libgromacs-dev 5.1.2-1ubuntu1 / usr / include / gromacs / selection.h

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/*! \defgroup module_selection Parsing and Evaluation of Analysis Selections (selection)
 * \ingroup group_analysismodules
 * \brief
 * Provides functionality for initializing and evaluating selections.
 *
 * The core of the selection engine is accessed through
 * gmx::SelectionCollection, which manages a set of selections.
 * Documentation for that class explains the general selection mechanisms.
 *
 * For each selection that is parsed using a gmx::SelectionCollection, a
 * gmx::Selection handle is returned and can be used to access information
 * about that selection.  gmx::SelectionPosition is a helper class used to
 * access information about individual positions in a selection.  These classes
 * refer to internal state within the gmx::SelectionCollection, and their
 * contents update automatically when the gmx::SelectionCollection is compiled
 * or evaluated.
 *
 * This module also provides gmx::SelectionOption and gmx::SelectionOptionInfo
 * classes for declaring options that evaluate to selections (see \ref
 * module_options for general explanation of the options mechanism).  These
 * classes provide the main interface to obtain gmx::Selection objects in
 * trajectory analysis using gmx::TrajectoryAnalysisModule.
 * To use these classes outside the trajectory analysis framework,
 * a gmx::SelectionOptionManager needs to be created to serve as a bridge
 * between the selection option classes and the gmx::SelectionCollection
 * object.
 * \if libapi
 * gmx::SelectionFileOption can be used to implement generic file input for
 * selection options (done internally in the trajectory analysis framework).
 *
 * The selection module contains some lower-level functionality that is
 * currently internal to it (centerofmass.h, indexutil.h, poscalc.h,
 * position.h), but could possibly be useful also outside the module.
 * It should be considered whether they should be moved somewhere else.
 * \endif
 *
 * \author Teemu Murtola <teemu.murtola@gmail.com>
 */
/*! \file
 * \brief
 * Public API convenience header for selection handling.
 *
 * \author Teemu Murtola <teemu.murtola@gmail.com>
 * \inpublicapi
 * \ingroup module_selection
 */
#ifndef GMX_SELECTION_H
#define GMX_SELECTION_H

#include "gromacs/selection/selection.h"
#include "gromacs/selection/selectioncollection.h"
#include "gromacs/selection/selectionoption.h"
#include "gromacs/selection/selectionoptionmanager.h"

#endif