selvalue.h File Reference

#include "gromacs/utility/real.h"

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Description

Declares gmx_ana_selvalue_t.

There should be no need to use the data structures in this file directly unless implementing a custom selection routine.

Author

Teemu Murtola teemu.nosp@m..mur.nosp@m.tola@.nosp@m.gmai.nosp@m.l.com

Classes
struct	gmx_ana_selvalue_t
	Describes a value of a selection expression or of a selection method parameter. More...

Typedefs
typedef struct gmx_ana_selvalue_t	gmx_ana_selvalue_t
	Describes a value of a selection expression or of a selection method parameter. More...

Enumerations
enum	e_selvalue_t {   NO_VALUE, INT_VALUE, REAL_VALUE, STR_VALUE,   POS_VALUE, GROUP_VALUE }
	Defines the value type of a different selection objects. More...

Functions
void	_gmx_selvalue_clear (gmx_ana_selvalue_t *val)
	Initializes an empty selection value structure. More...
void	_gmx_selvalue_free (gmx_ana_selvalue_t *val)
	Frees memory allocated for a selection value structure. More...
void	_gmx_selvalue_reserve (gmx_ana_selvalue_t *val, int n)
	Reserve memory for storing selection values. More...
void	_gmx_selvalue_getstore_and_release (gmx_ana_selvalue_t *val, void **ptr, int *nalloc)
	Gets and releases the memory pointer for storing selection values. More...
void	_gmx_selvalue_setstore (gmx_ana_selvalue_t *val, void *ptr)
	Sets the memory for storing selection values. More...
void	_gmx_selvalue_setstore_alloc (gmx_ana_selvalue_t *val, void *ptr, int nalloc)
	Sets the memory for storing selection values and marks it for automatic freeing. More...

Typedef Documentation

typedef struct gmx_ana_selvalue_t gmx_ana_selvalue_t

Describes a value of a selection expression or of a selection method parameter.

Which field in the union is used depends on the type.

Enumeration Type Documentation

enum e_selvalue_t

Defines the value type of a different selection objects.

Enumerator
NO_VALUE	No value; either an error condition or an 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.

Function Documentation

void _gmx_selvalue_clear

(

gmx_ana_selvalue_t *

val

)

Initializes an empty selection value structure.

Parameters

[out]

val

Output structure

The type of val is not touched. Any contents of val are discarded without freeing.

void _gmx_selvalue_free

(

gmx_ana_selvalue_t *

val

)

Frees memory allocated for a selection value structure.

Parameters

[in,out]

val

Values to free.

The type of val is not touched. If memory is not allocated, the value pointers are simply cleared without freeing.

void _gmx_selvalue_getstore_and_release	(	gmx_ana_selvalue_t *	val,
		void **	ptr,
		int *	nalloc
	)

Gets and releases the memory pointer for storing selection values.

Parameters

[in,out]	val	Value structure to release.
[out]	ptr	Pointer where the values are stored.
[out]	nalloc	Pointer where the values are stored.

Returns the pointer where values of val were stored in ptr and nalloc, and clears the memory in val.

void _gmx_selvalue_reserve	(	gmx_ana_selvalue_t *	val,
		int	n
	)

Reserve memory for storing selection values.

Parameters

[in,out]	val	Value structure to allocate.
[in]	n	Maximum number of values needed.

Reserves memory for the values within val to store at least n values, of the type specified in the val structure.

If the type is POS_VALUE or GROUP_VALUE, memory is reserved for the data structures, but no memory is reserved inside these newly allocated data structures. Similarly, for STR_VALUE values, the pointers are set to NULL. For other values, the memory is uninitialized.

void _gmx_selvalue_setstore	(	gmx_ana_selvalue_t *	val,
		void *	ptr
	)

Sets the memory for storing selection values.

Parameters

[in,out]	val	Value structure to set storage for.
[in]	ptr	Pointer where the values should be stored.

Automatic memory management is disabled for ptr. Asserts if val had a previous storage that it owned, as that would result in a memory leak.

void _gmx_selvalue_setstore_alloc	(	gmx_ana_selvalue_t *	val,
		void *	ptr,
		int	nalloc
	)

Sets the memory for storing selection values and marks it for automatic freeing.

Parameters

[in,out]	val	Value structure to set storage for.
[in]	ptr	Pointer where the values should be stored.
[in]	nalloc	Number of values allocated for ptr.

Asserts if val had a previous storage that it owned, as that would result in a memory leak.