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sVacc Struct Reference
[Vacc class]

Oracle for solvent- and ion-accessibility around a biomolecule. More...

#include <vacc.h>

Collaboration diagram for sVacc:

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Data Fields

Vmem * vmem
Valistalist
int ** atomIDs
int * natoms
int * atomFlags
double ** sphere
int nsphere
Vset acc
double grid_lower_corner [3]
double hx
double hy
double hzed
int nx
int ny
int nz
int n
double max_radius
double * area

Detailed Description

Oracle for solvent- and ion-accessibility around a biomolecule.

Author:
Nathan Baker


Field Documentation

Vset sVacc::acc
 

An integer array (to be treated as bitfields) of Vset type with length equal to the number of vertices in the mesh

Valist* sVacc::alist
 

Valist structure for list of atoms

double* sVacc::area
 

The contribution to the solvent-accessible surface area from each atom. This array is filled by Vacc_totalSASA

int* sVacc::atomFlags
 

Flags for keeping track of atoms

int** sVacc::atomIDs
 

An array of arrays of atom IDs in alist

double sVacc::grid_lower_corner[3]
 

Hash table grid corner

double sVacc::hx
 

Hash table grid spacings

double sVacc::hy
 

Hash table grid spacings

double sVacc::hzed
 

Hash table grid spacings

double sVacc::max_radius
 

Maximum probe radius

int sVacc::n
 

n = nx*nz*ny

int* sVacc::natoms
 

An array telling how many pointers are stored in atoms[i]

int sVacc::nsphere
 

The number of points in thee->sphere

int sVacc::nx
 

Hash table grid dimensions

int sVacc::ny
 

Hash table grid dimensions

int sVacc::nz
 

Hash table grid dimensions

double** sVacc::sphere
 

An array of points on the surface of a sphere

Vmem* sVacc::vmem
 

Memory management object for this class


The documentation for this struct was generated from the following file:
Generated on Tue Feb 17 09:27:25 2004 for APBS by doxygen1.2.18