gmx::SelectionEvaluator Class Reference

#include <gromacs/selection/selectioncollection_impl.h>

Description

Implements selection evaluation.

This class is used to implement SelectionCollection::evaluate() and SelectionCollection::evaluateFinal().

Public Member Functions
void	evaluate (SelectionCollection *sc, t_trxframe *fr, t_pbc *pbc)
	Evaluates selections in a collection. More...
void	evaluateFinal (SelectionCollection *sc, int nframes)
	Evaluates the final state for dynamic selections. More...

Member Function Documentation

void gmx::SelectionEvaluator::evaluate	(	SelectionCollection *	coll,
		t_trxframe *	fr,
		t_pbc *	pbc
	)

Evaluates selections in a collection.

Parameters

[in,out]	coll	The selection collection to evaluate.
[in]	fr	Frame for which the evaluation should be carried out.
[in]	pbc	PBC data, or NULL if no PBC should be used.

Returns

0 on successful evaluation, a non-zero error code on error.

This functions sets the global variables for topology, frame and PBC, clears some information in the selection to initialize the evaluation for a new frame, and evaluates sel and all the selections pointed by the next pointers of sel.

This is the only function that user code should call if they want to evaluate a selection for a new frame.

void gmx::SelectionEvaluator::evaluateFinal	(	SelectionCollection *	coll,
		int	nframes
	)

Evaluates the final state for dynamic selections.

Parameters

[in,out]	coll	The selection collection to evaluate.
[in]	nframes	Total number of frames.

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The documentation for this class was generated from the following files:

• src/gromacs/selection/selectioncollection_impl.h
• src/gromacs/selection/evaluate.cpp