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33 * Declares gmx::SelectionOption.
35 * \author Teemu Murtola <teemu.murtola@cbr.su.se>
37 * \ingroup module_selection
39 #ifndef GMX_SELECTION_SELECTIONOPTION_H
40 #define GMX_SELECTION_SELECTIONOPTION_H
42 #include "../options/abstractoption.h"
43 #include "selection.h"
44 #include "selectionenums.h"
45 #include "selectionoptioninfo.h"
50 class SelectionOptionInfo;
51 class SelectionOptionStorage;
54 * Specifies an option that provides selection(s).
56 * Public methods in this class do not throw.
59 * \ingroup module_selection
61 class SelectionOption : public OptionTemplate<Selection, SelectionOption>
64 //! OptionInfo subclass corresponding to this option type.
65 typedef SelectionOptionInfo InfoType;
67 //! Initializes an option with the given name.
68 explicit SelectionOption(const char *name) : MyBase(name) { }
71 * Request velocity evaluation for output positions.
73 * Note that even with this flag set, velocities may not be available,
74 * in which case SelectionPosition::hasVelocity() returns false.
76 MyClass &evaluateVelocities()
77 { selectionFlags_.set(efSelection_EvaluateVelocities); return me(); }
79 * Request force evaluation for output positions.
81 * Note that even with this flag set, forces may not be available,
82 * in which case SelectionPosition::hasForce() returns false.
84 MyClass &evaluateForces()
85 { selectionFlags_.set(efSelection_EvaluateForces); return me(); }
87 * Only accept selections that evaluate to atom positions.
89 * TODO: This option is not yet implemented.
92 { selectionFlags_.set(efSelection_OnlyAtoms); return me(); }
94 * Only accept static selections for this option.
97 { selectionFlags_.set(efSelection_OnlyStatic); return me(); }
99 * Handle dynamic selections for this option with position masks.
102 * \see SelectionPosition::selected()
104 MyClass &dynamicMask()
105 { selectionFlags_.set(efSelection_DynamicMask); return me(); }
107 * Disallow using atom coordinates as the reference positions.
109 * TODO: This option is not yet implemented.
111 MyClass &dynamicOnlyWhole()
112 { selectionFlags_.set(efSelection_DynamicOnlyWhole); return me(); }
115 // Disable possibility to allow multiple occurrences, since it isn't
117 using MyBase::allowMultiple;
118 // Disable default value because it is impossible to provide a
120 using MyBase::defaultValue;
121 using MyBase::defaultValueIfSet;
123 virtual AbstractOptionStoragePointer createStorage() const;
125 SelectionFlags selectionFlags_;
128 * Needed to initialize SelectionOptionStorage from this class without
129 * otherwise unnecessary accessors.
131 friend class SelectionOptionStorage;