src/gmxlib/selection/selvalue.c

   1 /*
   2  *
   3  *                This source code is part of
   4  *
   5  *                 G   R   O   M   A   C   S
   6  *
   7  *          GROningen MAchine for Chemical Simulations
   8  *
   9  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  10  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  11  * Copyright (c) 2001-2009, The GROMACS development team,
  12  * check out http://www.gromacs.org for more information.
  13
  14  * This program is free software; you can redistribute it and/or
  15  * modify it under the terms of the GNU General Public License
  16  * as published by the Free Software Foundation; either version 2
  17  * of the License, or (at your option) any later version.
  18  *
  19  * If you want to redistribute modifications, please consider that
  20  * scientific software is very special. Version control is crucial -
  21  * bugs must be traceable. We will be happy to consider code for
  22  * inclusion in the official distribution, but derived work must not
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  25  *
  26  * To help us fund GROMACS development, we humbly ask that you cite
  27  * the papers on the package - you can find them in the top README file.
  28  *
  29  * For more info, check our website at http://www.gromacs.org
  30  */
  31 /*! \internal \file
  32  * \brief Implementation of functions in selvalue.h.
  33  */
  34 #ifdef HAVE_CONFIG_H
  35 #include <config.h>
  36 #endif
  37
  38 #include <smalloc.h>
  39
  40 #include <indexutil.h>
  41 #include <position.h>
  42 #include <selvalue.h>
  43
  44 /*!
  45  * \param[out] val  Output structure
  46  *
  47  * The type of \p val is not touched.
  48  * Any contents of \p val are discarded without freeing.
  49  */
  50 void
  51 _gmx_selvalue_clear(gmx_ana_selvalue_t *val)
  52 {
  53     val->nr     = 0;
  54     val->u.ptr  = NULL;
  55     val->nalloc = 0;
  56 }
  57
  58 /*!
  59  * \param[in,out] val  Value structure to allocate.
  60  * \param[in]     n    Maximum number of values needed.
  61  * \returns       Zero on success.
  62  *
  63  * Reserves memory for the values within \p val to store at least \p n values,
  64  * of the type specified in the \p val structure.
  65  *
  66  * If the type is \ref POS_VALUE or \ref GROUP_VALUE, memory is reserved for
  67  * the data structures, but no memory is reserved inside these newly allocated
  68  * data structures.
  69  * Similarly, for \ref STR_VALUE values, the pointers are set to NULL.
  70  * For other values, the memory is uninitialized.
  71  */
  72 int
  73 _gmx_selvalue_reserve(gmx_ana_selvalue_t *val, int n)
  74 {
  75     int  i;
  76
  77     if (val->nalloc == -1)
  78     {
  79         return 0;
  80     }
  81
  82     if (!val->u.ptr || val->nalloc < n)
  83     {
  84         switch (val->type)
  85         {
  86             case INT_VALUE:   srenew(val->u.i, n); break;
  87             case REAL_VALUE:  srenew(val->u.r, n); break;
  88             case STR_VALUE:
  89                 srenew(val->u.s, n);
  90                 for (i = val->nalloc; i < n; ++i)
  91                 {
  92                     val->u.s[i] = NULL;
  93                 }
  94                 break;
  95             case POS_VALUE:
  96                 srenew(val->u.p, n);
  97                 for (i = val->nalloc; i < n; ++i)
  98                 {
  99                     gmx_ana_pos_clear(&val->u.p[i]);
 100                 }
 101                 break;
 102             case GROUP_VALUE:
 103                 srenew(val->u.g, n);
 104                 for (i = val->nalloc; i < n; ++i)
 105                 {
 106                     gmx_ana_index_clear(&val->u.g[i]);
 107                 }
 108                 break;
 109             case NO_VALUE:    break;
 110         }
 111         val->nalloc = n;
 112     }
 113     return 0;
 114 }
 115
 116 /*!
 117  * \param[in,out] val    Value structure to allocate.
 118  * \param[in]     ptr    Pointer where the values should be stored.
 119  * \returns       Zero on success.
 120  *
 121  * Automatic memory management is disabled for \p ptr, unless \p ptr is NULL.
 122  */
 123 int
 124 _gmx_selvalue_setstore(gmx_ana_selvalue_t *val, void *ptr)
 125 {
 126     val->u.ptr  = ptr;
 127     val->nalloc = (ptr ? -1 : 0);
 128     return 0;
 129 }
 130
 131 /*!
 132  * \param[in,out] val    Value structure to allocate.
 133  * \param[in]     ptr    Pointer where the values should be stored.
 134  * \param[in]     nalloc Number of values allocated for \p ptr.
 135  * \returns       Zero on success.
 136  */
 137 int
 138 _gmx_selvalue_setstore_alloc(gmx_ana_selvalue_t *val, void *ptr, int nalloc)
 139 {
 140     val->u.ptr  = ptr;
 141     val->nalloc = nalloc;
 142     return 0;
 143 }