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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"
49 class SelectionOptionInfo;
50 class SelectionOptionStorage;
53 * Specifies an option that provides selection(s).
55 * Public methods in this class do not throw.
58 * \ingroup module_selection
60 class SelectionOption : public OptionTemplate<Selection, SelectionOption>
63 //! Initializes an option with the given name.
64 explicit SelectionOption(const char *name)
65 : MyBase(name), infoPtr_(NULL)
69 * Request velocity evaluation for output positions.
71 * Note that even with this flag set, velocities may not be available,
72 * in which case SelectionPosition::hasVelocity() returns false.
74 MyClass &evaluateVelocities()
75 { selectionFlags_.set(efSelection_EvaluateVelocities); return me(); }
77 * Request force evaluation for output positions.
79 * Note that even with this flag set, forces may not be available,
80 * in which case SelectionPosition::hasForce() returns false.
82 MyClass &evaluateForces()
83 { selectionFlags_.set(efSelection_EvaluateForces); return me(); }
85 * Only accept selections that evaluate to atom positions.
87 * TODO: This option is not yet implemented.
90 { selectionFlags_.set(efSelection_OnlyAtoms); return me(); }
92 * Only accept static selections for this option.
95 { selectionFlags_.set(efSelection_OnlyStatic); return me(); }
97 * Handle dynamic selections for this option with position masks.
100 * \see SelectionPosition::selected()
102 MyClass &dynamicMask()
103 { selectionFlags_.set(efSelection_DynamicMask); return me(); }
105 * Disallow using atom coordinates as the reference positions.
107 * TODO: This option is not yet implemented.
109 MyClass &dynamicOnlyWhole()
110 { selectionFlags_.set(efSelection_DynamicOnlyWhole); return me(); }
113 * Get an info object that can be used to alter the option after
116 * \see SelectionOptionInfo
118 MyClass &getAdjuster(SelectionOptionInfo **infoPtr)
119 { infoPtr_ = infoPtr; return me(); }
122 // Disable possibility to allow multiple occurrences, since it isn't
124 using MyBase::allowMultiple;
125 // Disable default value because it is impossible to provide a
127 using MyBase::defaultValue;
128 using MyBase::defaultValueIfSet;
130 virtual AbstractOptionStoragePointer createStorage() const;
132 SelectionFlags selectionFlags_;
133 SelectionOptionInfo **infoPtr_;
136 * Needed to initialize SelectionOptionStorage from this class without
137 * otherwise unnecessary accessors.
139 friend class SelectionOptionStorage;