from frowns.MDL import mdlin
from frowns.Utils import SaturatedRings
from frowns.perception import RingDetection,BasicAromaticity,sssr
#transforms = [RingDetection.sssr, BasicAromaticity.aromatize]
file = open("data/really_bad_saturation.mol")
reader = mdlin(file)
m = reader.next()
print len(m.cycles)
#file = open("data/bad_saturation_molecule.mol")
#reader = mdlin(file)
#m2 = reader.next()
s = SaturatedRings.getSaturationScore(m)
print "saturation", s
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