src/kernel/h_db.h

   1 /*
   2  *
   3  *                This source code is part of
   4  *
   5  *                 G   R   O   M   A   C   S
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   7  *          GROningen MAchine for Chemical Simulations
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   9  *                        VERSION 3.2.0
  10  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
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  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
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  35
  36 #ifndef _h_db_h
  37 #define _h_db_h
  38
  39 #include "sysstuff.h"
  40 #include "hackblock.h"
  41
  42 /* number of control atoms for each 'add' type */
  43 extern const int ncontrol[];
  44
  45 /* functions for the h-database */
  46
  47 extern void read_ab(char *line,const char *fn,t_hack *ab);
  48 /* Read one add block */
  49
  50 extern int read_h_db(const char *ffdir,t_hackblock **ah);
  51 /* Read the database from hdb file(s) in ffdir or current dir */
  52
  53 extern void print_ab(FILE *out,t_hack *ab,char *nname);
  54 /* print one add block */
  55
  56 extern void print_h_db(FILE *out,int nh,t_hackblock ah[]);
  57 /* Print the database to file */
  58
  59 extern int compaddh(const void *a,const void *b);
  60
  61 extern t_hackblock *search_h_db(int nh,t_hackblock ah[],char *key);
  62 /* Search for an entry in the database */
  63
  64
  65
  66 #endif  /* _h_db_h */