include/rwtop.h

   1 /*
   2  * $Id$
   3  *
   4  *       This source code is part of
   5  *
   6  *        G   R   O   M   A   C   S
   7  *
   8  * GROningen MAchine for Chemical Simulations
   9  *
  10  *               VERSION 2.0
  11  *
  12  * Copyright (c) 1991-1999
  13  * BIOSON Research Institute, Dept. of Biophysical Chemistry
  14  * University of Groningen, The Netherlands
  15  *
  16  * Please refer to:
  17  * GROMACS: A message-passing parallel molecular dynamics implementation
  18  * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
  19  * Comp. Phys. Comm. 91, 43-56 (1995)
  20  *
  21  * Also check out our WWW page:
  22  * http://md.chem.rug.nl/~gmx
  23  * or e-mail to:
  24  * gromacs@chem.rug.nl
  25  *
  26  * And Hey:
  27  * Green Red Orange Magenta Azure Cyan Skyblue
  28  */
  29
  30 #ifndef _rwtop_h
  31 #define _rwtop_h
  32
  33 static char *SRCID_rwtop_h = "$Id$";
  34
  35 #ifdef HAVE_IDENT
  36 #ident  "@(#) rwtop.h 1.5 12/16/92"
  37 #endif /* HAVE_IDENT */
  38
  39 #include <stdio.h>
  40 #include "typedefs.h"
  41
  42 /*
  43  * This module handles topolgy manipulation, including (binary) writing
  44  * to and reading from a file, freeing the allocated space and textual
  45  * representation of the complete topology structure.
  46  */
  47
  48 extern long wr_top(FILE *fp,t_topology *top);
  49 /*
  50  * Writes the topology to the file, specified by fp. The function
  51  * returns the number of bytes written. The topology is not modified!
  52  */
  53
  54 extern long rd_top(FILE *fp,t_topology *top);
  55 /*
  56  * Reads the topology from the file, specified by fp. This will
  57  * include allocating the needed space. The function returns the
  58  * number of bytes read.
  59  */
  60
  61 extern void rm_top(t_topology *top);
  62 /*
  63  * Frees the space allocated by the topology. This is only
  64  * guaranteed to work when the same allocation strategy is used as
  65  * in rd_top().
  66  */
  67
  68 extern void pr_energies(FILE *fp,int indent,char *title,t_energy *e,int n);
  69 /*
  70  * This routine prints out a (human) readable representation of
  71  * an array of energy structs to the file fp. Ident specifies the
  72  * number of spaces the text should be indented. Title is used to
  73  * print a header text.
  74  */
  75
  76 extern void pr_inputrec(FILE *fp,int indent,char *title,t_inputrec *ir);
  77 /*
  78  * This routine prints out a (human) readable representation of
  79  * an input record to the file fp. Ident specifies the number of spaces
  80  * the text should be indented. Title is used to print a header text.
  81  */
  82
  83 #endif  /* _rwtop_h */