gromacs-dev 4.6.5-1build1 / usr / include / gromacs / selvalue.h

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/*! \file
 * \brief Declaration of \c gmx_ana_selvalue_t.
 *
 * There should be no need to use the data structures in this file directly
 * unless implementing a custom selection routine.
 */
#ifndef SELVALUE_H
#define SELVALUE_H

#include "types/simple.h"

#ifdef __cplusplus
extern "C"
{
#endif

/** Defines the value type of a different selection objects. */
typedef enum
{
    NO_VALUE,           /**< No value; either an error condition or an gmx_boolean
                             parameter. */
    INT_VALUE,          /**< One or more integer values. */
    REAL_VALUE,         /**< One or more real values. */
    STR_VALUE,          /**< One or more string values. */
    POS_VALUE,          /**< One or more position values. */
    GROUP_VALUE         /**< One group of atoms. */
} e_selvalue_t;

/*! \brief
 * Describes a value of a selection expression or of a selection method
 * parameter.
 *
 * Which field in the union is used depends on the \p type.
 */
typedef struct gmx_ana_selvalue_t
{
    /** Type of the value. */
    e_selvalue_t                type;
    /*! \brief
     * Number of values in the array pointed by the union.
     *
     * Note that for position and group values, it is the number of
     * data structures in the array, not the number of positions or
     * the number of atoms in the group.
     */
    int                         nr;
    /** Pointer to the value. */
    union {
        /*! \brief
         * Generic pointer for operations that do not need type information.
         *
         * Needs to be the first member to be able to use initialized arrays.
         */
        void                       *ptr;
        /** Integer value(s) (type \ref INT_VALUE). */
        int                        *i;
        /** Real value(s) (type \ref REAL_VALUE). */
        real                       *r;
        /** String value(s) (type \ref STR_VALUE). */
        char                      **s;
        /** Structure for the position value(s) (type \ref POS_VALUE). */
        struct gmx_ana_pos_t       *p;
        /** Group value (type \ref GROUP_VALUE). */
        struct gmx_ana_index_t     *g;
        /** Boolean value (only parameters of type \ref NO_VALUE); */
        gmx_bool                   *b;
    }                           u;
    /*! \brief
     * Number of elements allocated for the value array.
     */
    int                         nalloc;
} gmx_ana_selvalue_t;

/** Initializes an empty selection value structure. */
void
_gmx_selvalue_clear(gmx_ana_selvalue_t *val);
/** Reserve memory for storing selection values. */
int
_gmx_selvalue_reserve(gmx_ana_selvalue_t *val, int n);
/** Sets the memory for storing selection values. */
int
_gmx_selvalue_setstore(gmx_ana_selvalue_t *val, void *ptr);
/** Sets the memory for storing selection values and marks it for automatic freeing. */
int
_gmx_selvalue_setstore_alloc(gmx_ana_selvalue_t *val, void *ptr, int nalloc);

#ifdef __cplusplus
}
#endif

#endif