src/gromacs/selection.h

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  35 /*! \defgroup module_selection Parsing and Evaluation of Analysis Selections (selection)
  36  * \ingroup group_analysismodules
  37  * \brief
  38  * Provides functionality for initializing and evaluating selections.
  39  *
  40  * The core of the selection engine is accessed through
  41  * gmx::SelectionCollection, which manages a set of selections.
  42  * Documentation for that class explains the general selection mechanisms.
  43  *
  44  * For each selection that is parsed using a gmx::SelectionCollection, a
  45  * gmx::Selection handle is returned and can be used to access information
  46  * about that selection.  gmx::SelectionPosition is a helper class used to
  47  * access information about individual positions in a selection.  These classes
  48  * refer to internal state within the gmx::SelectionCollection, and their
  49  * contents update automatically when the gmx::SelectionCollection is compiled
  50  * or evaluated.
  51  *
  52  * This module also provides gmx::SelectionOption and gmx::SelectionOptionInfo
  53  * classes for declaring options that evaluate to selections (see \ref
  54  * module_options for general explanation of the options mechanism).  These
  55  * classes provide the main interface to obtain gmx::Selection objects in
  56  * trajectory analysis using gmx::TrajectoryAnalysisModule.
  57  * To use these classes outside the trajectory analysis framework,
  58  * a gmx::SelectionOptionManager or a gmx::SelectionOptionBehavior needs to be
  59  * created to serve as a bridge between the selection option classes and the
  60  * gmx::SelectionCollection object.
  61  * \if libapi
  62  * gmx::SelectionFileOption can be used to implement generic file input for
  63  * selection options (done internally within gmx::SelectionOptionBehavior).
  64  *
  65  * The selection module contains some lower-level functionality that is
  66  * currently internal to it (centerofmass.h, indexutil.h, poscalc.h,
  67  * position.h), but could possibly be useful also outside the module.
  68  * It should be considered whether they should be moved somewhere else.
  69  * \endif
  70  *
  71  * \author Teemu Murtola <teemu.murtola@gmail.com>
  72  */
  73 /*! \file
  74  * \brief
  75  * Public API convenience header for selection handling.
  76  *
  77  * \author Teemu Murtola <teemu.murtola@gmail.com>
  78  * \inpublicapi
  79  * \ingroup module_selection
  80  */
  81 #ifndef GMX_SELECTION_H
  82 #define GMX_SELECTION_H
  83
  84 #include "gromacs/selection/selection.h"
  85 #include "gromacs/selection/selectioncollection.h"
  86 #include "gromacs/selection/selectionoption.h"
  87 #include "gromacs/selection/selectionoptionbehavior.h"
  88 #include "gromacs/selection/selectionoptionmanager.h"
  89
  90 #endif