Inverse of Box.wrap

[Bryan Vansaders]

It would be useful to have a function that reverses Box.wrap robustly. For instance to put the points returned by NearestNeighbors.getNeighbors into a compact neighbor shell

[Matthew Spellings]

Could you expand a bit more on what you mean?

[Bryan Vansaders]

I asked Eric about this and he told me to make an issue: I think he has something in mind. A better way to say what I meant is a function that re-centers the box on a coordinate within it. This would be used to easily examine features that had been split by the periodic boundaries.

I just ended up doing this for myself:

(p is the index of a point)

L = np.array(nn.getBox().getL())[0]

shell = positions[frame,nn.getNeighbors(p)]

pos = positions[frame,p,:]

shell = np.mod((shell-pos+L/4), L/2) - L/4

This re-assembles a neighbor shell back into one peice

[Eric Harper]

It actually looks like there is an unwrap function, but it isn't exposed. This should be easy to expose.

[Eric Harper]

Resolves Issue#93 and Issue#55

Wraps vectors of any length and will unwrap a vector into a given image

→ <<cset 3c12d56a80e0>>

[Eric Harper]

Resolves Issue#93 and Issue#55

Wraps vectors of any length and will unwrap a vector into a given image

→ <<cset 3c12d56a80e0>>