Fixed a bug in the pdb-writing code.
[gromacs.git] / src / kernel / h_db.h
blob8d4cffc7d4a8ec51a2ab4e33d3dbdde0d18cf73f
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 3.1
11 * Copyright (c) 1991-2001, University of Groningen, The Netherlands
12 * This program is free software; you can redistribute it and/or
13 * modify it under the terms of the GNU General Public License
14 * as published by the Free Software Foundation; either version 2
15 * of the License, or (at your option) any later version.
17 * If you want to redistribute modifications, please consider that
18 * scientific software is very special. Version control is crucial -
19 * bugs must be traceable. We will be happy to consider code for
20 * inclusion in the official distribution, but derived work must not
21 * be called official GROMACS. Details are found in the README & COPYING
22 * files - if they are missing, get the official version at www.gromacs.org.
24 * To help us fund GROMACS development, we humbly ask that you cite
25 * the papers on the package - you can find them in the top README file.
27 * For more info, check our website at http://www.gromacs.org
29 * And Hey:
30 * GROningen Mixture of Alchemy and Childrens' Stories
33 #ifndef _h_db_h
34 #define _h_db_h
36 static char *SRCID_h_db_h = "$Id$";
37 #ifdef HAVE_IDENT
38 #ident "@(#) h_db.h 1.10 2/2/97"
39 #endif /* HAVE_IDENT */
40 #include "sysstuff.h"
41 #include "hackblock.h"
43 /* number of control atoms for each 'add' type */
44 extern int ncontrol[];
46 /* functions for the h-database */
48 extern void read_ab(char *line,char *fn,t_hack *ab);
49 /* Read one add block */
51 extern int read_h_db(char *fn,t_hackblock **ah);
52 /* Read the database from file */
54 extern void print_ab(FILE *out,t_hack *ab);
55 /* print one add block */
57 extern void print_h_db(FILE *out,int nh,t_hackblock ah[]);
58 /* Print the database to file */
60 extern int compaddh(const void *a,const void *b);
62 extern t_hackblock *search_h_db(int nh,t_hackblock ah[],char *key);
63 /* Search for an entry in the database */
67 #endif /* _h_db_h */