4 * This source code is part of
8 * GROningen MAchine for Chemical Simulations
12 * Copyright (c) 1991-1999
13 * BIOSON Research Institute, Dept. of Biophysical Chemistry
14 * University of Groningen, The Netherlands
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)
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22 * http://md.chem.rug.nl/~gmx
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33 static char *SRCID_rwtop_h = "$Id$";
40 #ident "@(#) rwtop.h 1.5 12/16/92"
41 #endif /* HAVE_IDENT */
47 * This module handles topolgy manipulation, including (binary) writing
48 * to and reading from a file, freeing the allocated space and textual
49 * representation of the complete topology structure.
52 extern long wr_top(FILE *fp,t_topology *top);
54 * Writes the topology to the file, specified by fp. The function
55 * returns the number of bytes written. The topology is not modified!
58 extern long rd_top(FILE *fp,t_topology *top);
60 * Reads the topology from the file, specified by fp. This will
61 * include allocating the needed space. The function returns the
62 * number of bytes read.
65 extern void rm_top(t_topology *top);
67 * Frees the space allocated by the topology. This is only
68 * guaranteed to work when the same allocation strategy is used as
72 extern void pr_energies(FILE *fp,int indent,char *title,t_energy *e,int n);
74 * This routine prints out a (human) readable representation of
75 * an array of energy structs to the file fp. Ident specifies the
76 * number of spaces the text should be indented. Title is used to
77 * print a header text.
80 extern void pr_inputrec(FILE *fp,int indent,char *title,t_inputrec *ir);
82 * This routine prints out a (human) readable representation of
83 * an input record to the file fp. Ident specifies the number of spaces
84 * the text should be indented. Title is used to print a header text.