src/gromacs/selection/selectionenums.h

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  36 /*! \file
  37  * \brief
  38  * Declares common types used in selections.
  39  *
  40  * \author Teemu Murtola <teemu.murtola@gmail.com>
  41  * \ingroup module_selection
  42  */
  43 #ifndef GMX_SELECTION_SELECTIONENUMS_H
  44 #define GMX_SELECTION_SELECTIONENUMS_H
  45
  46 #include "gromacs/utility/flags.h"
  47
  48 /*! \brief
  49  * Defines the type of covered fraction.
  50  *
  51  * \inpublicapi
  52  */
  53 typedef enum
  54 {
  55     CFRAC_NONE,      /**< No covered fraction (everything covered). */
  56     CFRAC_SOLIDANGLE /**< Fraction of a solid (3D) angle covered. */
  57 } e_coverfrac_t;
  58
  59 namespace gmx
  60 {
  61
  62 /*! \cond internal */
  63 /*! \brief
  64  * Flags for options.
  65  *
  66  * These flags are not part of the public interface, even though they are in an
  67  * installed header.  They are needed in the implementation of SelectionOption.
  68  */
  69 enum SelectionFlag
  70 {
  71     efSelection_OnlyStatic = 1 << 0,
  72     efSelection_OnlyAtoms  = 1 << 1,
  73     efSelection_OnlySorted = 1 << 2,
  74     //! Whether ::POS_MASKONLY should be used for output position evaluation.
  75     efSelection_DynamicMask = 1 << 3,
  76     //! If set, unconditionally empty selections result in compilation errors.
  77     efSelection_DisallowEmpty = 1 << 4,
  78     //! Whether velocities of output positions should be evaluated.
  79     efSelection_EvaluateVelocities = 1 << 5,
  80     //! Whether forces on output positions should be evaluated.
  81     efSelection_EvaluateForces = 1 << 6,
  82 };
  83
  84 //! Holds a collection of ::SelectionFlag values.
  85 typedef FlagsTemplate<SelectionFlag> SelectionFlags;
  86 //! \endcond
  87
  88 /*! \brief
  89  * Describes topology properties required for selection evaluation.
  90  *
  91  * See SelectionCollection::requiredTopologyProperties().
  92  *
  93  * \inpublicapi
  94  * \ingroup module_selection
  95  */
  96 struct SelectionTopologyProperties
  97 {
  98     //! Returns a property object that requires generic topology info.
  99     static SelectionTopologyProperties topology()
 100     {
 101         return SelectionTopologyProperties(true, false);
 102     }
 103     //! Returns a property object that requires atom masses.
 104     static SelectionTopologyProperties masses() { return SelectionTopologyProperties(true, true); }
 105
 106     //! Initializes properties that does not require anything.
 107     SelectionTopologyProperties() : needsTopology(false), needsMasses(false) {}
 108     //! Initializes properties with the given flags.
 109     SelectionTopologyProperties(bool needsTopology, bool needsMasses) :
 110         needsTopology(needsTopology),
 111         needsMasses(needsMasses)
 112     {
 113     }
 114
 115     //! Combines flags from another properties object to this.
 116     void merge(const SelectionTopologyProperties& other)
 117     {
 118         needsTopology = needsTopology || other.needsTopology;
 119         needsMasses   = needsMasses || other.needsMasses;
 120     }
 121     //! Whether all flags are `true` (for short-ciruiting logic).
 122     bool hasAll() const { return needsTopology && needsMasses; }
 123     //! Whether any flag is `true`.
 124     bool hasAny() const { return needsTopology || needsMasses; }
 125
 126     //! Whether topology information is needed for selection evaluation.
 127     bool needsTopology;
 128     //! Whether atom masses are needed for selection evaluation.
 129     bool needsMasses;
 130 };
 131
 132 } // namespace gmx
 133
 134 #endif