#include <vacc.h>
Collaboration diagram for sVacc:
Data Fields | |
Vmem * | vmem |
Valist * | alist |
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 |
|
An integer array (to be treated as bitfields) of Vset type with length equal to the number of vertices in the mesh |
|
Valist structure for list of atoms |
|
The contribution to the solvent-accessible surface area from each atom. This array is filled by Vacc_totalSASA |
|
Flags for keeping track of atoms |
|
An array of arrays of atom IDs in alist |
|
Hash table grid corner |
|
Hash table grid spacings |
|
Hash table grid spacings |
|
Hash table grid spacings |
|
Maximum probe radius |
|
n = nx*nz*ny |
|
An array telling how many pointers are stored in atoms[i] |
|
The number of points in thee->sphere |
|
Hash table grid dimensions |
|
Hash table grid dimensions |
|
Hash table grid dimensions |
|
An array of points on the surface of a sphere |
|
Memory management object for this class |