numpy is already imported
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@ -1,5 +1,3 @@
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import math
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import numpy as np
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import numpy as np
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from . import Lambert
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from . import Lambert
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@ -580,19 +578,19 @@ class Symmetry:
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Rabs = abs(rodrigues)
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Rabs = abs(rodrigues)
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if self.lattice == 'cubic':
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if self.lattice == 'cubic':
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return math.sqrt(2.0)-1.0 >= Rabs[0] \
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return np.sqrt(2.0)-1.0 >= Rabs[0] \
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and math.sqrt(2.0)-1.0 >= Rabs[1] \
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and np.sqrt(2.0)-1.0 >= Rabs[1] \
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and math.sqrt(2.0)-1.0 >= Rabs[2] \
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and np.sqrt(2.0)-1.0 >= Rabs[2] \
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and 1.0 >= Rabs[0] + Rabs[1] + Rabs[2]
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and 1.0 >= Rabs[0] + Rabs[1] + Rabs[2]
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elif self.lattice == 'hexagonal':
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elif self.lattice == 'hexagonal':
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return 1.0 >= Rabs[0] and 1.0 >= Rabs[1] and 1.0 >= Rabs[2] \
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return 1.0 >= Rabs[0] and 1.0 >= Rabs[1] and 1.0 >= Rabs[2] \
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and 2.0 >= math.sqrt(3)*Rabs[0] + Rabs[1] \
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and 2.0 >= np.sqrt(3)*Rabs[0] + Rabs[1] \
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and 2.0 >= math.sqrt(3)*Rabs[1] + Rabs[0] \
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and 2.0 >= np.sqrt(3)*Rabs[1] + Rabs[0] \
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and 2.0 >= math.sqrt(3) + Rabs[2]
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and 2.0 >= np.sqrt(3) + Rabs[2]
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elif self.lattice == 'tetragonal':
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elif self.lattice == 'tetragonal':
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return 1.0 >= Rabs[0] and 1.0 >= Rabs[1] \
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return 1.0 >= Rabs[0] and 1.0 >= Rabs[1] \
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and math.sqrt(2.0) >= Rabs[0] + Rabs[1] \
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and np.sqrt(2.0) >= Rabs[0] + Rabs[1] \
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and math.sqrt(2.0) >= Rabs[2] + 1.0
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and np.sqrt(2.0) >= Rabs[2] + 1.0
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elif self.lattice == 'orthorhombic':
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elif self.lattice == 'orthorhombic':
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return 1.0 >= Rabs[0] and 1.0 >= Rabs[1] and 1.0 >= Rabs[2]
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return 1.0 >= Rabs[0] and 1.0 >= Rabs[1] and 1.0 >= Rabs[2]
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else:
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else:
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@ -615,13 +613,13 @@ class Symmetry:
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epsilon = 0.0
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epsilon = 0.0
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if self.lattice == 'cubic':
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if self.lattice == 'cubic':
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return R[0] >= R[1]+epsilon and R[1] >= R[2]+epsilon and R[2] >= epsilon
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return R[0] >= R[1]+epsilon and R[1] >= R[2]+epsilon and R[2] >= epsilon
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elif self.lattice == 'hexagonal':
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elif self.lattice == 'hexagonal':
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return R[0] >= math.sqrt(3)*(R[1]-epsilon) and R[1] >= epsilon and R[2] >= epsilon
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return R[0] >= np.sqrt(3)*(R[1]-epsilon) and R[1] >= epsilon and R[2] >= epsilon
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elif self.lattice == 'tetragonal':
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elif self.lattice == 'tetragonal':
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return R[0] >= R[1]-epsilon and R[1] >= epsilon and R[2] >= epsilon
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return R[0] >= R[1]-epsilon and R[1] >= epsilon and R[2] >= epsilon
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elif self.lattice == 'orthorhombic':
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elif self.lattice == 'orthorhombic':
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return R[0] >= epsilon and R[1] >= epsilon and R[2] >= epsilon
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return R[0] >= epsilon and R[1] >= epsilon and R[2] >= epsilon
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else:
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else:
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return True
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return True
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