include/selvalue.h

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  38 /*! \file
  39  * \brief Declaration of \c gmx_ana_selvalue_t.
  40  *
  41  * There should be no need to use the data structures in this file directly
  42  * unless implementing a custom selection routine.
  43  */
  44 #ifndef SELVALUE_H
  45 #define SELVALUE_H
  46
  47 #include "types/simple.h"
  48
  49 #ifdef __cplusplus
  50 extern "C"
  51 {
  52 #endif
  53
  54 /** Defines the value type of a different selection objects. */
  55 typedef enum
  56 {
  57     NO_VALUE,           /**< No value; either an error condition or an gmx_boolean
  58                              parameter. */
  59     INT_VALUE,          /**< One or more integer values. */
  60     REAL_VALUE,         /**< One or more real values. */
  61     STR_VALUE,          /**< One or more string values. */
  62     POS_VALUE,          /**< One or more position values. */
  63     GROUP_VALUE         /**< One group of atoms. */
  64 } e_selvalue_t;
  65
  66 /*! \brief
  67  * Describes a value of a selection expression or of a selection method
  68  * parameter.
  69  *
  70  * Which field in the union is used depends on the \p type.
  71  */
  72 typedef struct gmx_ana_selvalue_t
  73 {
  74     /** Type of the value. */
  75     e_selvalue_t                type;
  76     /*! \brief
  77      * Number of values in the array pointed by the union.
  78      *
  79      * Note that for position and group values, it is the number of
  80      * data structures in the array, not the number of positions or
  81      * the number of atoms in the group.
  82      */
  83     int                         nr;
  84     /** Pointer to the value. */
  85     union {
  86         /*! \brief
  87          * Generic pointer for operations that do not need type information.
  88          *
  89          * Needs to be the first member to be able to use initialized arrays.
  90          */
  91         void                       *ptr;
  92         /** Integer value(s) (type \ref INT_VALUE). */
  93         int                        *i;
  94         /** Real value(s) (type \ref REAL_VALUE). */
  95         real                       *r;
  96         /** String value(s) (type \ref STR_VALUE). */
  97         char                      **s;
  98         /** Structure for the position value(s) (type \ref POS_VALUE). */
  99         struct gmx_ana_pos_t       *p;
 100         /** Group value (type \ref GROUP_VALUE). */
 101         struct gmx_ana_index_t     *g;
 102         /** Boolean value (only parameters of type \ref NO_VALUE); */
 103         gmx_bool                   *b;
 104     }                           u;
 105     /*! \brief
 106      * Number of elements allocated for the value array.
 107      */
 108     int                         nalloc;
 109 } gmx_ana_selvalue_t;
 110
 111 /** Initializes an empty selection value structure. */
 112 void
 113 _gmx_selvalue_clear(gmx_ana_selvalue_t *val);
 114 /** Reserve memory for storing selection values. */
 115 int
 116 _gmx_selvalue_reserve(gmx_ana_selvalue_t *val, int n);
 117 /** Sets the memory for storing selection values. */
 118 int
 119 _gmx_selvalue_setstore(gmx_ana_selvalue_t *val, void *ptr);
 120 /** Sets the memory for storing selection values and marks it for automatic freeing. */
 121 int
 122 _gmx_selvalue_setstore_alloc(gmx_ana_selvalue_t *val, void *ptr, int nalloc);
 123
 124 #ifdef __cplusplus
 125 }
 126 #endif
 127
 128 #endif