gmx_ana_selmethod_t Struct Reference

#include <gromacs/selection/selmethod.h>

Collaboration diagram for gmx_ana_selmethod_t:

Description

Describes a selection method.

Any of the function pointers except the update call can be NULL if the operation is not required or not supported. In this case, corresponding function calls are skipped.

See the function pointer type documentation for details of how the functions should be implemented. More details on implementing new selection methods can be found on a separate page: Custom selection methods.

Public Attributes
const char *	name
	Name of the method. More...
e_selvalue_t	type
	Type which the method returns. More...
int	flags
	Flags to specify how the method should be handled. More...
int	nparams
	Number of parameters the method takes. More...
gmx_ana_selparam_t *	param
	Pointer to the array of parameter descriptions. More...
sel_datafunc	init_data
	Function for allocating and initializing internal data and parameters. More...
sel_posfunc	set_poscoll
	Function to set the position calculation collection. More...
sel_initfunc	init
	Function to do initialization based on topology and/or parameter values. More...
sel_outinitfunc	outinit
	Function to initialize output data structure. More...
sel_freefunc	free
	Function to free the internal data. More...
sel_framefunc	init_frame
	Function to initialize the calculation for a new frame. More...
sel_updatefunc	update
	Function to evaluate the value. More...
sel_updatefunc_pos	pupdate
	Function to evaluate the value using positions. More...
gmx_ana_selmethod_help_t	help
	Help data for the method. More...

Member Data Documentation

int gmx_ana_selmethod_t::flags

Flags to specify how the method should be handled.

See selmethod_flags for allowed values.

sel_freefunc gmx_ana_selmethod_t::free

Function to free the internal data.

gmx_ana_selmethod_help_t gmx_ana_selmethod_t::help

Help data for the method.

sel_initfunc gmx_ana_selmethod_t::init

Function to do initialization based on topology and/or parameter values.

sel_datafunc gmx_ana_selmethod_t::init_data

Function for allocating and initializing internal data and parameters.

sel_framefunc gmx_ana_selmethod_t::init_frame

Function to initialize the calculation for a new frame.

const char* gmx_ana_selmethod_t::name

Name of the method.

int gmx_ana_selmethod_t::nparams

Number of parameters the method takes.

sel_outinitfunc gmx_ana_selmethod_t::outinit

Function to initialize output data structure.

gmx_ana_selparam_t* gmx_ana_selmethod_t::param

Pointer to the array of parameter descriptions.

sel_updatefunc_pos gmx_ana_selmethod_t::pupdate

Function to evaluate the value using positions.

sel_posfunc gmx_ana_selmethod_t::set_poscoll

Function to set the position calculation collection.

e_selvalue_t gmx_ana_selmethod_t::type

Type which the method returns.

sel_updatefunc gmx_ana_selmethod_t::update

Function to evaluate the value.

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The documentation for this struct was generated from the following file:

• src/gromacs/selection/selmethod.h