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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)
82 : MyBase(name), defaultText_(""),
83 selectionFlags_(efSelection_DisallowEmpty)
88 * Request velocity evaluation for output positions.
90 * \see Selection::setEvaluateVelocities()
92 MyClass &evaluateVelocities()
93 { selectionFlags_.set(efSelection_EvaluateVelocities); return me(); }
95 * Request force evaluation for output positions.
97 * \see Selection::setEvaluateForces()
99 MyClass &evaluateForces()
100 { selectionFlags_.set(efSelection_EvaluateForces); return me(); }
102 * Only accept selections that evaluate to atom positions.
105 { selectionFlags_.set(efSelection_OnlyAtoms); return me(); }
107 * Only accept static selections for this option.
109 MyClass &onlyStatic()
110 { selectionFlags_.set(efSelection_OnlyStatic); return me(); }
112 * Handle dynamic selections for this option with position masks.
115 * \see SelectionPosition::selected()
117 MyClass &dynamicMask()
118 { selectionFlags_.set(efSelection_DynamicMask); return me(); }
120 * Allow specifying an unconditionally empty selection for this option.
122 * If this option is not set, selections that are unconditionally empty
123 * (i.e., can never match any atoms) result in errors.
124 * Note that even without this option, it is still possible that a
125 * dynamic selection evaluates to zero atoms for some frames.
127 MyClass &allowEmpty()
128 { selectionFlags_.clear(efSelection_DisallowEmpty); return me(); }
131 * Sets default selection text for the option.
133 * If the option is not set by the user, the provided text is parsed as
134 * the value of the selection.
136 MyClass &defaultSelectionText(const char *text)
137 { defaultText_ = text; return me(); }
140 // Disable possibility to allow multiple occurrences, since it isn't
142 using MyBase::allowMultiple;
143 // Disable default value because it is impossible to provide a
145 using MyBase::defaultValue;
146 using MyBase::defaultValueIfSet;
148 virtual AbstractOptionStoragePointer createStorage() const;
150 const char *defaultText_;
151 SelectionFlags selectionFlags_;
154 * Needed to initialize SelectionOptionStorage from this class without
155 * otherwise unnecessary accessors.
157 friend class SelectionOptionStorage;
161 * Wrapper class for accessing and modifying selection option information.
163 * Allows changes to a selection option after creation.
165 * This class provides the necessary interface for changing, e.g., the number
166 * of allowed selections for a selection option after the option has been
167 * created with Options::addOption(). This is needed if the number or other
168 * flags are only known after other options have been parsed. The main
169 * advantage of this class over custom checks is that if used before
170 * interactive selection prompt, the interactive prompt is updated accordingly.
172 * When using this class, the option should be initially created with the most
173 * permissive flags, and this class should be used to place restrictions where
174 * appropriate. Otherwise, values that are provided before adjustments will
175 * need to follow the more strict checks. In most cases in trajectory analysis
176 * (which is the main use case for selection options), the adjustments should
177 * be done in TrajectoryAnalysisModule::initOptionsDone() for them to take
178 * place before interactive selection prompts.
180 * An instance of this class for a selection option can be obtained with
181 * SelectionOption::getAdjuster() when the option is created.
186 Options options("example", "Example options");
187 SelectionOptionInfo *info;
188 info = options.addOption(SelectionOption("sel").storeVector(&sel)
190 // < ... assign values to options ...>
193 // Put limitations on the selections based on the condition,
194 // which can depend on other option values.
195 // Throws if input given so far violates the limitations.
196 info->setValueCount(2);
197 info->setOnlyStatic(true);
202 * \ingroup module_selection
204 class SelectionOptionInfo : public OptionInfo
208 * Creates option info object for given storage object.
212 explicit SelectionOptionInfo(SelectionOptionStorage *option);
215 * Set manager for handling interaction with other options and the
216 * selection collection.
218 * \param manager Selection manager to set.
220 * This must be called before the values are added.
222 * Typically it is called through setManagerForSelectionOptions(),
223 * which recursively sets the manager for all selection options in
228 void setManager(SelectionOptionManager *manager);
231 * Sets the number of selections allowed for the option.
233 * \param[in] count Number of allowed selections.
234 * \throws std::bad_alloc if out of memory.
235 * \throws InvalidInputError if values have already been provided
236 * and their count does not match.
238 void setValueCount(int count);
241 * Sets whether this option evaluates velocities for positions.
243 * \param[in] bEnabled If true, velocities are evaluated.
247 * \see Selection::setEvaluateVelocities()
249 void setEvaluateVelocities(bool bEnabled);
251 * Sets whether this option evaluates forces for positions.
253 * \param[in] bEnabled If true, forces are evaluated.
257 * \see Selection::setEvaluateForces()
259 void setEvaluateForces(bool bEnabled);
261 * Sets whether this option accepts positions that come from multiple
264 * \param[in] bEnabled If true, the option accepts only positions that
265 * evaluate to atom positions.
267 * \see SelectionOption::onlyAtoms()
269 void setOnlyAtoms(bool bEnabled);
271 * Sets whether this option accepts dynamic selections.
273 * \param[in] bEnabled If true, the option accepts only static
275 * \throws std::bad_alloc if out of memory.
276 * \throws InvalidInputError if dynamic selections have already been
279 * Strong exception safety guarantee.
281 * \see SelectionOption::onlyStatic()
283 void setOnlyStatic(bool bEnabled);
285 * Sets whether this option uses position masks for dynamic selections.
287 * \param[in] bEnabled If true, the position masks are used.
291 * \see SelectionOption::dynamicMask()
293 void setDynamicMask(bool bEnabled);
296 SelectionOptionStorage &option();
297 const SelectionOptionStorage &option() const;