include/xdrf.h

   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.
  14
  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.
  19  *
  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.
  26  *
  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.
  29  *
  30  * For more info, check our website at http://www.gromacs.org
  31  *
  32  * And Hey:
  33  * Gromacs Runs On Most of All Computer Systems
  34  */
  35
  36 #ifndef _xdrf_h
  37 #define _xdrf_h
  38
  39
  40 #include <stdio.h>
  41 #include "typedefs.h"
  42
  43 #ifdef __PGI    /*Portland group compiler*/
  44 #define int64_t long long
  45 #endif
  46
  47 #if (defined WIN32 || defined _WIN32 || defined WIN64  || defined _WIN64 || defined __CYGWIN__ || defined __CYGWIN32__ || defined GMX_INTERNAL_XDR)
  48 #include "gmx_system_xdr.h"
  49 #else
  50 #include <rpc/rpc.h>
  51 #include <rpc/xdr.h>
  52 #endif
  53
  54 #ifdef __cplusplus
  55 extern "C" {
  56 #endif
  57
  58
  59 /* THESE 3 FUNCTIONS (xdropen, xdrclose and xdr_get_fp) ARE NOW OBSOLETE
  60    AND ONLY PROVIDED FOR BACKWARD COMPATIBILITY OF 3D PARTY TOOLS.
  61    THEY SHOULD NOT BE USED ANYWHERE IN GROMACS ITSELF.
  62 int xdropen(XDR *xdrs, const char *filename, const char *type);
  63 int xdrclose(XDR *xdrs);
  64 */
  65
  66 /* the xdr data types; note that there is no data type 'real' because
  67    here we deal with the types as they are actually written to disk.  */
  68 typedef enum
  69 {
  70     xdr_datatype_int,
  71     xdr_datatype_float,
  72     xdr_datatype_double,
  73     xdr_datatype_large_int,
  74     xdr_datatype_char,
  75     xdr_datatype_string
  76 } xdr_datatype;
  77
  78 /* names corresponding to the xdr_datatype enum */
  79 extern const char *xdr_datatype_names[];
  80
  81 /* Read or write reduced precision *float* coordinates */
  82 int xdr3dfcoord(XDR *xdrs, float *fp, int *size, float *precision);
  83
  84
  85 /* Read or write a *real* value (stored as float) */
  86 int xdr_real(XDR *xdrs,real *r);
  87
  88
  89 /* Read or write reduced precision *real* coordinates */
  90 int xdr3drcoord(XDR *xdrs,real *fp,int *size,real *precision);
  91
  92
  93 int xdr_gmx_large_int(XDR *xdrs,gmx_large_int_t *i,const char *warn);
  94 /* Read or write a gmx_large_int_t value.
  95  * 32bit code reading a 64bit gmx_large_int_t value from xdrs could
  96  * lead to values out of int range.
  97  * When warn!=NULL a warning will be written to stderr
  98  * when a value does not fit,
  99  * the first line is:
 100  * "WARNING during %s:", where warn is printed in %s.
 101  */
 102
 103 float xdr_xtc_estimate_dt(FILE *fp, XDR *xdrs, int natoms, gmx_bool * bOK);
 104
 105 int xdr_xtc_seek_time(real time, FILE *fp, XDR *xdrs, int natoms);
 106
 107
 108 int xdr_xtc_seek_frame(int frame, FILE *fp, XDR *xdrs, int natoms);
 109
 110
 111 float xdr_xtc_get_last_frame_time(FILE *fp, XDR *xdrs, int natoms, gmx_bool * bOK);
 112
 113
 114 int xdr_xtc_get_last_frame_number(FILE *fp, XDR *xdrs, int natoms, gmx_bool * bOK);
 115
 116 #ifdef __cplusplus
 117 }
 118 #endif
 119
 120 #endif
 121
 122