/usr/include/gromacs/selection/selectionenums.h

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/*! \file
 * \brief
 * Declares common types used in selections.
 *
 * \author Teemu Murtola <teemu.murtola@gmail.com>
 * \ingroup module_selection
 */
#ifndef GMX_SELECTION_SELECTIONENUMS_H
#define GMX_SELECTION_SELECTIONENUMS_H

#include "gromacs/utility/flags.h"

/*! \brief
 * Defines the type of covered fraction.
 *
 * \inpublicapi
 */
typedef enum
{
    CFRAC_NONE,         /**< No covered fraction (everything covered). */
    CFRAC_SOLIDANGLE    /**< Fraction of a solid (3D) angle covered. */
} e_coverfrac_t;

namespace gmx
{

/*! \cond internal */
/*! \brief
 * Flags for options.
 *
 * These flags are not part of the public interface, even though they are in an
 * installed header.  They are needed in the implementation of SelectionOption.
 */
enum SelectionFlag
{
    efSelection_OnlyStatic              = 1<<0,
    efSelection_OnlyAtoms               = 1<<1,
    efSelection_OnlySorted              = 1<<2,
    //! Whether ::POS_MASKONLY should be used for output position evaluation.
    efSelection_DynamicMask             = 1<<3,
    //! If set, unconditionally empty selections result in compilation errors.
    efSelection_DisallowEmpty           = 1<<4,
    //! Whether velocities of output positions should be evaluated.
    efSelection_EvaluateVelocities      = 1<<5,
    //! Whether forces on output positions should be evaluated.
    efSelection_EvaluateForces          = 1<<6,
};

//! Holds a collection of ::SelectionFlag values.
typedef FlagsTemplate<SelectionFlag> SelectionFlags;
//! \endcond

/*! \brief
 * Describes topology properties required for selection evaluation.
 *
 * See SelectionCollection::requiredTopologyProperties().
 *
 * \inpublicapi
 * \ingroup module_selection
 */
struct SelectionTopologyProperties
{
    //! Returns a property object that requires generic topology info.
    static SelectionTopologyProperties topology()
    {
        return SelectionTopologyProperties(true, false);
    }
    //! Returns a property object that requires atom masses.
    static SelectionTopologyProperties masses()
    {
        return SelectionTopologyProperties(true, true);
    }

    //! Initializes properties that does not require anything.
    SelectionTopologyProperties()
        : needsTopology(false), needsMasses(false)
    {
    }
    //! Initializes properties with the given flags.
    SelectionTopologyProperties(bool needsTopology, bool needsMasses)
        : needsTopology(needsTopology), needsMasses(needsMasses)
    {
    }

    //! Combines flags from another properties object to this.
    void merge(const SelectionTopologyProperties &other)
    {
        needsTopology = needsTopology || other.needsTopology;
        needsMasses   = needsMasses || other.needsMasses;
    }
    //! Whether all flags are `true` (for short-ciruiting logic).
    bool hasAll() const { return needsTopology && needsMasses; }
    //! Whether any flag is `true`.
    bool hasAny() const { return needsTopology || needsMasses; }

    //! Whether topology information is needed for selection evaluation.
    bool needsTopology;
    //! Whether atom masses are needed for selection evaluation.
    bool needsMasses;
};

}

#endif
libgromacs-dev 2018.1-1 / usr / include / gromacs / selection / selectionenums.h
