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37 * Declares common types used in selections.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
40 * \ingroup module_selection
42 #ifndef GMX_SELECTION_SELECTIONENUMS_H
43 #define GMX_SELECTION_SELECTIONENUMS_H
45 #include "gromacs/utility/flags.h"
48 * Defines the type of covered fraction.
54 CFRAC_NONE, /**< No covered fraction (everything covered). */
55 CFRAC_SOLIDANGLE /**< Fraction of a solid (3D) angle covered. */
65 * These flags are not part of the public interface, even though they are in an
66 * installed header. They are needed in the implementation of SelectionOption.
70 efSelection_OnlyStatic = 1 << 0,
71 efSelection_OnlyAtoms = 1 << 1,
72 efSelection_OnlySorted = 1 << 2,
73 //! Whether ::POS_MASKONLY should be used for output position evaluation.
74 efSelection_DynamicMask = 1 << 3,
75 //! If set, unconditionally empty selections result in compilation errors.
76 efSelection_DisallowEmpty = 1 << 4,
77 //! Whether velocities of output positions should be evaluated.
78 efSelection_EvaluateVelocities = 1 << 5,
79 //! Whether forces on output positions should be evaluated.
80 efSelection_EvaluateForces = 1 << 6,
83 //! Holds a collection of ::SelectionFlag values.
84 typedef FlagsTemplate<SelectionFlag> SelectionFlags;
88 * Describes topology properties required for selection evaluation.
90 * See SelectionCollection::requiredTopologyProperties().
93 * \ingroup module_selection
95 struct SelectionTopologyProperties
97 //! Returns a property object that requires generic topology info.
98 static SelectionTopologyProperties topology()
100 return SelectionTopologyProperties(true, false);
102 //! Returns a property object that requires atom masses.
103 static SelectionTopologyProperties masses() { return SelectionTopologyProperties(true, true); }
105 //! Initializes properties that does not require anything.
106 SelectionTopologyProperties() : needsTopology(false), needsMasses(false) {}
107 //! Initializes properties with the given flags.
108 SelectionTopologyProperties(bool needsTopology, bool needsMasses) :
109 needsTopology(needsTopology),
110 needsMasses(needsMasses)
114 //! Combines flags from another properties object to this.
115 void merge(const SelectionTopologyProperties& other)
117 needsTopology = needsTopology || other.needsTopology;
118 needsMasses = needsMasses || other.needsMasses;
120 //! Whether all flags are `true` (for short-ciruiting logic).
121 bool hasAll() const { return needsTopology && needsMasses; }
122 //! Whether any flag is `true`.
123 bool hasAny() const { return needsTopology || needsMasses; }
125 //! Whether topology information is needed for selection evaluation.
127 //! Whether atom masses are needed for selection evaluation.