include/selvalue.h

   1 /*
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  31 /*! \file
  32  * \brief Declaration of \c gmx_ana_selvalue_t.
  33  *
  34  * There should be no need to use the data structures in this file directly
  35  * unless implementing a custom selection routine.
  36  */
  37 #ifndef SELVALUE_H
  38 #define SELVALUE_H
  39
  40 #include "types/simple.h"
  41
  42 #ifdef __cplusplus
  43 extern "C"
  44 {
  45 #endif
  46
  47 /** Defines the value type of a different selection objects. */
  48 typedef enum
  49 {
  50     NO_VALUE,           /**< No value; either an error condition or an gmx_boolean
  51                              parameter. */
  52     INT_VALUE,          /**< One or more integer values. */
  53     REAL_VALUE,         /**< One or more real values. */
  54     STR_VALUE,          /**< One or more string values. */
  55     POS_VALUE,          /**< One or more position values. */
  56     GROUP_VALUE         /**< One group of atoms. */
  57 } e_selvalue_t;
  58
  59 /*! \brief
  60  * Describes a value of a selection expression or of a selection method
  61  * parameter.
  62  *
  63  * Which field in the union is used depends on the \p type.
  64  */
  65 typedef struct gmx_ana_selvalue_t
  66 {
  67     /** Type of the value. */
  68     e_selvalue_t                type;
  69     /*! \brief
  70      * Number of values in the array pointed by the union.
  71      *
  72      * Note that for position and group values, it is the number of
  73      * data structures in the array, not the number of positions or
  74      * the number of atoms in the group.
  75      */
  76     int                         nr;
  77     /** Pointer to the value. */
  78     union {
  79         /*! \brief
  80          * Generic pointer for operations that do not need type information.
  81          *
  82          * Needs to be the first member to be able to use initialized arrays.
  83          */
  84         void                   *ptr;
  85         /** Integer value(s) (type \ref INT_VALUE). */
  86         int                    *i;
  87         /** Real value(s) (type \ref REAL_VALUE). */
  88         real                   *r;
  89         /** String value(s) (type \ref STR_VALUE). */
  90         char                  **s;
  91         /** Structure for the position value(s) (type \ref POS_VALUE). */
  92         struct gmx_ana_pos_t   *p;
  93         /** Group value (type \ref GROUP_VALUE). */
  94         struct gmx_ana_index_t *g;
  95         /** Boolean value (only parameters of type \ref NO_VALUE); */
  96         gmx_bool                   *b;
  97     }                           u;
  98     /*! \brief
  99      * Number of elements allocated for the value array.
 100      */
 101     int                         nalloc;
 102 } gmx_ana_selvalue_t;
 103
 104 /** Initializes an empty selection value structure. */
 105 void
 106 _gmx_selvalue_clear(gmx_ana_selvalue_t *val);
 107 /** Reserve memory for storing selection values. */
 108 int
 109 _gmx_selvalue_reserve(gmx_ana_selvalue_t *val, int n);
 110 /** Sets the memory for storing selection values. */
 111 int
 112 _gmx_selvalue_setstore(gmx_ana_selvalue_t *val, void *ptr);
 113 /** Sets the memory for storing selection values and marks it for automatic freeing. */
 114 int
 115 _gmx_selvalue_setstore_alloc(gmx_ana_selvalue_t *val, void *ptr, int nalloc);
 116
 117 #ifdef __cplusplus
 118 }
 119 #endif
 120
 121 #endif