include/rbin.h

   1 /*
   2  *
   3  *                This source code is part of
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   7  *          GROningen MAchine for Chemical Simulations
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   9  *                        VERSION 3.2.0
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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 _rbin_h
  37 #define _rbin_h
  38
  39 #ifdef HAVE_CONFIG_H
  40 #include <config.h>
  41 #endif
  42
  43 #include "sysstuff.h"
  44 #include "typedefs.h"
  45 #include "network.h"
  46
  47 #ifdef __cplusplus
  48 extern "C" {
  49 #endif
  50
  51 typedef struct {
  52   int    nreal;
  53   int    maxreal;
  54   double *rbuf;
  55 } t_bin;
  56
  57 extern t_bin *mk_bin(void);
  58 /* Create a real bin */
  59
  60 extern void destroy_bin(t_bin *b);
  61 /* Destroy the bin structure */
  62
  63 extern void reset_bin(t_bin *b);
  64 /* Reset number of entries to zero */
  65
  66 extern int add_binr(t_bin *b,int nr,real r[]);
  67 extern int add_bind(t_bin *b,int nr,double r[]);
  68 /* Add reals to the bin. Returns index */
  69
  70 extern void sum_bin(t_bin *b,t_commrec *cr);
  71 /* Globally sum the reals in the bin */
  72
  73 extern void extract_binr(t_bin *b,int index,int nr,real r[]);
  74 extern void extract_bind(t_bin *b,int index,int nr,double r[]);
  75 /* Extract values from the bin, starting from index (see add_bin) */
  76
  77 #ifdef __cplusplus
  78 }
  79 #endif
  80
  81 #endif  /* _rbin_h */