read ((void *)&(item),1,eioREAL,(#item),__FILE__,__LINE__) : \
 137   do_write((void *)&(item),1,eioREAL,(#item),__FILE__,__LINE__))
 138
 139 #define do_int(item)          (bRead ?\
 140   do_read ((void *)&(item),1,eioINT,(#item),__FILE__,__LINE__) :\
 141   do_write((void *)&(item),1,eioINT,(#item),__FILE__,__LINE__))
 142
 143 #define do_nuchar(item,n)     (bRead ?\
 144   do_read ((void *)(item),n,eioNUCHAR,(#item),__FILE__,__LINE__) :\
 145   do_write((void *)(item),n,eioNUCHAR,(#item),__FILE__,__LINE__))
 146
 147 #define do_ushort(item)          (bRead ?\
 148   do_read ((void *)&(item),1,eioUSHORT,(#item),__FILE__,__LINE__) :\
 149   do_write((void *)&(item),1,eioUSHORT,(#item),__FILE__,__LINE__))
 150
 151 #define do_rvec(item)         (bRead ?\
 152   do_read ((void *)(item),1,eioRVEC,(#item),__FILE__,__LINE__) :\
 153   do_write((void *)(item),1,eioRVEC,(#item),__FILE__,__LINE__))
 154
 155 #define do_ivec(item)         (bRead ?\
 156   do_read ((void *)(item),1,eioIVEC,(#item),__FILE__,__LINE__) :\
 157   do_write((void *)(item),1,eioIVEC,(#item),__FILE__,__LINE__))
 158
 159 #define do_string(item)       (bRead ?\
 160   do_read ((void *)(item),1,eioSTRING,(#item),__FILE__,__LINE__) :\
 161   do_write((void *)(item),1,eioSTRING,(#item),__FILE__,__LINE__))
 162
 163 #define ndo_real(item,n,bOK) \
 164   bOK=TRUE;\
 165   for(i=0; (i<n); i++) {\
 166     char buf[128];\
 167     sprintf(buf,"%s[%d]",#item,i);\
 168     bOK = bOK && (bRead ?\
 169       do_read ((void *)&((item)[i]),1,eioREAL,buf,__FILE__,__LINE__):\
 170       do_write((void *)&(item[i]),1,eioREAL,buf,__FILE__,__LINE__));\
 171   }
 172
 173 #define ndo_int(item,n,bOK)  \
 174   bOK=TRUE;\
 175   for(i=0; (i<n); i++) {\
 176     char buf[128];\
 177     sprintf(buf,"%s[%d]",#item,i);\
 178     bOK = bOK && (bRead ?\
 179       do_read ((void *)&(item[i]),1,eioINT,buf,__FILE__,__LINE__):\
 180       do_write((void *)&(item[i]),1,eioINT,buf,__FILE__,__LINE__));\
 181   }
 182
 183 #define ndo_rvec(item,n)      (bRead ?\
 184   do_read ((void *)(item),n,eioNRVEC,(#item),__FILE__,__LINE__) :\
 185   do_write((void *)(item),n,eioNRVEC,(#item),__FILE__,__LINE__))
 186
 187 #define ndo_ivec(item,n,bOK) \
 188   bOK=TRUE;\
 189   for(i=0; (i<n); i++) {\
 190     char buf[128];\
 191     sprintf(buf,"%s[%d]",#item,i);\
 192     bOK = bOK && (bRead ?\
 193       do_read ((void *)(item)[i],1,eioIVEC,buf,__FILE__,__LINE__):\
 194       do_write((void *)(item)[i],1,eioIVEC,buf,__FILE__,__LINE__));\
 195   }
 196
 197 #define ndo_string(item,n,bOK) \
 198   bOK=TRUE;\
 199   for(i=0; (i<n); i++) {\
 200     char buf[128];\
 201     sprintf(buf,"%s[%d]",#item,i);\
 202     bOK = bOK && (bRead ?\
 203       do_read ((void *)(item)[i],1,eioSTRING,buf,__FILE__,__LINE__):\
 204       do_write((void *)(item)[i],1,eioSTRING,buf,__FILE__,__LINE__));\
 205   }
 206
 207 #endif