src/gromacs/selection.h

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