Merge branch 'python-improvements' into 'development'
Python improvements See merge request damask/DAMASK!335
This commit is contained in:
Philip Eisenlohr
commit
8933dd8562
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@ -1,3 +1,5 @@
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import inspect
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import numpy as np
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from . import Rotation
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@ -7,7 +9,7 @@ from . import tensor
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_parameter_doc = \
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"""lattice : str
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Either a crystal family out of [triclinic, monoclinic, orthorhombic, tetragonal, hexagonal, cubic]
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or a Bravais lattice out of [aP, mP, mS, oP, oS, oI, oF, tP, tI, hP, cP, cI, cF].
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or a Bravais lattice out of [aP, mP, mS, oP, oS, oI, oF, tP, tI, hP, cP, cI, cF].
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When specifying a Bravais lattice, additional lattice parameters might be required:
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a : float, optional
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Length of lattice parameter "a".
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@ -107,8 +109,7 @@ class Orientation(Rotation):
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lattice = None,
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a = None,b = None,c = None,
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alpha = None,beta = None,gamma = None,
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degrees = False,
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**kwargs):
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degrees = False):
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"""
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Initialize orientation object.
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@ -263,70 +264,112 @@ class Orientation(Rotation):
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raise TypeError('Use "O@b", i.e. matmul, to apply Orientation "O" to object "b"')
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@staticmethod
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def _split_kwargs(kwargs,target):
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"""
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Separate keyword arguments in 'kwargs' targeted at 'target' from general keyword arguments of Orientation objects.
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Parameters
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----------
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kwargs : dictionary
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Contains all **kwargs.
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target: method
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Function to scan for kwarg signature.
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Returns
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-------
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rot_kwargs: dictionary
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Valid keyword arguments of 'target' function of Rotation class.
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ori_kwargs: dictionary
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Valid keyword arguments of Orientation object.
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"""
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kws = ()
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for t in (target,Orientation.__init__):
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kws += ({key: kwargs[key] for key in set(inspect.signature(t).parameters) & set(kwargs)},)
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invalid_keys = set(kwargs)-(set(kws[0])|set(kws[1]))
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if invalid_keys:
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raise TypeError(f"{inspect.stack()[1][3]}() got an unexpected keyword argument '{invalid_keys.pop()}'")
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return kws
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@classmethod
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@util.extended_docstring(Rotation.from_random,_parameter_doc)
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def from_random(cls,**kwargs):
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return cls(rotation=Rotation.from_random(**kwargs),**kwargs)
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kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_random)
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return cls(rotation=Rotation.from_random(**kwargs_rot),**kwargs_ori)
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@classmethod
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@util.extended_docstring(Rotation.from_quaternion,_parameter_doc)
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def from_quaternion(cls,**kwargs):
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return cls(rotation=Rotation.from_quaternion(**kwargs),**kwargs)
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kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_quaternion)
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return cls(rotation=Rotation.from_quaternion(**kwargs_rot),**kwargs_ori)
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@classmethod
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@util.extended_docstring(Rotation.from_Euler_angles,_parameter_doc)
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def from_Euler_angles(cls,**kwargs):
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return cls(rotation=Rotation.from_Euler_angles(**kwargs),**kwargs)
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kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_Euler_angles)
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return cls(rotation=Rotation.from_Euler_angles(**kwargs_rot),**kwargs_ori)
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@classmethod
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@util.extended_docstring(Rotation.from_axis_angle,_parameter_doc)
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def from_axis_angle(cls,**kwargs):
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return cls(rotation=Rotation.from_axis_angle(**kwargs),**kwargs)
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kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_axis_angle)
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return cls(rotation=Rotation.from_axis_angle(**kwargs_rot),**kwargs_ori)
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@classmethod
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@util.extended_docstring(Rotation.from_basis,_parameter_doc)
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def from_basis(cls,**kwargs):
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return cls(rotation=Rotation.from_basis(**kwargs),**kwargs)
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kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_basis)
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return cls(rotation=Rotation.from_basis(**kwargs_rot),**kwargs_ori)
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@classmethod
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@util.extended_docstring(Rotation.from_matrix,_parameter_doc)
