BALL::NumericalSAS::NumericalSAS::Default Struct Reference

Default values for NumericalSAS options. More...

#include <numericalSAS.h>

List of all members.

Static Public Attributes
static const bool	COMPUTE_AREA
	This flag decides whether total area and area per atom will be computed (default = true).
static const bool	COMPUTE_VOLUME
	This flag decides whether total volume and volume per atom will be computed (default = true).
static const bool	COMPUTE_SURFACE
	This flag decides whether surface points and normals will be explicitly computed and stored in the class (default = false).
static const bool	COMPUTE_SURFACE_PER_ATOM
	This flag decides whether surface points and normals per atom will be explicitly computed and stored in the class (default = false).
static const bool	COMPUTE_SURFACE_MAP
	This flag decides whether a vector of (atom center, surface) per atom will be explicitly computed and stored in the class (default = false).
static const Size	NUMBER_OF_POINTS
	Default number of point samples per sphere (400).
static const float	PROBE_RADIUS
	Default radius of the spherical probe used for the SAS definition (1.5 ).

---

Detailed Description

Default values for NumericalSAS options.

---

Member Data Documentation

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

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

(

See also:

Option::PROBE_RADIUS)