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.
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  20  * If you want to redistribute modifications, please consider that
  21  * scientific software is very special. Version control is crucial -
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  26  *
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  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 #include "gmx_header_config.h"
  48 #if (defined GMX_NATIVE_WINDOWS || defined GMX_CYGWIN || defined GMX_INTERNAL_XDR)
  49 #include "gmx_system_xdr.h"
  50 #else
  51 #include <rpc/rpc.h>
  52 #include <rpc/xdr.h>
  53 #endif
  54
  55 #ifdef __cplusplus
  56 extern "C" {
  57 #endif
  58
  59
  60 /* THESE 3 FUNCTIONS (xdropen, xdrclose and xdr_get_fp) ARE NOW OBSOLETE
  61    AND ONLY PROVIDED FOR BACKWARD COMPATIBILITY OF 3D PARTY TOOLS.
  62    THEY SHOULD NOT BE USED ANYWHERE IN GROMACS ITSELF.
  63 int xdropen(XDR *xdrs, const char *filename, const char *type);
  64 int xdrclose(XDR *xdrs);
  65 */
  66
  67 /* the xdr data types; note that there is no data type 'real' because
  68    here we deal with the types as they are actually written to disk.  */
  69 typedef enum
  70 {
  71     xdr_datatype_int,
  72     xdr_datatype_float,
  73     xdr_datatype_double,
  74     xdr_datatype_large_int,
  75     xdr_datatype_char,
  76     xdr_datatype_string
  77 } xdr_datatype;
  78
  79 /* names corresponding to the xdr_datatype enum */
  80 extern const char *xdr_datatype_names[];
  81
  82 /* Read or write reduced precision *float* coordinates */
  83 int xdr3dfcoord(XDR *xdrs, float *fp, int *size, float *precision);
  84
  85
  86 /* Read or write a *real* value (stored as float) */
  87 int xdr_real(XDR *xdrs,real *r);
  88
  89
  90 /* Read or write reduced precision *real* coordinates */
  91 int xdr3drcoord(XDR *xdrs,real *fp,int *size,real *precision);
  92
  93
  94 int xdr_gmx_large_int(XDR *xdrs,gmx_large_int_t *i,const char *warn);
  95 /* Read or write a gmx_large_int_t value.
  96  * 32bit code reading a 64bit gmx_large_int_t value from xdrs could
  97  * lead to values out of int range.
  98  * When warn!=NULL a warning will be written to stderr
  99  * when a value does not fit,
 100  * the first line is:
 101  * "WARNING during %s:", where warn is printed in %s.
 102  */
 103
 104 float xdr_xtc_estimate_dt(FILE *fp, XDR *xdrs, int natoms, gmx_bool * bOK);
 105
 106   int xdr_xtc_seek_time(real time, FILE *fp, XDR *xdrs, int natoms,gmx_bool bSeekForwardOnly);
 107
 108
 109 int xdr_xtc_seek_frame(int frame, FILE *fp, XDR *xdrs, int natoms);
 110
 111
 112 float xdr_xtc_get_last_frame_time(FILE *fp, XDR *xdrs, int natoms, gmx_bool * bOK);
 113
 114
 115 int xdr_xtc_get_last_frame_number(FILE *fp, XDR *xdrs, int natoms, gmx_bool * bOK);
 116
 117 #ifdef __cplusplus
 118 }
 119 #endif
 120
 121 #endif
 122
 123