/usr/include/gromacs/gmx

/*
 * This file is part of the GROMACS molecular simulation package.
 *
 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
 * Copyright (c) 2001-2012, The GROMACS development team,
 * check out http://www.gromacs.org for more information.
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 * David van der Spoel, Berk Hess, Erik Lindahl, and including many
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 */
#ifndef _gmx_hash_h
#define _gmx_hash_h

#include "typedefs.h"
#include "smalloc.h"

#ifdef __cplusplus
extern "C" {
#endif

/* This include file implements the simplest hash table possible.
 * It is limited to integer keys and integer values.
 * The purpose is highest efficiency and lowest memory usage possible.
 *
 * The type definition is placed in types/commrec.h, as it is used there:
 * typedef struct gmx_hash *gmx_hash_t
 */

typedef struct {
    int  key;
    int  val;
    int  next;
} gmx_hash_e_t;

typedef struct gmx_hash {
    int           mod;
    int           mask;
    int           nalloc;
    int          *direct;
    gmx_hash_e_t *hash;
    int           nkey;
    int           start_space_search;
} t_gmx_hash;

/* Clear all the entries in the hash table */
static void gmx_hash_clear(gmx_hash_t hash)
{
    int i;

    for (i = 0; i < hash->nalloc; i++)
    {
        hash->hash[i].key  = -1;
        hash->hash[i].next = -1;
    }
    hash->start_space_search = hash->mod;

    hash->nkey = 0;
}

static void gmx_hash_realloc(gmx_hash_t hash, int nkey_used_estimate)
{
    /* Memory requirements:
     * nkey_used_est*(2+1-2(1-e^-1/2))*3 ints
     * where nkey_used_est is the local number of keys used.
     *
     * Make the direct list twice as long as the number of local keys.
     * The fraction of entries in the list with:
     * 0   size lists: e^-f
     * >=1 size lists: 1 - e^-f
     * where f is: the #keys / mod
     * The fraction of keys not in the direct list is: 1-1/f(1-e^-f).
     * The optimal table size is roughly double the number of keys.
     */
    /* Make the hash table a power of 2 and at least double the number of keys */
    hash->mod = 4;
    while (2*nkey_used_estimate > hash->mod)
    {
        hash->mod *= 2;
    }
    hash->mask   = hash->mod - 1;
    hash->nalloc = over_alloc_dd(hash->mod);
    srenew(hash->hash, hash->nalloc);

    if (debug != NULL)
    {
        fprintf(debug, "Hash table mod %d nalloc %d\n", hash->mod, hash->nalloc);
    }
}

/* Clear all the entries in the hash table.
 * With the current number of keys check if the table size is still good,
 * if not optimize it with the currenr number of keys.
 */
static void gmx_hash_clear_and_optimize(gmx_hash_t hash)
{
    /* Resize the hash table when the occupation is < 1/4 or > 2/3 */
    if (hash->nkey > 0 &&
        (4*hash->nkey < hash->mod || 3*hash->nkey > 2*hash->mod))
    {
        if (debug != NULL)
        {
            fprintf(debug, "Hash table size %d #key %d: resizing\n",
                    hash->mod, hash->nkey);
        }
        gmx_hash_realloc(hash, hash->nkey);
    }

    gmx_hash_clear(hash);
}

static gmx_hash_t gmx_hash_init(int nkey_used_estimate)
{
    gmx_hash_t hash;

    snew(hash, 1);
    hash->hash = NULL;

    gmx_hash_realloc(hash, nkey_used_estimate);

    gmx_hash_clear(hash);

    return hash;
}

/* Set the hash entry for global atom a_gl to local atom a_loc and cell. */
static void gmx_hash_set(gmx_hash_t hash, int key, int value)
{
    int ind, ind_prev, i;

    ind = key & hash->mask;

    if (hash->hash[ind].key >= 0)
    {
        /* Search the last entry in the linked list for this index */
        ind_prev = ind;
        while (hash->hash[ind_prev].next >= 0)
        {
            ind_prev = hash->hash[ind_prev].next;
        }
        /* Search for space in the array */
        ind = hash->start_space_search;
        while (ind < hash->nalloc && hash->hash[ind].key >= 0)
        {
            ind++;
        }
        /* If we are at the end of the list we need to increase the size */
        if (ind == hash->nalloc)
        {
            hash->nalloc = over_alloc_dd(ind+1);
            srenew(hash->hash, hash->nalloc);
            for (i = ind; i < hash->nalloc; i++)
            {
                hash->hash[i].key  = -1;
                hash->hash[i].next = -1;
            }
        }
        hash->hash[ind_prev].next = ind;

        hash->start_space_search = ind + 1;
    }
    hash->hash[ind].key = key;
    hash->hash[ind].val = value;

    hash->nkey++;
}

/* Delete the hash entry for key */
static void gmx_hash_del(gmx_hash_t hash, int key)
{
    int ind, ind_prev;

    ind_prev = -1;
    ind      = key & hash->mask;
    do
    {
        if (hash->hash[ind].key == key)
        {
            if (ind_prev >= 0)
            {
                hash->hash[ind_prev].next = hash->hash[ind].next;

                /* This index is a linked entry, so we free an entry.
                 * Check if we are creating the first empty space.
                 */
                if (ind < hash->start_space_search)
                {
                    hash->start_space_search = ind;
                }
            }
            hash->hash[ind].key  = -1;
            hash->hash[ind].val  = -1;
            hash->hash[ind].next = -1;

            hash->nkey--;

            return;
        }
        ind_prev = ind;
        ind      = hash->hash[ind].next;
    }
    while (ind >= 0);

    return;
}

/* Change the value for present hash entry for key */
static void gmx_hash_change_value(gmx_hash_t hash, int key, int value)
{
    int ind;

    ind = key & hash->mask;
    do
    {
        if (hash->hash[ind].key == key)
        {
            hash->hash[ind].val = value;

            return;
        }
        ind = hash->hash[ind].next;
    }
    while (ind >= 0);

    return;
}

/* Change the hash value if already set, otherwise set the hash value */
static void gmx_hash_change_or_set(gmx_hash_t hash, int key, int value)
{
    int ind;

    ind = key & hash->mask;
    do
    {
        if (hash->hash[ind].key == key)
        {
            hash->hash[ind].val = value;

            return;
        }
        ind = hash->hash[ind].next;
    }
    while (ind >= 0);

    gmx_hash_set(hash, key, value);

    return;
}

/* Returns if the key is present, if the key is present *value is set */
static gmx_bool gmx_hash_get(const gmx_hash_t hash, int key, int *value)
{
    int ind;

    ind = key & hash->mask;
    do
    {
        if (hash->hash[ind].key == key)
        {
            *value = hash->hash[ind].val;

            return TRUE;
        }
        ind = hash->hash[ind].next;
    }
    while (ind >= 0);

    return FALSE;
}

/* Returns the value or -1 if the key is not present */
static int gmx_hash_get_minone(const gmx_hash_t hash, int key)
{
    int ind;

    ind = key & hash->mask;
    do
    {
        if (hash->hash[ind].key == key)
        {
            return hash->hash[ind].val;
        }
        ind = hash->hash[ind].next;
    }
    while (ind >= 0);

    return -1;
}

#ifdef __cplusplus
}
#endif

#endif /* _gmx_hash_h */
gromacs-dev 4.6.5-1build1 / usr / include / gromacs / gmx_hash.h
