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
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  18  * of the License, or (at your option) any later version.
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  21  * scientific software is very special. Version control is crucial -
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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 int
  58 xdropen(XDR *xdrs, const char *filename, const char *type);
  59
  60
  61 int
  62 xdrclose(XDR *xdrs);
  63
  64 FILE *
  65 xdr_get_fp(int xdrid);
  66
  67
  68 /* Read or write reduced precision *float* coordinates */
  69 int
  70 xdr3dfcoord(XDR *xdrs, float *fp, int *size, float *precision);
  71
  72
  73 /* Read or write a *real* value (stored as float) */
  74 int
  75 xdr_real(XDR *xdrs,real *r);
  76
  77
  78 /* Read or write reduced precision *real* coordinates */
  79 int
  80 xdr3drcoord(XDR *xdrs,real *fp,int *size,real *precision);
  81
  82
  83 extern int xdr_gmx_large_int(XDR *xdrs,gmx_large_int_t *i,const char *warn);
  84 /* Read or write a gmx_large_int_t value.
  85  * 32bit code reading a 64bit gmx_large_int_t value from xdrs could
  86  * lead to values out of int range.
  87  * When warn!=NULL a warning will be written to stderr
  88  * when a value does not fit,
  89  * the first line is:
  90  * "WARNING during %s:", where warn is printed in %s.
  91  */
  92
  93 float
  94 xdr_xtc_estimate_dt(FILE *fp, XDR *xdrs, int natoms, bool * bOK);
  95
  96 int
  97 xdr_xtc_seek_time(real time, FILE *fp, XDR *xdrs, int natoms);
  98
  99
 100 int
 101 xdr_xtc_seek_frame(int frame, FILE *fp, XDR *xdrs, int natoms);
 102
 103
 104 float
 105 xdr_xtc_get_last_frame_time(FILE *fp, XDR *xdrs, int natoms, bool * bOK);
 106
 107
 108 int
 109 xdr_xtc_get_last_frame_number(FILE *fp, XDR *xdrs, int natoms, bool * bOK);
 110
 111 #endif
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