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Backported PROPKA code base to Python2.

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Now this same code can be run with either Python2.7 or Python3.
This commit is contained in:
Matvey Adzhigirey
2012-12-04 14:52:52 -08:00
committed by Mike Beachy
parent 2aaf2d3a48
commit cfab0bbe69
8 changed files with 12 additions and 6 deletions
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7
Source/bonds.py
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@@ -1,3 +1,4 @@
from __future__ import division
import pickle,sys,os,math,Source.calculations
@@ -350,9 +351,9 @@ class bondmaker:
#print('z range: [%6.2f;%6.2f] %6.2f'%(zmin,zmax,zlen))
# how many boxes do we need in each dimension?
self.no_box_x = max(1, math.ceil(xlen/box_size))
self.no_box_y = max(1, math.ceil(ylen/box_size))
self.no_box_z = max(1, math.ceil(zlen/box_size))
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)))
#print('No. box x: %6.2f'%self.no_box_x)
#print('No. box y: %6.2f'%self.no_box_y)