#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 |
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|
Hash table grid spacings |
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Hash table grid spacings |
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|
Hash table grid spacings |
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|
Maximum probe radius |
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|
n = nx*nz*ny |
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|
An array telling how many pointers are stored in atoms[i] |
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The number of points in thee->sphere |
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Hash table grid dimensions |
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Hash table grid dimensions |
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Hash table grid dimensions |
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An array of points on the surface of a sphere |
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|
Memory management object for this class |
1.3-rc3