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
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  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  *
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  34  */
  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
  70
  71 /* Read or write reduced precision *float* coordinates */
  72 int xdr3dfcoord(XDR *xdrs, float *fp, int *size, float *precision, bool bRead);
  73
  74
  75 /* Read or write a *real* value (stored as float) */
  76 int xdr_real(XDR *xdrs,real *r);
  77
  78
  79 /* Read or write reduced precision *real* coordinates */
  80 int xdr3drcoord(XDR *xdrs,real *fp,int *size,real *precision, bool bRead);
  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 xdr_xtc_estimate_dt(FILE *fp, XDR *xdrs, int natoms, bool * bOK);
  94
  95 int xdr_xtc_seek_time(real time, FILE *fp, XDR *xdrs, int natoms);
  96
  97
  98 int xdr_xtc_seek_frame(int frame, FILE *fp, XDR *xdrs, int natoms);
  99
 100
 101 float xdr_xtc_get_last_frame_time(FILE *fp, XDR *xdrs, int natoms, bool * bOK);
 102
 103
 104 int xdr_xtc_get_last_frame_number(FILE *fp, XDR *xdrs, int natoms, bool * bOK);
 105
 106 #ifdef __cplusplus
 107 }
 108 #endif
 109
 110 #endif
 111
 112