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 -
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  26  *
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  28  * the papers on the package - you can find them in the top README file.
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  35
  36 #ifndef _xdrf_h
  37 #define _xdrf_h
  38
  39 #ifdef HAVE_CONFIG_H
  40 #include <config.h>
  41 #endif
  42
  43 #include <stdio.h>
  44 #include "typedefs.h"
  45
  46 #ifdef __PGI    /*Portland group compiler*/
  47 #define int64_t long long
  48 #endif
  49
  50 #if (defined WIN32 || defined _WIN32 || defined WIN64  || defined _WIN64 || defined __CYGWIN__ || defined __CYGWIN32__ || defined GMX_INTERNAL_XDR)
  51 #include "gmx_system_xdr.h"
  52 #else
  53 #include <rpc/rpc.h>
  54 #include <rpc/xdr.h>
  55 #endif
  56
  57 #ifdef __cplusplus
  58 extern "C" {
  59 #endif
  60
  61
  62 /* THESE 3 FUNCTIONS (xdropen, xdrclose and xdr_get_fp) ARE NOW OBSOLETE
  63    AND ONLY PROVIDED FOR BACKWARD COMPATIBILITY OF 3D PARTY TOOLS.
  64    THEY SHOULD NOT BE USED ANYWHERE IN GROMACS ITSELF.
  65 int xdropen(XDR *xdrs, const char *filename, const char *type);
  66 int xdrclose(XDR *xdrs);
  67 */
  68
  69 /* the xdr data types; note that there is no data type 'real' because
  70    here we deal with the types as they are actually written to disk.  */
  71 typedef enum
  72 {
  73     xdr_datatype_int,
  74     xdr_datatype_float,
  75     xdr_datatype_double,
  76     xdr_datatype_large_int,
  77     xdr_datatype_char,
  78     xdr_datatype_string
  79 } xdr_datatype;
  80
  81 /* names corresponding to the xdr_datatype enum */
  82 extern const char *xdr_datatype_names[];
  83
  84 /* Read or write reduced precision *float* coordinates */
  85 int xdr3dfcoord(XDR *xdrs, float *fp, int *size, float *precision, bool bRead);
  86
  87
  88 /* Read or write a *real* value (stored as float) */
  89 int xdr_real(XDR *xdrs,real *r);
  90
  91
  92 /* Read or write reduced precision *real* coordinates */
  93 int xdr3drcoord(XDR *xdrs,real *fp,int *size,real *precision, bool bRead);
  94
  95
  96 extern int xdr_gmx_large_int(XDR *xdrs,gmx_large_int_t *i,const char *warn);
  97 /* Read or write a gmx_large_int_t value.
  98  * 32bit code reading a 64bit gmx_large_int_t value from xdrs could
  99  * lead to values out of int range.
 100  * When warn!=NULL a warning will be written to stderr
 101  * when a value does not fit,
 102  * the first line is:
 103  * "WARNING during %s:", where warn is printed in %s.
 104  */
 105
 106 float xdr_xtc_estimate_dt(FILE *fp, XDR *xdrs, int natoms, bool * bOK);
 107
 108 int xdr_xtc_seek_time(real time, FILE *fp, XDR *xdrs, int natoms);
 109
 110
 111 int xdr_xtc_seek_frame(int frame, FILE *fp, XDR *xdrs, int natoms);
 112
 113
 114 float xdr_xtc_get_last_frame_time(FILE *fp, XDR *xdrs, int natoms, bool * bOK);
 115
 116
 117 int xdr_xtc_get_last_frame_number(FILE *fp, XDR *xdrs, int natoms, bool * bOK);
 118
 119 #ifdef __cplusplus
 120 }
 121 #endif
 122
 123 #endif
 124
 125