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# ===============================
# brick creation
from chempy.brick import Brick
brik = Brick()
brik.setup_from_min_max(
[0.0,0.0,0.0],
[2.0,2.0,2.0],
[0.2,0.2,0.2])
# ===============================
# brick data
import math
for x in range(11):
for y in range(11):
for z in range(11):
mx=1.5*(x-5)
my=2*(y-5)
mz=3*(z-5)
brik.lvl[x,y,z]=1/math.exp(math.sqrt(mx*mx+my*my+mz*mz)/10.0)
# ===============================
# easy pickling code
#from chempy import io
#io.pkl.toFile(brik,"brick.pkb")
#brik = io.pkl.fromFile("brick.pkb")
# ===============================
# for display
#from pymol import cmd
cmd.load_brick(brik,"brick")
for a in range(6):
lvl = a/10.0+0.3
cmd.do("isomesh lvl%1.0f=brick,%0.1f" %(lvl*10,lvl))
cmd.disable()
cmd.enable("brick")
cmd.enable("lvl6")
cmd.color("red","brick")
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