bugfixing
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@ -79,9 +79,8 @@ class Criterion(object):
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'worst' :{'err':np.inf},
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'best' :{'err':np.inf}
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}
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if self.name.lower not in self.results.keys():
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raise Exception as detail:
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print detail
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if self.name.lower() not in self.results.keys():
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raise Exception('no suitable fitting criterion selected')
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else:
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print('fitting to the %s criterion'%name)
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@ -211,8 +210,12 @@ parser.add_option('-l','--load' , dest='load', type='float', nargs=3, \
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help='load: final strain; increments; time', metavar='float int float')
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parser.add_option('-g','--geometry', dest='geometry', type='string', \
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help='name of the geometry file', metavar='string')
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#parser.add_option('-c','--criterion',dest='formulas', action='extend', type='string', \
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# help='(list of) formulas corresponding to labels', metavar='<LIST>')
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parser.add_option('-c','--criterion',dest='criterion', action='extend', type='string', \ # this should be a choice
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help='(list of) formulas corresponding to labels', metavar='<LIST>')
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parser.add_option('--min', dest='min', type='string', \
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help='name of the geometry file', metavar='string')
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parser.add_option('--max', dest='max', type='string', \
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help='name of the geometry file', metavar='string')
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parser.set_defaults(load = [0.008,80,80.0])
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parser.set_defaults(geometry ='20grains16x16x16')
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