smores.VoxelGrid#

class smores.VoxelGrid(voxels, voxel_size, voxel_origin)[source]#

Bases: object

A 3-D grid of voxels holding electrostatic potentials.

Methods

Attributes

voxels

The voxels of the grid, represented as a 3-D array.

voxel_size

The length of a single voxel along the x, y and z dimensions.

voxel_origin

The origin of voxels.

Parameters:
voxel_origin: ndarray[Any, dtype[ScalarType]]#

The origin of voxels.

voxel_size: ndarray[Any, dtype[ScalarType]]#

The length of a single voxel along the x, y and z dimensions.

voxels: ndarray[Any, dtype[ScalarType]]#

The voxels of the grid, represented as a 3-D array.