BALL::NumericalSAS::Default Struct Reference

#include <BALL/STRUCTURE/numericalSAS.h>

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

Detailed Description

Default values for NumericalSAS options.

Definition at line 107 of file numericalSAS.h.

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).

Definition at line 112 of file numericalSAS.h.

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).

Definition at line 122 of file numericalSAS.h.

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).

Definition at line 133 of file numericalSAS.h.

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).

Definition at line 128 of file numericalSAS.h.

const bool BALL::NumericalSAS::Default::COMPUTE_VOLUME

static

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

Definition at line 117 of file numericalSAS.h.

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)

Definition at line 140 of file numericalSAS.h.

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)

Definition at line 145 of file numericalSAS.h.