223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

polishing 

classes should return 'MyType' for inheritance without hassle
This commit is contained in:
Martin Diehl 2022-02-13 01:24:02 +01:00
parent bdc951c39b
commit 2907facfd3
4 changed files with 47 additions and 52 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
python/damask/_crystal.py
View File

@ -31,7 +31,7 @@ lattice_symmetries: Dict[CrystalLattice, CrystalFamily] = {
class Crystal():
"""Crystal lattice."""
def __init__(self,*,
def __init__(self, *,
family: CrystalFamily = None,
lattice: CrystalLattice = None,
a: float = None, b: float = None, c: float = None,

39
python/damask/_orientation.py
View File

@ -1,6 +1,6 @@
import inspect
import copy
from typing import Union, Callable, List, Dict, Any, Tuple
from typing import Union, Callable, List, Dict, Any, Tuple, TypeVar
import numpy as np
@ -11,7 +11,6 @@ from . import util
from . import tensor
_parameter_doc = \
"""
family : {'triclinic', 'monoclinic', 'orthorhombic', 'tetragonal', 'hexagonal', 'cubic'}, optional.
@ -36,6 +35,7 @@ _parameter_doc = \
"""
MyType = TypeVar('MyType', bound='Orientation')
class Orientation(Rotation,Crystal):
"""
@ -124,8 +124,8 @@ class Orientation(Rotation,Crystal):
return '\n'.join([Crystal.__repr__(self),
Rotation.__repr__(self)])
def __copy__(self,
rotation: Union[FloatSequence, Rotation] = None) -> 'Orientation':
def __copy__(self: MyType,
rotation: Union[FloatSequence, Rotation] = None) -> MyType:
"""Create deep copy."""
dup = copy.deepcopy(self)
if rotation is not None:
@ -189,7 +189,7 @@ class Orientation(Rotation,Crystal):
Returns
-------
mask : numpy.ndarray of bool
mask : numpy.ndarray of bool, shape (self.shape)
Mask indicating where corresponding orientations are close.
"""
@ -230,8 +230,8 @@ class Orientation(Rotation,Crystal):
return bool(np.all(self.isclose(other,rtol,atol,equal_nan)))
def __mul__(self,
other: Union[Rotation, 'Orientation']) -> 'Orientation':
def __mul__(self: MyType,
other: Union[Rotation, 'Orientation']) -> MyType:
"""
Compose this orientation with other.
@ -246,8 +246,8 @@ class Orientation(Rotation,Crystal):
Compound rotation self*other, i.e. first other then self rotation.
"""
if isinstance(other,Orientation) or isinstance(other,Rotation):
return self.copy(rotation=Rotation.__mul__(self,Rotation(other.quaternion)))
if isinstance(other, (Orientation,Rotation)):
return self.copy(Rotation(self.quaternion)*Rotation(other.quaternion))
else:
raise TypeError('use "O@b", i.e. matmul, to apply Orientation "O" to object "b"')
@ -382,11 +382,11 @@ class Orientation(Rotation,Crystal):
x = o.to_frame(uvw=uvw)
z = o.to_frame(hkl=hkl)
om = np.stack([x,np.cross(z,x),z],axis=-2)
return o.copy(rotation=Rotation.from_matrix(tensor.transpose(om/np.linalg.norm(om,axis=-1,keepdims=True))))
return o.copy(Rotation.from_matrix(tensor.transpose(om/np.linalg.norm(om,axis=-1,keepdims=True))))
@property
def equivalent(self) -> 'Orientation':
def equivalent(self: MyType) -> MyType:
"""
Orientations that are symmetrically equivalent.
@ -396,11 +396,11 @@ class Orientation(Rotation,Crystal):
"""
sym_ops = self.symmetry_operations
o = sym_ops.broadcast_to(sym_ops.shape+self.shape,mode='right')
return self.copy(rotation=o*Rotation(self.quaternion).broadcast_to(o.shape,mode='left'))
return self.copy(o*Rotation(self.quaternion).broadcast_to(o.shape,mode='left'))
@property
def reduced(self) -> 'Orientation':
def reduced(self: MyType) -> MyType:
"""Select symmetrically equivalent orientation that falls into fundamental zone according to symmetry."""
eq = self.equivalent
ok = eq.in_FZ
@ -616,11 +616,8 @@ class Orientation(Rotation,Crystal):
np.argmin(m,axis=0)[np.newaxis,...,np.newaxis],
axis=0),
axis=0))
return (
(self.copy(rotation=Rotation(r).average(weights)),
self.copy(rotation=Rotation(r)))
if return_cloud else
self.copy(rotation=Rotation(r).average(weights))
return ((self.copy(Rotation(r).average(weights)),self.copy(Rotation(r))) if return_cloud else
self.copy(Rotation(r).average(weights))
)
@ -930,7 +927,7 @@ class Orientation(Rotation,Crystal):
if active == '*': active = [len(a) for a in kinematics['direction']]
if not active:
raise RuntimeError # ToDo
raise ValueError('Schmid matrix not defined')
d = self.to_frame(uvw=np.vstack([kinematics['direction'][i][:n] for i,n in enumerate(active)]))
p = self.to_frame(hkl=np.vstack([kinematics['plane'][i][:n] for i,n in enumerate(active)]))
P = np.einsum('...i,...j',d/np.linalg.norm(d,axis=1,keepdims=True),
@ -941,8 +938,8 @@ class Orientation(Rotation,Crystal):
@ np.broadcast_to(P.reshape(util.shapeshifter(P.shape,shape)),shape)
def related(self,
model: str) -> 'Orientation':
def related(self: MyType,
model: str) -> MyType:
"""
Orientations derived from the given relationship.

