MDAnalysis / cellgrid

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CellGrids and capped_distance are always periodic #1

Open richardjgowers opened 8 years ago

richardjgowers commented 8 years ago

CellGrids currently are always periodic.

Things that might need fixing:

Desired features:

For non periodic searches, the capped_distance functions shouldn't need a box given, and instead the max and min in each dimension should then define the box.

core.CellGrid should accept periodic as a kwarg and function properly (__eq__ method for instance)