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Merge branch 'python-improvements' into 'development' 

Python improvements

See merge request damask/DAMASK!335
This commit is contained in:
Philip Eisenlohr 2021-02-15 17:57:45 +00:00
parent 2676837578 89e8ca4535
commit 8933dd8562
3 changed files with 91 additions and 43 deletions
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69
python/damask/_orientation.py
View File

@ -1,3 +1,5 @@
import inspect
import numpy as np
from . import Rotation
@ -107,8 +109,7 @@ class Orientation(Rotation):
lattice = None,
a = None,b = None,c = None,
alpha = None,beta = None,gamma = None,
degrees = False,
**kwargs):
degrees = False):
"""
Initialize orientation object.
@ -263,70 +264,112 @@ class Orientation(Rotation):
raise TypeError('Use "O@b", i.e. matmul, to apply Orientation "O" to object "b"')
@staticmethod
def _split_kwargs(kwargs,target):
"""
Separate keyword arguments in 'kwargs' targeted at 'target' from general keyword arguments of Orientation objects.
Parameters
----------
kwargs : dictionary
Contains all **kwargs.
target: method
Function to scan for kwarg signature.
Returns
-------
rot_kwargs: dictionary
Valid keyword arguments of 'target' function of Rotation class.
ori_kwargs: dictionary
Valid keyword arguments of Orientation object.
"""
kws = ()
for t in (target,Orientation.__init__):
kws += ({key: kwargs[key] for key in set(inspect.signature(t).parameters) & set(kwargs)},)
invalid_keys = set(kwargs)-(set(kws[0])|set(kws[1]))
if invalid_keys:
raise TypeError(f"{inspect.stack()[1][3]}() got an unexpected keyword argument '{invalid_keys.pop()}'")
return kws
@classmethod
@util.extended_docstring(Rotation.from_random,_parameter_doc)
def from_random(cls,**kwargs):
return cls(rotation=Rotation.from_random(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_random)
return cls(rotation=Rotation.from_random(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_quaternion,_parameter_doc)
def from_quaternion(cls,**kwargs):
return cls(rotation=Rotation.from_quaternion(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_quaternion)
return cls(rotation=Rotation.from_quaternion(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_Euler_angles,_parameter_doc)
def from_Euler_angles(cls,**kwargs):
return cls(rotation=Rotation.from_Euler_angles(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_Euler_angles)
return cls(rotation=Rotation.from_Euler_angles(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_axis_angle,_parameter_doc)
def from_axis_angle(cls,**kwargs):
return cls(rotation=Rotation.from_axis_angle(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_axis_angle)
return cls(rotation=Rotation.from_axis_angle(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_basis,_parameter_doc)
def from_basis(cls,**kwargs):
return cls(rotation=Rotation.from_basis(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_basis)
return cls(rotation=Rotation.from_basis(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_matrix,_parameter_doc)
def from_matrix(cls,**kwargs):
return cls(rotation=Rotation.from_matrix(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_matrix)
return cls(rotation=Rotation.from_matrix(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_Rodrigues_vector,_parameter_doc)
def from_Rodrigues_vector(cls,**kwargs):
return cls(rotation=Rotation.from_Rodrigues_vector(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_Rodrigues_vector)
return cls(rotation=Rotation.from_Rodrigues_vector(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_homochoric,_parameter_doc)
def from_homochoric(cls,**kwargs):
return cls(rotation=Rotation.from_homochoric(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_homochoric)
return cls(rotation=Rotation.from_homochoric(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_cubochoric,_parameter_doc)
def from_cubochoric(cls,**kwargs):
return cls(rotation=Rotation.from_cubochoric(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_cubochoric)
return cls(rotation=Rotation.from_cubochoric(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_spherical_component,_parameter_doc)
def from_spherical_component(cls,**kwargs):
return cls(rotation=Rotation.from_spherical_component(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_spherical_component)
return cls(rotation=Rotation.from_spherical_component(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_fiber_component,_parameter_doc)
def from_fiber_component(cls,**kwargs):
return cls(rotation=Rotation.from_fiber_component(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_fiber_component)
return cls(rotation=Rotation.from_fiber_component(**kwargs_rot),**kwargs_ori)
@classmethod

