include/h_db.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  * Good ROcking Metal Altar for Chronical Sinners
  28  */
  29
  30 #ifndef _h_db_h
  31 #define _h_db_h
  32
  33 static char *SRCID_h_db_h = "$Id$";
  34
  35 #ifdef HAVE_IDENT
  36 #ident  "@(#) h_db.h 1.10 2/2/97"
  37 #endif /* HAVE_IDENT */
  38 #include "sysstuff.h"
  39 #include "hackblock.h"
  40
  41 /* number of control atoms for each 'add' type */
  42 extern int ncontrol[];
  43
  44 /* functions for the h-database */
  45
  46 extern void read_ab(char *line,char *fn,t_hack *ab);
  47 /* Read one add block */
  48
  49 extern int read_h_db(char *fn,t_hackblock **ah);
  50 /* Read the database from file */
  51
  52 extern void print_ab(FILE *out,t_hack *ab);
  53 /* print one add block */
  54
  55 extern void print_h_db(FILE *out,int nh,t_hackblock ah[]);
  56 /* Print the database to file */
  57
  58 extern int compaddh(const void *a,const void *b);
  59
  60 extern t_hackblock *search_h_db(int nh,t_hackblock ah[],char *key);
  61 /* Search for an entry in the database */
  62
  63
  64
  65 #endif  /* _h_db_h */