Feature/python3 -- resurrecting @wackywendell's python 3 support branch.

joe-jordan / pyvoro

2D and 3D Voronoi tessellations: a python entry point for the voro++ library

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Feature/python3 -- resurrecting @wackywendell's python 3 support branch. #11

Open joe-jordan opened 8 years ago

joe-jordan commented 8 years ago

A little while ago @wackywendell kindly made a couple of small changes for python three support and added some unit tests.

Here, I am finally adding these to the main repo. Will keep this as a PR while I check over the unit tests and code coverage.

joe-jordan commented 8 years ago

coverage gaps:

numpy array inputs
periodic boundary conditions
with/without radii
trigger voro++ error "number of cells not equal to the number of input particles" (I think this is triggered when a particle is on one of the walls, or outside the bounds?)

joe-jordan commented 8 years ago

Also, noticed that the Cython function has mutable arg defaults. It doesn't mutate them, but this should be fixed anyway.

wackywendell commented 8 years ago

Hi! Glad you were interested in doing this. Just thought I'd give you a heads up: I also wrote tess (docs here), which is another interface for voro++ with a more object-oriented interface. But its nice to also see pyvoro getting python 3 support!