44
python/damask/_rotation.py
View File

@ -502,8 +502,8 @@ class Rotation:
Returns
-------
c : numpy.ndarray of shape (...,3)
Cubochoric vector: (c_1, c_2, c_3), max(c_i) < 1/2*π^(2/3).
x : numpy.ndarray of shape (...,3)
Cubochoric vector: (x_1, x_2, x_3), max(x_i) < 1/2*π^(2/3).
"""
return Rotation._qu2cu(self.quaternion)
@ -514,8 +514,7 @@ class Rotation:
@staticmethod
def from_quaternion(q,
accept_homomorph = False,
P = -1,
**kwargs):
P = -1):
"""
Initialize from quaternion.
@ -550,8 +549,7 @@ class Rotation:
@staticmethod
def from_Euler_angles(phi,
degrees = False,
**kwargs):
degrees = False):
"""
Initialize from Bunge-Euler angles.
@ -578,8 +576,7 @@ class Rotation:
def from_axis_angle(axis_angle,
degrees = False,
normalize = False,
P = -1,
**kwargs):
P = -1):
"""
Initialize from Axis angle pair.
@ -616,8 +613,7 @@ class Rotation:
@staticmethod
def from_basis(basis,
orthonormal = True,
reciprocal = False,
**kwargs):
reciprocal = False):
"""
Initialize from lattice basis vectors.
@ -651,7 +647,7 @@ class Rotation:
return Rotation(Rotation._om2qu(om))
@staticmethod
def from_matrix(R,**kwargs):
def from_matrix(R):
"""
Initialize from rotation matrix.
@ -695,8 +691,7 @@ class Rotation:
@staticmethod
def from_Rodrigues_vector(rho,
normalize = False,
P = -1,
**kwargs):
P = -1):
"""
Initialize from Rodrigues-Frank vector (angle separated from axis).
@ -727,8 +722,7 @@ class Rotation:
@staticmethod
def from_homochoric(h,
P = -1,
**kwargs):
P = -1):
"""
Initialize from homochoric vector.
@ -754,21 +748,20 @@ class Rotation:
return Rotation(Rotation._ho2qu(ho))
@staticmethod
def from_cubochoric(c,
P = -1,
**kwargs):
def from_cubochoric(x,
P = -1):
"""
Initialize from cubochoric vector.
Parameters
----------
c : numpy.ndarray of shape (...,3)
Cubochoric vector: (c_1, c_2, c_3), max(c_i) < 1/2*π^(2/3).
x : numpy.ndarray of shape (...,3)
Cubochoric vector: (x_1, x_2, x_3), max(x_i) < 1/2*π^(2/3).
P : int ∈ {-1,1}, optional
Convention used. Defaults to -1.
"""
cu = np.array(c,dtype=float)
cu = np.array(x,dtype=float)
if cu.shape[:-2:-1] != (3,):
raise ValueError('Invalid shape.')
if abs(P) != 1:
@ -784,8 +777,7 @@ class Rotation:
@staticmethod
def from_random(shape = None,
rng_seed = None,
**kwargs):
rng_seed = None):
"""
Draw random rotation.
@ -878,8 +870,7 @@ class Rotation:
sigma,
N = 500,
degrees = True,
rng_seed = None,
**kwargs):
rng_seed = None):
"""
Calculate set of rotations with Gaussian distribution around center.
@ -915,8 +906,7 @@ class Rotation:
sigma = 0.0,
N = 500,
degrees = True,
rng_seed = None,
**kwargs):
rng_seed = None):
"""
Calculate set of rotations with Gaussian distribution around direction.

19
python/tests/test_Orientation.py
View File

@ -118,7 +118,7 @@ class TestOrientation:
== np.eye(3))
def test_from_cubochoric(self):
assert np.all(Orientation.from_cubochoric(c=np.zeros(3),lattice='triclinic').as_matrix()
assert np.all(Orientation.from_cubochoric(x=np.zeros(3),lattice='triclinic').as_matrix()
== np.eye(3))
def test_from_spherical_component(self):
@ -141,7 +141,7 @@ class TestOrientation:
dict(lattice='hP',a=1.0 ),
dict(lattice='cI',a=1.0, ),
])
def test_from_direction(self,kwargs):
def test_from_directions(self,kwargs):
for a,b in np.random.random((10,2,3)):
c = np.cross(b,a)
if np.all(np.isclose(c,0)): continue
@ -151,6 +151,21 @@ class TestOrientation:
assert np.isclose(np.dot(x/np.linalg.norm(x),np.array([1,0,0])),1) \
and np.isclose(np.dot(z/np.linalg.norm(z),np.array([0,0,1])),1)
@pytest.mark.parametrize('function',[Orientation.from_random,
Orientation.from_quaternion,
Orientation.from_Euler_angles,
Orientation.from_axis_angle,
Orientation.from_basis,
Orientation.from_matrix,
Orientation.from_Rodrigues_vector,
Orientation.from_homochoric,
Orientation.from_cubochoric,
Orientation.from_spherical_component,
Orientation.from_fiber_component,
Orientation.from_directions])
def test_invalid_from(self,function):
with pytest.raises(TypeError):
function(c=.1,degrees=True,invalid=66)
def test_negative_angle(self):
with pytest.raises(ValueError):