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gmx::SelMethodEvalContext Struct Reference

#include <gromacs/selection/selmethod.h>

+ Collaboration diagram for gmx::SelMethodEvalContext:


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_pbcpbc
 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


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

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