enable one grid point along all directions
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@ -200,6 +200,10 @@ def cell_coord0_2_DNA(coord0,ordered=True):
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size = grid/np.maximum(grid-1,1) * (maxcorner-mincorner)
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size = grid/np.maximum(grid-1,1) * (maxcorner-mincorner)
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delta = size/grid
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delta = size/grid
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origin = mincorner - delta*.5
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origin = mincorner - delta*.5
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# 1D/2D: size/origin combination undefined, set origin to 0.0
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size [np.where(grid==1)] = origin[np.where(grid==1)]*2.
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origin[np.where(grid==1)] = 0.0
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if grid.prod() != len(coord0):
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if grid.prod() != len(coord0):
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raise ValueError('Data count {} does not match grid {}.'.format(len(coord0),grid))
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raise ValueError('Data count {} does not match grid {}.'.format(len(coord0),grid))
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