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def from_matrix(cls,**kwargs):
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return cls(rotation=Rotation.from_matrix(**kwargs),**kwargs)
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kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_matrix)
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return cls(rotation=Rotation.from_matrix(**kwargs_rot),**kwargs_ori)
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@classmethod
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@util.extended_docstring(Rotation.from_Rodrigues_vector,_parameter_doc)
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def from_Rodrigues_vector(cls,**kwargs):
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return cls(rotation=Rotation.from_Rodrigues_vector(**kwargs),**kwargs)
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kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_Rodrigues_vector)
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return cls(rotation=Rotation.from_Rodrigues_vector(**kwargs_rot),**kwargs_ori)
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@classmethod
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@util.extended_docstring(Rotation.from_homochoric,_parameter_doc)
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def from_homochoric(cls,**kwargs):
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return cls(rotation=Rotation.from_homochoric(**kwargs),**kwargs)
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kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_homochoric)
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return cls(rotation=Rotation.from_homochoric(**kwargs_rot),**kwargs_ori)
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@classmethod
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@util.extended_docstring(Rotation.from_cubochoric,_parameter_doc)
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def from_cubochoric(cls,**kwargs):
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return cls(rotation=Rotation.from_cubochoric(**kwargs),**kwargs)
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kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_cubochoric)
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return cls(rotation=Rotation.from_cubochoric(**kwargs_rot),**kwargs_ori)
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@classmethod
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@util.extended_docstring(Rotation.from_spherical_component,_parameter_doc)
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def from_spherical_component(cls,**kwargs):
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return cls(rotation=Rotation.from_spherical_component(**kwargs),**kwargs)
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kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_spherical_component)
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return cls(rotation=Rotation.from_spherical_component(**kwargs_rot),**kwargs_ori)
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@classmethod
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@util.extended_docstring(Rotation.from_fiber_component,_parameter_doc)
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def from_fiber_component(cls,**kwargs):
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return cls(rotation=Rotation.from_fiber_component(**kwargs),**kwargs)
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kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_fiber_component)
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return cls(rotation=Rotation.from_fiber_component(**kwargs_rot),**kwargs_ori)
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@classmethod
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@ -502,8 +502,8 @@ class Rotation:
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Returns
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-------
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c : numpy.ndarray of shape (...,3)
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Cubochoric vector: (c_1, c_2, c_3), max(c_i) < 1/2*π^(2/3).
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x : numpy.ndarray of shape (...,3)
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Cubochoric vector: (x_1, x_2, x_3), max(x_i) < 1/2*π^(2/3).
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"""
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return Rotation._qu2cu(self.quaternion)
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@ -514,8 +514,7 @@ class Rotation:
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@staticmethod
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def from_quaternion(q,
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accept_homomorph = False,
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P = -1,
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**kwargs):
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P = -1):
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"""
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Initialize from quaternion.
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@ -550,8 +549,7 @@ class Rotation:
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@staticmethod
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def from_Euler_angles(phi,
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degrees = False,
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**kwargs):
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degrees = False):
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"""
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Initialize from Bunge-Euler angles.
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@ -578,8 +576,7 @@ class Rotation:
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def from_axis_angle(axis_angle,
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degrees = False,
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normalize = False,
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P = -1,
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**kwargs):
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P = -1):
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"""
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Initialize from Axis angle pair.
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@ -616,8 +613,7 @@ class Rotation:
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@staticmethod
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def from_basis(basis,
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orthonormal = True,
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reciprocal = False,
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**kwargs):
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reciprocal = False):
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"""
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Initialize from lattice basis vectors.
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@ -651,7 +647,7 @@ class Rotation:
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return Rotation(Rotation._om2qu(om))
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@staticmethod
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def from_matrix(R,**kwargs):
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def from_matrix(R):
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"""
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Initialize from rotation matrix.
