diff --git a/propka/bonds.py b/propka/bonds.py index c0f7e71..e199858 100644 --- a/propka/bonds.py +++ b/propka/bonds.py @@ -354,8 +354,9 @@ class bondmaker: #print('z range: [%6.2f;%6.2f] %6.2f'%(zmin,zmax,zlen)) # how many boxes do we need in each dimension? - # NOTE: math.ceil() returns an int in python3 and a float in python2, - # so we need to cast it to int for range() to work. + # NOTE: math.ceil() returns an int in python3 and a float in + # python2, so we need to convert it to an int for range() to work in + # both versions. See PEP 3141. self.no_box_x = max(1, int(math.ceil(xlen/box_size))) self.no_box_y = max(1, int(math.ceil(ylen/box_size))) self.no_box_z = max(1, int(math.ceil(zlen/box_size)))