import numpy as np
from gridData import Grid
h, edges = np.histogramdd(np.random.random((100, 3)), bins=10)
g = Grid(h, edges)
g.export("grid.dx")
fails with NotImplementedError: Only regularly spaced grids allowed even though it should just write the dx file. This was also mentioned in MDAnalysis/mdanalysis#544 .
It's not really clear since when this is failing because that's core functionality that worked previously.
fails with NotImplementedError: Only regularly spaced grids allowed even though it should just write the dx file. This was also mentioned in MDAnalysis/mdanalysis#544 .
It's not really clear since when this is failing because that's core functionality that worked previously.