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@ -695,8 +691,7 @@ class Rotation:
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@staticmethod
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def from_Rodrigues_vector(rho,
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normalize = False,
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P = -1,
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**kwargs):
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P = -1):
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"""
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Initialize from Rodrigues-Frank vector (angle separated from axis).
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@ -727,8 +722,7 @@ class Rotation:
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@staticmethod
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def from_homochoric(h,
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P = -1,
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**kwargs):
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P = -1):
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"""
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Initialize from homochoric vector.
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@ -754,21 +748,20 @@ class Rotation:
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return Rotation(Rotation._ho2qu(ho))
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@staticmethod
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def from_cubochoric(c,
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P = -1,
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**kwargs):
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def from_cubochoric(x,
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P = -1):
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"""
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Initialize from cubochoric vector.
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Parameters
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----------
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c : numpy.ndarray of shape (...,3)
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Cubochoric vector: (c_1, c_2, c_3), max(c_i) < 1/2*π^(2/3).
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x : numpy.ndarray of shape (...,3)
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Cubochoric vector: (x_1, x_2, x_3), max(x_i) < 1/2*π^(2/3).
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P : int ∈ {-1,1}, optional
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Convention used. Defaults to -1.
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"""
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cu = np.array(c,dtype=float)
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cu = np.array(x,dtype=float)
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if cu.shape[:-2:-1] != (3,):
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raise ValueError('Invalid shape.')
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if abs(P) != 1:
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@ -784,8 +777,7 @@ class Rotation:
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@staticmethod
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def from_random(shape = None,
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rng_seed = None,
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**kwargs):
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rng_seed = None):
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"""
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Draw random rotation.
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@ -878,8 +870,7 @@ class Rotation:
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sigma,
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N = 500,
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degrees = True,
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rng_seed = None,
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**kwargs):
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rng_seed = None):
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"""
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Calculate set of rotations with Gaussian distribution around center.
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@ -915,8 +906,7 @@ class Rotation:
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sigma = 0.0,
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N = 500,
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degrees = True,
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rng_seed = None,
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**kwargs):
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rng_seed = None):
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"""
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Calculate set of rotations with Gaussian distribution around direction.
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@ -118,7 +118,7 @@ class TestOrientation:
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== np.eye(3))
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def test_from_cubochoric(self):
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assert np.all(Orientation.from_cubochoric(c=np.zeros(3),lattice='triclinic').as_matrix()
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assert np.all(Orientation.from_cubochoric(x=np.zeros(3),lattice='triclinic').as_matrix()
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== np.eye(3))
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def test_from_spherical_component(self):
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@ -141,7 +141,7 @@ class TestOrientation:
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dict(lattice='hP',a=1.0 ),
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dict(lattice='cI',a=1.0, ),
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])
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def test_from_direction(self,kwargs):
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def test_from_directions(self,kwargs):
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for a,b in np.random.random((10,2,3)):
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c = np.cross(b,a)
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if np.all(np.isclose(c,0)): continue
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@ -151,6 +151,21 @@ class TestOrientation:
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assert np.isclose(np.dot(x/np.linalg.norm(x),np.array([1,0,0])),1) \
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and np.isclose(np.dot(z/np.linalg.norm(z),np.array([0,0,1])),1)
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@pytest.mark.parametrize('function',[Orientation.from_random,
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Orientation.from_quaternion,
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Orientation.from_Euler_angles,
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Orientation.from_axis_angle,
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Orientation.from_basis,
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Orientation.from_matrix,
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Orientation.from_Rodrigues_vector,
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Orientation.from_homochoric,
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Orientation.from_cubochoric,
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Orientation.from_spherical_component,
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Orientation.from_fiber_component,
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Orientation.from_directions])
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def test_invalid_from(self,function):
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with pytest.raises(TypeError):
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function(c=.1,degrees=True,invalid=66)
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def test_negative_angle(self):
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with pytest.raises(ValueError):
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