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DAMASK_EICMD
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small changes in logic for type hints

This commit is contained in:
Martin Diehl 2022-01-27 08:53:27 +01:00
parent f1a53e7271
commit 4ca501c73f
1 changed files with 6 additions and 10 deletions
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16
python/damask/_crystal.py
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@ -33,9 +33,9 @@ class Crystal():
def __init__(self,*, def __init__(self,*,
family = None, family = None,
lattice = None, lattice = None,
a = None,b = None,c = None, a: float = None, b: float = None, c: float = None,
alpha = None,beta = None,gamma = None, alpha: float = None, beta: float = None, gamma: float = None,
degrees = False): degrees: bool = False):
""" """
Representation of crystal in terms of crystal family or Bravais lattice. Representation of crystal in terms of crystal family or Bravais lattice.
@ -62,7 +62,7 @@ class Crystal():
Angles are given in degrees. Defaults to False. Angles are given in degrees. Defaults to False.
""" """
if family not in [None] + list(lattice_symmetries.values()): if family is not None and family not in list(lattice_symmetries.values()):
raise KeyError(f'invalid crystal family "{family}"') raise KeyError(f'invalid crystal family "{family}"')
if lattice is not None and family is not None and family != lattice_symmetries[lattice]: if lattice is not None and family is not None and family != lattice_symmetries[lattice]:
raise KeyError(f'incompatible family "{family}" for lattice "{lattice}"') raise KeyError(f'incompatible family "{family}" for lattice "{lattice}"')
@ -107,9 +107,6 @@ class Crystal():
if np.any([np.roll([self.alpha,self.beta,self.gamma],r)[0] if np.any([np.roll([self.alpha,self.beta,self.gamma],r)[0]
>= np.sum(np.roll([self.alpha,self.beta,self.gamma],r)[1:]) for r in range(3)]): >= np.sum(np.roll([self.alpha,self.beta,self.gamma],r)[1:]) for r in range(3)]):
raise ValueError ('each lattice angle must be less than sum of others') raise ValueError ('each lattice angle must be less than sum of others')
else:
self.a = self.b = self.c = None
self.alpha = self.beta = self.gamma = None
def __repr__(self): def __repr__(self):
@ -139,8 +136,7 @@ class Crystal():
@property @property
def parameters(self): def parameters(self):
"""Return lattice parameters a, b, c, alpha, beta, gamma.""" """Return lattice parameters a, b, c, alpha, beta, gamma."""
return (self.a,self.b,self.c,self.alpha,self.beta,self.gamma) if hasattr(self,'a'): return (self.a,self.b,self.c,self.alpha,self.beta,self.gamma)
@property @property
def immutable(self): def immutable(self):
@ -269,7 +265,7 @@ class Crystal():
https://doi.org/10.1063/1.1661333 https://doi.org/10.1063/1.1661333
""" """
if None in self.parameters: if self.parameters is None:
raise KeyError('missing crystal lattice parameters') raise KeyError('missing crystal lattice parameters')
return np.array([ return np.array([
[1,0,0], [1,0,0],