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/*! \file
* \brief
* Declares gmx::SelectionOption and gmx::SelectionOptionInfo.
*
- * \author Teemu Murtola <teemu.murtola@cbr.su.se>
+ * \author Teemu Murtola <teemu.murtola@gmail.com>
* \inpublicapi
* \ingroup module_selection
*/
#ifndef GMX_SELECTION_SELECTIONOPTION_H
#define GMX_SELECTION_SELECTIONOPTION_H
-#include "../options/abstractoption.h"
-
-#include "selection.h"
-#include "selectionenums.h"
+#include "gromacs/options/abstractoption.h"
+#include "gromacs/selection/selection.h"
+#include "gromacs/selection/selectionenums.h"
namespace gmx
{
*
* Public methods in this class do not throw.
*
+ * To use options of this type, SelectionOptionManager must first be added to
+ * the Options collection. For trajectory analysis tools, the framework takes
+ * care of this.
+ *
* \todo
* Support for specifying that an option accepts, e.g., two to four selections.
* Currently, only a fixed count or any number of selections is possible.
typedef SelectionOptionInfo InfoType;
//! Initializes an option with the given name.
- explicit SelectionOption(const char *name) : MyBase(name) { }
+ explicit SelectionOption(const char *name)
+ : MyBase(name), defaultText_(""),
+ selectionFlags_(efSelection_DisallowEmpty)
+ {
+ }
/*! \brief
* Request velocity evaluation for output positions.
*
- * Note that even with this flag set, velocities may not be available,
- * in which case SelectionPosition::hasVelocity() returns false.
+ * \see Selection::setEvaluateVelocities()
*/
MyClass &evaluateVelocities()
{ selectionFlags_.set(efSelection_EvaluateVelocities); return me(); }
/*! \brief
* Request force evaluation for output positions.
*
- * Note that even with this flag set, forces may not be available,
- * in which case SelectionPosition::hasForce() returns false.
+ * \see Selection::setEvaluateForces()
*/
MyClass &evaluateForces()
{ selectionFlags_.set(efSelection_EvaluateForces); return me(); }
/*! \brief
* Only accept selections that evaluate to atom positions.
- *
- * TODO: This option is not yet implemented.
*/
MyClass &onlyAtoms()
{ selectionFlags_.set(efSelection_OnlyAtoms); return me(); }
MyClass &dynamicMask()
{ selectionFlags_.set(efSelection_DynamicMask); return me(); }
/*! \brief
- * Disallow using atom coordinates as the reference positions.
+ * Allow specifying an unconditionally empty selection for this option.
*
- * TODO: This option is not yet implemented.
+ * If this option is not set, selections that are unconditionally empty
+ * (i.e., can never match any atoms) result in errors.
+ * Note that even without this option, it is still possible that a
+ * dynamic selection evaluates to zero atoms for some frames.
*/
- MyClass &dynamicOnlyWhole()
- { selectionFlags_.set(efSelection_DynamicOnlyWhole); return me(); }
+ MyClass &allowEmpty()
+ { selectionFlags_.clear(efSelection_DisallowEmpty); return me(); }
+
+ /*! \brief
+ * Sets default selection text for the option.
+ *
+ * If the option is not set by the user, the provided text is parsed as
+ * the value of the selection.
+ */
+ MyClass &defaultSelectionText(const char *text)
+ { defaultText_ = text; return me(); }
private:
// Disable possibility to allow multiple occurrences, since it isn't
using MyBase::defaultValue;
using MyBase::defaultValueIfSet;
- virtual AbstractOptionStoragePointer createStorage() const;
+ virtual AbstractOptionStorage *createStorage(
+ const OptionManagerContainer &managers) const;
+ const char *defaultText_;
SelectionFlags selectionFlags_;
/*! \brief
*
* Example use:
* \code
-SelectionList sel;
-Options options("example", "Example options");
-SelectionOptionInfo *info;
-info = options.addOption(SelectionOption("sel").storeVector(&sel)
- .multiValue());
-// < ... assign values to options ...>
-if ( condition )
-{
- // Put limitations on the selections based on the condition,
- // which can depend on other option values.
- // Throws if input given so far violates the limitations.
- info->setValueCount(2);
- info->setOnlyStatic(true);
-}
+ SelectionList sel;
+ Options options("example", "Example options");
+ SelectionOptionInfo *info;
+ info = options.addOption(SelectionOption("sel").storeVector(&sel)
+ .multiValue());
+ // < ... assign values to options ...>
+ if ( condition )
+ {
+ // Put limitations on the selections based on the condition,
+ // which can depend on other option values.
+ // Throws if input given so far violates the limitations.
+ info->setValueCount(2);
+ info->setOnlyStatic(true);
+ }
* \endcode
*
* \inpublicapi
*/
explicit SelectionOptionInfo(SelectionOptionStorage *option);
- /*! \brief
- * Set manager for handling interaction with other options and the
- * selection collection.
- *
- * \param manager Selection manager to set.
- *
- * This must be called before the values are added.
- *
- * Typically it is called through setManagerForSelectionOptions(),
- * which recursively sets the manager for all selection options in
- * an Options object.
- *
- * Does not throw.
- */
- void setManager(SelectionOptionManager *manager);
-
/*! \brief
* Sets the number of selections allowed for the option.
*
*
* Does not throw.
*
- * \see SelectionOption::evaluateVelocities()
+ * \see Selection::setEvaluateVelocities()
*/
void setEvaluateVelocities(bool bEnabled);
/*! \brief
*
* Does not throw.
*
- * \see SelectionOption::evaluateForces()
+ * \see Selection::setEvaluateForces()
*/
void setEvaluateForces(bool bEnabled);
/*! \brief
* \param[in] bEnabled If true, the option accepts only positions that
* evaluate to atom positions.
*
- * TODO: This is not yet implemented.
- *
* \see SelectionOption::onlyAtoms()
*/
void setOnlyAtoms(bool bEnabled);
* \see SelectionOption::dynamicMask()
*/
void setDynamicMask(bool bEnabled);
- /*! \brief
- * Sets whether atom coordinates are allowed as reference positions.
- *
- * \param[in] bEnabled If true, the option does not accept atom
- * coordinates as reference positions.
- *
- * TODO: This is not yet implemented.
- *
- * \see SelectionOption::dynamicOnlyWhole()
- */
- void setDynamicOnlyWhole(bool bEnabled);
private:
SelectionOptionStorage &option();
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff