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Here's a diagram of following the faces-touching rule. The center voxel is black, the one-voxel radius surrounds red, the two-voxel radius surrounds purple, and the three-voxel radius surrounds blue.
This gives 1 + 9 + 21 + 24 + 21 + 9 + 1 = 86 surrounding voxels for the three-voxel radius.
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This shape is not quite symmetrical: there are four voxels to the left, right, front, and back of the center voxel but only two above and below.
Anyone know if this is what pyMVPA does?
UPDATE: Neither of these sketches is correct, see pyMVPA searchlight: solved.
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