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37 * Declares gmx::SelectionOption and gmx::SelectionOptionInfo.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
41 * \ingroup module_selection
43 #ifndef GMX_SELECTION_SELECTIONOPTION_H
44 #define GMX_SELECTION_SELECTIONOPTION_H
46 #include "../options/abstractoption.h"
48 #include "selection.h"
49 #include "selectionenums.h"
54 class SelectionOptionInfo;
55 class SelectionOptionManager;
56 class SelectionOptionStorage;
59 * Specifies an option that provides selection(s).
61 * Public methods in this class do not throw.
64 * Support for specifying that an option accepts, e.g., two to four selections.
65 * Currently, only a fixed count or any number of selections is possible.
67 * In addition to allowing this in OptionTemplate, also SelectionOptionManager
68 * needs to be updated.
72 * \ingroup module_selection
74 class SelectionOption : public OptionTemplate<Selection, SelectionOption>
77 //! OptionInfo subclass corresponding to this option type.
78 typedef SelectionOptionInfo InfoType;
80 //! Initializes an option with the given name.
81 explicit SelectionOption(const char *name) : MyBase(name) { }
84 * Request velocity evaluation for output positions.
86 * \see Selection::setEvaluateVelocities()
88 MyClass &evaluateVelocities()
89 { selectionFlags_.set(efSelection_EvaluateVelocities); return me(); }
91 * Request force evaluation for output positions.
93 * \see Selection::setEvaluateForces()
95 MyClass &evaluateForces()
96 { selectionFlags_.set(efSelection_EvaluateForces); return me(); }
98 * Only accept selections that evaluate to atom positions.
101 { selectionFlags_.set(efSelection_OnlyAtoms); return me(); }
103 * Only accept static selections for this option.
105 MyClass &onlyStatic()
106 { selectionFlags_.set(efSelection_OnlyStatic); return me(); }
108 * Handle dynamic selections for this option with position masks.
111 * \see SelectionPosition::selected()
113 MyClass &dynamicMask()
114 { selectionFlags_.set(efSelection_DynamicMask); return me(); }
117 // Disable possibility to allow multiple occurrences, since it isn't
119 using MyBase::allowMultiple;
120 // Disable default value because it is impossible to provide a
122 using MyBase::defaultValue;
123 using MyBase::defaultValueIfSet;
125 virtual AbstractOptionStoragePointer createStorage() const;
127 SelectionFlags selectionFlags_;
130 * Needed to initialize SelectionOptionStorage from this class without
131 * otherwise unnecessary accessors.
133 friend class SelectionOptionStorage;
137 * Wrapper class for accessing and modifying selection option information.
139 * Allows changes to a selection option after creation.
141 * This class provides the necessary interface for changing, e.g., the number
142 * of allowed selections for a selection option after the option has been
143 * created with Options::addOption(). This is needed if the number or other
144 * flags are only known after other options have been parsed. The main
145 * advantage of this class over custom checks is that if used before
146 * interactive selection prompt, the interactive prompt is updated accordingly.
148 * When using this class, the option should be initially created with the most
149 * permissive flags, and this class should be used to place restrictions where
150 * appropriate. Otherwise, values that are provided before adjustments will
151 * need to follow the more strict checks. In most cases in trajectory analysis
152 * (which is the main use case for selection options), the adjustments should
153 * be done in TrajectoryAnalysisModule::initOptionsDone() for them to take
154 * place before interactive selection prompts.
156 * An instance of this class for a selection option can be obtained with
157 * SelectionOption::getAdjuster() when the option is created.
162 Options options("example", "Example options");
163 SelectionOptionInfo *info;
164 info = options.addOption(SelectionOption("sel").storeVector(&sel)
166 // < ... assign values to options ...>
169 // Put limitations on the selections based on the condition,
170 // which can depend on other option values.
171 // Throws if input given so far violates the limitations.
172 info->setValueCount(2);
173 info->setOnlyStatic(true);
178 * \ingroup module_selection
180 class SelectionOptionInfo : public OptionInfo
184 * Creates option info object for given storage object.
188 explicit SelectionOptionInfo(SelectionOptionStorage *option);
191 * Set manager for handling interaction with other options and the
192 * selection collection.
194 * \param manager Selection manager to set.
196 * This must be called before the values are added.
198 * Typically it is called through setManagerForSelectionOptions(),
199 * which recursively sets the manager for all selection options in
204 void setManager(SelectionOptionManager *manager);
207 * Sets the number of selections allowed for the option.
209 * \param[in] count Number of allowed selections.
210 * \throws std::bad_alloc if out of memory.
211 * \throws InvalidInputError if values have already been provided
212 * and their count does not match.
214 void setValueCount(int count);
217 * Sets whether this option evaluates velocities for positions.
219 * \param[in] bEnabled If true, velocities are evaluated.
223 * \see Selection::setEvaluateVelocities()
225 void setEvaluateVelocities(bool bEnabled);
227 * Sets whether this option evaluates forces for positions.
229 * \param[in] bEnabled If true, forces are evaluated.
233 * \see Selection::setEvaluateForces()
235 void setEvaluateForces(bool bEnabled);
237 * Sets whether this option accepts positions that come from multiple
240 * \param[in] bEnabled If true, the option accepts only positions that
241 * evaluate to atom positions.
243 * \see SelectionOption::onlyAtoms()
245 void setOnlyAtoms(bool bEnabled);
247 * Sets whether this option accepts dynamic selections.
249 * \param[in] bEnabled If true, the option accepts only static
251 * \throws std::bad_alloc if out of memory.
252 * \throws InvalidInputError if dynamic selections have already been
255 * Strong exception safety guarantee.
257 * \see SelectionOption::onlyStatic()
259 void setOnlyStatic(bool bEnabled);
261 * Sets whether this option uses position masks for dynamic selections.
263 * \param[in] bEnabled If true, the position masks are used.
267 * \see SelectionOption::dynamicMask()
269 void setDynamicMask(bool bEnabled);
272 SelectionOptionStorage &option();
273 const SelectionOptionStorage &option() const;