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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.
100 * TODO: This option is not yet implemented.
103 { selectionFlags_.set(efSelection_OnlyAtoms); return me(); }
105 * Only accept static selections for this option.
107 MyClass &onlyStatic()
108 { selectionFlags_.set(efSelection_OnlyStatic); return me(); }
110 * Handle dynamic selections for this option with position masks.
113 * \see SelectionPosition::selected()
115 MyClass &dynamicMask()
116 { selectionFlags_.set(efSelection_DynamicMask); return me(); }
118 * Disallow using atom coordinates as the reference positions.
120 * TODO: This option is not yet implemented.
122 MyClass &dynamicOnlyWhole()
123 { selectionFlags_.set(efSelection_DynamicOnlyWhole); return me(); }
126 // Disable possibility to allow multiple occurrences, since it isn't
128 using MyBase::allowMultiple;
129 // Disable default value because it is impossible to provide a
131 using MyBase::defaultValue;
132 using MyBase::defaultValueIfSet;
134 virtual AbstractOptionStoragePointer createStorage() const;
136 SelectionFlags selectionFlags_;
139 * Needed to initialize SelectionOptionStorage from this class without
140 * otherwise unnecessary accessors.
142 friend class SelectionOptionStorage;
146 * Wrapper class for accessing and modifying selection option information.
148 * Allows changes to a selection option after creation.
150 * This class provides the necessary interface for changing, e.g., the number
151 * of allowed selections for a selection option after the option has been
152 * created with Options::addOption(). This is needed if the number or other
153 * flags are only known after other options have been parsed. The main
154 * advantage of this class over custom checks is that if used before
155 * interactive selection prompt, the interactive prompt is updated accordingly.
157 * When using this class, the option should be initially created with the most
158 * permissive flags, and this class should be used to place restrictions where
159 * appropriate. Otherwise, values that are provided before adjustments will
160 * need to follow the more strict checks. In most cases in trajectory analysis
161 * (which is the main use case for selection options), the adjustments should
162 * be done in TrajectoryAnalysisModule::initOptionsDone() for them to take
163 * place before interactive selection prompts.
165 * An instance of this class for a selection option can be obtained with
166 * SelectionOption::getAdjuster() when the option is created.
171 Options options("example", "Example options");
172 SelectionOptionInfo *info;
173 info = options.addOption(SelectionOption("sel").storeVector(&sel)
175 // < ... assign values to options ...>
178 // Put limitations on the selections based on the condition,
179 // which can depend on other option values.
180 // Throws if input given so far violates the limitations.
181 info->setValueCount(2);
182 info->setOnlyStatic(true);
187 * \ingroup module_selection
189 class SelectionOptionInfo : public OptionInfo
193 * Creates option info object for given storage object.
197 explicit SelectionOptionInfo(SelectionOptionStorage *option);
200 * Set manager for handling interaction with other options and the
201 * selection collection.
203 * \param manager Selection manager to set.
205 * This must be called before the values are added.
207 * Typically it is called through setManagerForSelectionOptions(),
208 * which recursively sets the manager for all selection options in
213 void setManager(SelectionOptionManager *manager);
216 * Sets the number of selections allowed for the option.
218 * \param[in] count Number of allowed selections.
219 * \throws std::bad_alloc if out of memory.
220 * \throws InvalidInputError if values have already been provided
221 * and their count does not match.
223 void setValueCount(int count);
226 * Sets whether this option evaluates velocities for positions.
228 * \param[in] bEnabled If true, velocities are evaluated.
232 * \see Selection::setEvaluateVelocities()
234 void setEvaluateVelocities(bool bEnabled);
236 * Sets whether this option evaluates forces for positions.
238 * \param[in] bEnabled If true, forces are evaluated.
242 * \see Selection::setEvaluateForces()
244 void setEvaluateForces(bool bEnabled);
246 * Sets whether this option accepts positions that come from multiple
249 * \param[in] bEnabled If true, the option accepts only positions that
250 * evaluate to atom positions.
252 * TODO: This is not yet implemented.
254 * \see SelectionOption::onlyAtoms()
256 void setOnlyAtoms(bool bEnabled);
258 * Sets whether this option accepts dynamic selections.
260 * \param[in] bEnabled If true, the option accepts only static
262 * \throws std::bad_alloc if out of memory.
263 * \throws InvalidInputError if dynamic selections have already been
266 * Strong exception safety guarantee.
268 * \see SelectionOption::onlyStatic()
270 void setOnlyStatic(bool bEnabled);
272 * Sets whether this option uses position masks for dynamic selections.
274 * \param[in] bEnabled If true, the position masks are used.
278 * \see SelectionOption::dynamicMask()
280 void setDynamicMask(bool bEnabled);
282 * Sets whether atom coordinates are allowed as reference positions.
284 * \param[in] bEnabled If true, the option does not accept atom
285 * coordinates as reference positions.
287 * TODO: This is not yet implemented.
289 * \see SelectionOption::dynamicOnlyWhole()
291 void setDynamicOnlyWhole(bool bEnabled);
294 SelectionOptionStorage &option();
295 const SelectionOptionStorage &option() const;