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33 * Declares ::gmx_ana_selvalue_t.
35 * There should be no need to use the data structures in this file directly
36 * unless implementing a custom selection routine.
38 * \author Teemu Murtola <teemu.murtola@cbr.su.se>
39 * \ingroup module_selection
41 #ifndef GMX_SELECTION_SELVALUE_H
42 #define GMX_SELECTION_SELVALUE_H
44 #include "../legacyheaders/types/simple.h"
46 /** Defines the value type of a different selection objects. */
49 NO_VALUE, /**< No value; either an error condition or an boolean
51 INT_VALUE, /**< One or more integer values. */
52 REAL_VALUE, /**< One or more real values. */
53 STR_VALUE, /**< One or more string values. */
54 POS_VALUE, /**< One or more position values. */
55 GROUP_VALUE /**< One group of atoms. */
59 * Describes a value of a selection expression or of a selection method
62 * Which field in the union is used depends on the \p type.
64 typedef struct gmx_ana_selvalue_t
66 /** Type of the value. */
69 * Number of values in the array pointed by the union.
71 * Note that for position and group values, it is the number of
72 * data structures in the array, not the number of positions or
73 * the number of atoms in the group.
76 /** Pointer to the value. */
79 * Generic pointer for operations that do not need type information.
81 * Needs to be the first member to be able to use initialized arrays.
84 /** Integer value(s) (type \ref INT_VALUE). */
86 /** Real value(s) (type \ref REAL_VALUE). */
88 /** String value(s) (type \ref STR_VALUE). */
90 /** Structure for the position value(s) (type \ref POS_VALUE). */
91 struct gmx_ana_pos_t *p;
92 /** Group value (type \ref GROUP_VALUE). */
93 struct gmx_ana_index_t *g;
94 /** Boolean value (only parameters of type \ref NO_VALUE); */
98 * Number of elements allocated for the value array.
101 } gmx_ana_selvalue_t;
103 /** Initializes an empty selection value structure. */
105 _gmx_selvalue_clear(gmx_ana_selvalue_t *val);
106 /** Reserve memory for storing selection values. */
108 _gmx_selvalue_reserve(gmx_ana_selvalue_t *val, int n);
109 /** Sets the memory for storing selection values. */
111 _gmx_selvalue_setstore(gmx_ana_selvalue_t *val, void *ptr);
112 /** Sets the memory for storing selection values and marks it for automatic freeing. */
114 _gmx_selvalue_setstore_alloc(gmx_ana_selvalue_t *val, void *ptr, int nalloc);