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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.
63 * To use options of this type, SelectionOptionManager must first be added to
64 * the Options collection. For trajectory analysis tools, the framework takes
68 * Support for specifying that an option accepts, e.g., two to four selections.
69 * Currently, only a fixed count or any number of selections is possible.
71 * In addition to allowing this in OptionTemplate, also SelectionOptionManager
72 * needs to be updated.
76 * \ingroup module_selection
78 class SelectionOption : public OptionTemplate<Selection, SelectionOption>
81 //! OptionInfo subclass corresponding to this option type.
82 typedef SelectionOptionInfo InfoType;
84 //! Initializes an option with the given name.
85 explicit SelectionOption(const char *name)
86 : MyBase(name), defaultText_(""),
87 selectionFlags_(efSelection_DisallowEmpty)
92 * Request velocity evaluation for output positions.
94 * \see Selection::setEvaluateVelocities()
96 MyClass &evaluateVelocities()
97 { selectionFlags_.set(efSelection_EvaluateVelocities); return me(); }
99 * Request force evaluation for output positions.
101 * \see Selection::setEvaluateForces()
103 MyClass &evaluateForces()
104 { selectionFlags_.set(efSelection_EvaluateForces); return me(); }
106 * Only accept selections that evaluate to atom positions.
109 { selectionFlags_.set(efSelection_OnlyAtoms); return me(); }
111 * Only accept static selections for this option.
113 MyClass &onlyStatic()
114 { selectionFlags_.set(efSelection_OnlyStatic); return me(); }
116 * Handle dynamic selections for this option with position masks.
119 * \see SelectionPosition::selected()
121 MyClass &dynamicMask()
122 { selectionFlags_.set(efSelection_DynamicMask); return me(); }
124 * Allow specifying an unconditionally empty selection for this option.
126 * If this option is not set, selections that are unconditionally empty
127 * (i.e., can never match any atoms) result in errors.
128 * Note that even without this option, it is still possible that a
129 * dynamic selection evaluates to zero atoms for some frames.
131 MyClass &allowEmpty()
132 { selectionFlags_.clear(efSelection_DisallowEmpty); return me(); }
135 * Sets default selection text for the option.
137 * If the option is not set by the user, the provided text is parsed as
138 * the value of the selection.
140 MyClass &defaultSelectionText(const char *text)
141 { defaultText_ = text; return me(); }
144 // Disable possibility to allow multiple occurrences, since it isn't
146 using MyBase::allowMultiple;
147 // Disable default value because it is impossible to provide a
149 using MyBase::defaultValue;
150 using MyBase::defaultValueIfSet;
152 virtual AbstractOptionStorage *createStorage(
153 const OptionManagerContainer &managers) const;
155 const char *defaultText_;
156 SelectionFlags selectionFlags_;
159 * Needed to initialize SelectionOptionStorage from this class without
160 * otherwise unnecessary accessors.
162 friend class SelectionOptionStorage;
166 * Wrapper class for accessing and modifying selection option information.
168 * Allows changes to a selection option after creation.
170 * This class provides the necessary interface for changing, e.g., the number
171 * of allowed selections for a selection option after the option has been
172 * created with Options::addOption(). This is needed if the number or other
173 * flags are only known after other options have been parsed. The main
174 * advantage of this class over custom checks is that if used before
175 * interactive selection prompt, the interactive prompt is updated accordingly.
177 * When using this class, the option should be initially created with the most
178 * permissive flags, and this class should be used to place restrictions where
179 * appropriate. Otherwise, values that are provided before adjustments will
180 * need to follow the more strict checks. In most cases in trajectory analysis
181 * (which is the main use case for selection options), the adjustments should
182 * be done in TrajectoryAnalysisModule::initOptionsDone() for them to take
183 * place before interactive selection prompts.
185 * An instance of this class for a selection option can be obtained with
186 * SelectionOption::getAdjuster() when the option is created.
191 Options options("example", "Example options");
192 SelectionOptionInfo *info;
193 info = options.addOption(SelectionOption("sel").storeVector(&sel)
195 // < ... assign values to options ...>
198 // Put limitations on the selections based on the condition,
199 // which can depend on other option values.
200 // Throws if input given so far violates the limitations.
201 info->setValueCount(2);
202 info->setOnlyStatic(true);
207 * \ingroup module_selection
209 class SelectionOptionInfo : public OptionInfo
213 * Creates option info object for given storage object.
217 explicit SelectionOptionInfo(SelectionOptionStorage *option);
220 * Sets the number of selections allowed for the option.
222 * \param[in] count Number of allowed selections.
223 * \throws std::bad_alloc if out of memory.
224 * \throws InvalidInputError if values have already been provided
225 * and their count does not match.
227 void setValueCount(int count);
230 * Sets whether this option evaluates velocities for positions.
232 * \param[in] bEnabled If true, velocities are evaluated.
236 * \see Selection::setEvaluateVelocities()
238 void setEvaluateVelocities(bool bEnabled);
240 * Sets whether this option evaluates forces for positions.
242 * \param[in] bEnabled If true, forces are evaluated.
246 * \see Selection::setEvaluateForces()
248 void setEvaluateForces(bool bEnabled);
250 * Sets whether this option accepts positions that come from multiple
253 * \param[in] bEnabled If true, the option accepts only positions that
254 * evaluate to atom positions.
256 * \see SelectionOption::onlyAtoms()
258 void setOnlyAtoms(bool bEnabled);
260 * Sets whether this option accepts dynamic selections.
262 * \param[in] bEnabled If true, the option accepts only static
264 * \throws std::bad_alloc if out of memory.
265 * \throws InvalidInputError if dynamic selections have already been
268 * Strong exception safety guarantee.
270 * \see SelectionOption::onlyStatic()
272 void setOnlyStatic(bool bEnabled);
274 * Sets whether this option uses position masks for dynamic selections.
276 * \param[in] bEnabled If true, the position masks are used.
280 * \see SelectionOption::dynamicMask()
282 void setDynamicMask(bool bEnabled);
285 SelectionOptionStorage &option();
286 const SelectionOptionStorage &option() const;