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/*
*
* This source code is part of
*
* G R O M A C S
*
* GROningen MAchine for Chemical Simulations
*
* Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2009, The GROMACS development team,
* check out http://www.gromacs.org for more information.
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* of the License, or (at your option) any later version.
*
* If you want to redistribute modifications, please consider that
* scientific software is very special. Version control is crucial -
* bugs must be traceable. We will be happy to consider code for
* inclusion in the official distribution, but derived work must not
* be called official GROMACS. Details are found in the README & COPYING
* files - if they are missing, get the official version at www.gromacs.org.
*
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
*
* For more info, check our website at http://www.gromacs.org
*/
/*! \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
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