Package CHEM :: Package feature :: Module ENCODER :: Class Encoder
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Class Encoder



>>> e=Encoder()
>>> p=optparse.OptionParser()
>>> e.optparse(p)
>>> (options, args)=p.parse_args('--FG_MM --FG_D=.5'.split())
>>> e.setoptions(options)
>>> F,P,G=e('CCCCC')
>>> print F
128.--33-1-b---i-70--ffz7-
>>> P=={'C3': 5, 'C3~C3~C3~C3': 2, 'C3~C3~C3': 3, 'C3~C3~C3~C3~C3': 1, 'C3~C3': 4}
True


Instance Methods [hide private]
 
__init__(self, molreader=OBMOL.OBGraphMolFactory, featurex=PATHS.PathFactory, fingergen=FingerGenerator)
 
optparse(self, parser)
 
setoptions(self, options)
 
stream(self, stream)
 
__call__(self, input)