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39 * \brief Declaration of \c gmx_ana_selvalue_t.
41 * There should be no need to use the data structures in this file directly
42 * unless implementing a custom selection routine.
47 #include "types/simple.h"
54 /** Defines the value type of a different selection objects. */
57 NO_VALUE
, /**< No value; either an error condition or an gmx_boolean
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. */
67 * Describes a value of a selection expression or of a selection method
70 * Which field in the union is used depends on the \p type.
72 typedef struct gmx_ana_selvalue_t
74 /** Type of the value. */
77 * Number of values in the array pointed by the union.
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.
84 /** Pointer to the value. */
87 * Generic pointer for operations that do not need type information.
89 * Needs to be the first member to be able to use initialized arrays.
92 /** Integer value(s) (type \ref INT_VALUE). */
94 /** Real value(s) (type \ref REAL_VALUE). */
96 /** String value(s) (type \ref STR_VALUE). */
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); */
106 * Number of elements allocated for the value array.
109 } gmx_ana_selvalue_t
;
111 /** Initializes an empty selection value structure. */
113 _gmx_selvalue_clear(gmx_ana_selvalue_t
*val
);
114 /** Reserve memory for storing selection values. */
116 _gmx_selvalue_reserve(gmx_ana_selvalue_t
*val
, int n
);
117 /** Sets the memory for storing selection values. */
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. */
122 _gmx_selvalue_setstore_alloc(gmx_ana_selvalue_t
*val
, void *ptr
, int nalloc
);