BALL::NumericalSAS::Default Struct Reference

#include <BALL/STRUCTURE/numericalSAS.h>

List of all members.

Static Public Attributes
static const bool	COMPUTE_AREA
static const bool	COMPUTE_VOLUME
static const bool	COMPUTE_SURFACE
static const bool	COMPUTE_SURFACE_PER_ATOM
static const bool	COMPUTE_SURFACE_MAP
static const Size	NUMBER_OF_POINTS
static const float	PROBE_RADIUS

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Detailed Description

Default values for NumericalSAS options.

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Member Data Documentation

const bool BALL::NumericalSAS::Default::COMPUTE_AREA [static]

This flag decides whether total area and area per atom will be computed (default = true).

const bool BALL::NumericalSAS::Default::COMPUTE_SURFACE [static]

This flag decides whether surface points and normals will be explicitly computed and stored in the class (default = false).

const bool BALL::NumericalSAS::Default::COMPUTE_SURFACE_MAP [static]

This flag decides whether a vector of (atom center, surface) per atom will be explicitly computed and stored in the class (default = false).

const bool BALL::NumericalSAS::Default::COMPUTE_SURFACE_PER_ATOM [static]

This flag decides whether surface points and normals per atom will be explicitly computed and stored in the class (default = false).

const bool BALL::NumericalSAS::Default::COMPUTE_VOLUME [static]

This flag decides whether total volume and volume per atom will be computed (default = true).

const Size BALL::NumericalSAS::Default::NUMBER_OF_POINTS [static]

Default number of point samples per sphere (400). Please note that this number is a lower limit, since sampling is performed through icosahedron or dodecahedron refinement that cannot produce arbitrary point numbers. (

See also:

Option::NUMBER_OF_POINTS)

const float BALL::NumericalSAS::Default::PROBE_RADIUS [static]

Default radius of the spherical probe used for the SAS definition (1.5 ). (

See also:

Option::PROBE_RADIUS)