gmx::SelMethodEvalContext Struct Reference

#include <gromacs/selection/selmethod.h>

Collaboration diagram for gmx::SelMethodEvalContext:

Description

Evaluation context for selection methods.

This structure encapsulates common parameters passed to selection method evaluation functions. The contained values describe the evaluation context, i.e., the topology and the current trajectory frame.

Public Member Functions
	SelMethodEvalContext (const gmx_mtop_t *top, t_trxframe *fr, const t_pbc *pbc)
	Initializes the context with given values.

Public Attributes
const gmx_mtop_t *	top
	Topology. More...
t_trxframe *	fr
	Trajectory frame. More...
const t_pbc *	pbc
	Periodic boundary condition information. More...

Member Data Documentation

t_trxframe* gmx::SelMethodEvalContext::fr

Trajectory frame.

For static methods that are evaluated based on topology information alone, this is NULL.

const t_pbc* gmx::SelMethodEvalContext::pbc

Periodic boundary condition information.

Can be NULL, in which case PBC should not be used.

const gmx_mtop_t* gmx::SelMethodEvalContext::top

Topology.

Can be NULL if SMETH_REQTOP or SMETH_REQMASS is not set for the method.

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

• src/gromacs/selection/selmethod.h