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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 * Support for specifying that an option accepts, e.g., two to four selections.
60 * Currently, only a fixed count or any number of selections is possible.
62 * In addition to allowing this in OptionTemplate, also SelectionOptionManager
63 * needs to be updated.
67 * \ingroup module_selection
69 class SelectionOption : public OptionTemplate<Selection, SelectionOption>
72 //! OptionInfo subclass corresponding to this option type.
73 typedef SelectionOptionInfo InfoType;
75 //! Initializes an option with the given name.
76 explicit SelectionOption(const char *name) : MyBase(name) { }
79 * Request velocity evaluation for output positions.
81 * Note that even with this flag set, velocities may not be available,
82 * in which case SelectionPosition::hasVelocity() returns false.
84 MyClass &evaluateVelocities()
85 { selectionFlags_.set(efSelection_EvaluateVelocities); return me(); }
87 * Request force evaluation for output positions.
89 * Note that even with this flag set, forces may not be available,
90 * in which case SelectionPosition::hasForce() returns false.
92 MyClass &evaluateForces()
93 { selectionFlags_.set(efSelection_EvaluateForces); return me(); }
95 * Only accept selections that evaluate to atom positions.
97 * TODO: This option is not yet implemented.
100 { selectionFlags_.set(efSelection_OnlyAtoms); return me(); }
102 * Only accept static selections for this option.
104 MyClass &onlyStatic()
105 { selectionFlags_.set(efSelection_OnlyStatic); return me(); }
107 * Handle dynamic selections for this option with position masks.
110 * \see SelectionPosition::selected()
112 MyClass &dynamicMask()
113 { selectionFlags_.set(efSelection_DynamicMask); return me(); }
115 * Disallow using atom coordinates as the reference positions.
117 * TODO: This option is not yet implemented.
119 MyClass &dynamicOnlyWhole()
120 { selectionFlags_.set(efSelection_DynamicOnlyWhole); return me(); }
123 // Disable possibility to allow multiple occurrences, since it isn't
125 using MyBase::allowMultiple;
126 // Disable default value because it is impossible to provide a
128 using MyBase::defaultValue;
129 using MyBase::defaultValueIfSet;
131 virtual AbstractOptionStoragePointer createStorage() const;
133 SelectionFlags selectionFlags_;
136 * Needed to initialize SelectionOptionStorage from this class without
137 * otherwise unnecessary accessors.
139 friend class SelectionOptionStorage;