checking for input errors
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@ -992,8 +992,13 @@ class Lattice:
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models={'KS':self.KS, 'GT':self.GT, "GT'":self.GTdash,
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models={'KS':self.KS, 'GT':self.GT, "GT'":self.GTdash,
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'NW':self.NW, 'Pitsch': self.Pitsch, 'Bain':self.Bain}
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'NW':self.NW, 'Pitsch': self.Pitsch, 'Bain':self.Bain}
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try:
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relationship = models[model]
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relationship = models[model]
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except:
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raise KeyError('Orientation relationship "{}" is unknown'.format(model))
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if self.lattice not in relationship['mapping']:
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raise ValueError('Relationship "{}" not supported for lattice "{}"'.format(model,self.lattice))
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r = {'lattice':Lattice((set(relationship['mapping'])-{self.lattice}).pop()), # target lattice
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r = {'lattice':Lattice((set(relationship['mapping'])-{self.lattice}).pop()), # target lattice
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'rotations':[] }
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'rotations':[] }
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