#include <gromacs/selection/selectionoption.h>

Inheritance diagram for gmx::SelectionOptionInfo:

Collaboration diagram for gmx::SelectionOptionInfo:

Description

Wrapper class for accessing and modifying selection option information.

Allows changes to a selection option after creation.

This class provides the necessary interface for changing, e.g., the number of allowed selections for a selection option after the option has been created with Options::addOption(). This is needed if the number or other flags are only known after other options have been parsed. The main advantage of this class over custom checks is that if used before interactive selection prompt, the interactive prompt is updated accordingly.

When using this class, the option should be initially created with the most permissive flags, and this class should be used to place restrictions where appropriate. Otherwise, values that are provided before adjustments will need to follow the more strict checks. In most cases in trajectory analysis (which is the main use case for selection options), the adjustments should be done in TrajectoryAnalysisModule::optionsFinished() for them to take place before interactive selection prompts.

An instance of this class for a selection option can be obtained with SelectionOption::getAdjuster() when the option is created.

Example use:

  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);
  }
* 

Public Member Functions
	SelectionOptionInfo (SelectionOptionStorage *option)
	Creates option info object for given storage object. More...

void	setValueCount (int count)
	Sets the number of selections allowed for the option. More...

void	setEvaluateVelocities (bool bEnabled)
	Sets whether this option evaluates velocities for positions. More...

void	setEvaluateForces (bool bEnabled)
	Sets whether this option evaluates forces for positions. More...

void	setOnlyAtoms (bool bEnabled)
	Sets whether this option accepts positions that come from multiple atoms. More...

void	setOnlyStatic (bool bEnabled)
	Sets whether this option accepts dynamic selections. More...

void	setDynamicMask (bool bEnabled)
	Sets whether this option uses position masks for dynamic selections. More...

Public Member Functions inherited from gmx::OptionInfo
template<class InfoType >
bool	isType () const
	Test whether the option is of a particular type. More...

template<class InfoType >
InfoType *	toType ()
	Convert the info object to a particular type if the type is correct. More...

template<class InfoType >
const InfoType *	toType () const
	Convert the info object to a particular type if the type is correct. More...

bool	isSet () const
	Returns true if the option has been set.

bool	isHidden () const
	Returns true if the option is a hidden option.

bool	isRequired () const
	Returns true if the option is required.

int	minValueCount () const
	Returns the minimum number of values that this option accepts.

int	maxValueCount () const
	Returns the maximum number of values that this option accepts.

const std::string &	name () const
	Returns the name of the option.

std::string	type () const
	Returns the type of the option as a string.

std::string	formatDescription () const
	Returns the description of the option.

std::vector< Variant >	defaultValues () const
	Returns the default value(s) of the option. More...

std::vector< std::string >	defaultValuesAsStrings () const
	Returns the default value(s) of the option as strings. More...

std::vector< Variant >	normalizeValues (const std::vector< Variant > &values) const
	Converts given values to native representation for this option. More...

Additional Inherited Members
Protected Member Functions inherited from gmx::OptionInfo
	OptionInfo (AbstractOptionStorage *option)
	Wraps a given option object. More...

AbstractOptionStorage &	option ()
	Returns the wrapped option storage object.

const AbstractOptionStorage &	option () const
	Returns the wrapped option storage object.

Constructor & Destructor Documentation

gmx::SelectionOptionInfo::SelectionOptionInfo ( SelectionOptionStorage * option )

explicit

Creates option info object for given storage object.

Does not throw.

Member Function Documentation

void gmx::SelectionOptionInfo::setDynamicMask ( bool bEnabled )

Sets whether this option uses position masks for dynamic selections.

Parameters

[in] bEnabled If true, the position masks are used.

Does not throw.

See Also: SelectionOption::dynamicMask()

void gmx::SelectionOptionInfo::setEvaluateForces ( bool bEnabled )

Sets whether this option evaluates forces for positions.

Parameters

[in] bEnabled If true, forces are evaluated.

Does not throw.

See Also: Selection::setEvaluateForces()

void gmx::SelectionOptionInfo::setEvaluateVelocities ( bool bEnabled )

Sets whether this option evaluates velocities for positions.

Parameters

[in] bEnabled If true, velocities are evaluated.

Does not throw.

See Also: Selection::setEvaluateVelocities()

void gmx::SelectionOptionInfo::setOnlyAtoms ( bool bEnabled )

Sets whether this option accepts positions that come from multiple atoms.

Parameters

[in] bEnabled If true, the option accepts only positions that evaluate to atom positions.

See Also: SelectionOption::onlyAtoms()

void gmx::SelectionOptionInfo::setOnlyStatic ( bool bEnabled )

Sets whether this option accepts dynamic selections.

Parameters

[in] bEnabled If true, the option accepts only static selections.

Exceptions

std::bad_alloc	if out of memory.
InvalidInputError	if dynamic selections have already been provided.

Strong exception safety guarantee.

See Also: SelectionOption::onlyStatic()

void gmx::SelectionOptionInfo::setValueCount ( int count )

Sets the number of selections allowed for the option.

Parameters

[in] count Number of allowed selections.

Exceptions

std::bad_alloc	if out of memory.
InvalidInputError	if values have already been provided and their count does not match.

The documentation for this class was generated from the following files:

src/gromacs/selection/selectionoption.h
src/gromacs/selection/selectionoption.cpp

Description

Public Member Functions

Additional Inherited Members

Constructor & Destructor Documentation

Member Function Documentation