43
python/damask/_rotation.py
View File

@ -1,14 +1,13 @@
import copy
from typing import Union, Sequence, Tuple, Literal, List, TypeVar
import numpy as np
from ._typehints import FloatSequence, IntSequence, NumpyRngSeed
from . import tensor
from . import util
from . import grid_filters
from typing import Union, Sequence, Tuple, Literal, List, TypeVar
from ._typehints import FloatSequence, IntSequence, NumpyRngSeed
_P = -1
# parameters for conversion from/to cubochoric
@ -109,7 +108,7 @@ class Rotation:
item: Union[Tuple[int], int, bool, np.bool_, np.ndarray]):
"""Return slice according to item."""
return self.copy() if self.shape == () else \
self.copy(rotation=self.quaternion[item+(slice(None),)] if isinstance(item,tuple) else self.quaternion[item])
self.copy(self.quaternion[item+(slice(None),)] if isinstance(item,tuple) else self.quaternion[item])
def __eq__(self,
@ -162,7 +161,7 @@ class Rotation:
Returns
-------
mask : numpy.ndarray of bool
mask : numpy.ndarray of bool, shape (self.shape)
Mask indicating where corresponding rotations are close.
"""
@ -233,13 +232,13 @@ class Rotation:
Parameters
----------
exp : scalar
exp : float
Exponent.
"""
phi = np.arccos(self.quaternion[...,0:1])
p = self.quaternion[...,1:]/np.linalg.norm(self.quaternion[...,1:],axis=-1,keepdims=True)
return self.copy(rotation=Rotation(np.block([np.cos(exp*phi),np.sin(exp*phi)*p]))._standardize())
return self.copy(Rotation(np.block([np.cos(exp*phi),np.sin(exp*phi)*p]))._standardize())
def __ipow__(self: MyType,
exp: Union[float, int]) -> MyType:
@ -248,7 +247,7 @@ class Rotation:
Parameters
----------
exp : scalar
exp : float
Exponent.
"""
@ -278,7 +277,7 @@ class Rotation:
p_o = other.quaternion[...,1:]
q = (q_m*q_o - np.einsum('...i,...i',p_m,p_o).reshape(self.shape+(1,)))
p = q_m*p_o + q_o*p_m + _P * np.cross(p_m,p_o)
return Rotation(np.block([q,p]))._standardize() #type: ignore
return self.copy(Rotation(np.block([q,p]))._standardize())
else:
raise TypeError('Use "R@b", i.e. matmul, to apply rotation "R" to object "b"')
@ -391,7 +390,7 @@ class Rotation:
other : (list of) damask.Rotation
"""
return self.copy(rotation=np.vstack(tuple(map(lambda x:x.quaternion,
return self.copy(np.vstack(tuple(map(lambda x:x.quaternion,
[self]+other if isinstance(other,list) else [self,other]))))
@ -415,7 +414,7 @@ class Rotation:
Rotation flattened to single dimension.
"""
return self.copy(rotation=self.quaternion.reshape((-1,4),order=order))
return self.copy(self.quaternion.reshape((-1,4),order=order))
def reshape(self: MyType,
@ -443,7 +442,7 @@ class Rotation:
"""
if isinstance(shape,(int,np.integer)): shape = (shape,)
return self.copy(rotation=self.quaternion.reshape(tuple(shape)+(4,),order=order))
return self.copy(self.quaternion.reshape(tuple(shape)+(4,),order=order))
def broadcast_to(self: MyType,
@ -467,18 +466,18 @@ class Rotation:
"""
if isinstance(shape,(int,np.integer)): shape = (shape,)
return self.copy(rotation=np.broadcast_to(self.quaternion.reshape(util.shapeshifter(self.shape,shape,mode)+(4,)),
return self.copy(np.broadcast_to(self.quaternion.reshape(util.shapeshifter(self.shape,shape,mode)+(4,)),
shape+(4,)))
def average(self,
weights: FloatSequence = None) -> 'Rotation':
def average(self: MyType,
weights: FloatSequence = None) -> MyType:
"""
Average along last array dimension.
Parameters
----------
weights : numpy.ndarray, optional
weights : numpy.ndarray, shape (self.shape), optional
Relative weight of each rotation.
Returns
@ -501,13 +500,13 @@ class Rotation:
eig, vec = np.linalg.eig(np.sum(_M(self.quaternion) * weights_[...,np.newaxis,np.newaxis],axis=-3) \
/np.sum( weights_[...,np.newaxis,np.newaxis],axis=-3))
return Rotation.from_quaternion(np.real(
return self.copy(Rotation.from_quaternion(np.real(
np.squeeze(
np.take_along_axis(vec,
eig.argmax(axis=-1)[...,np.newaxis,np.newaxis],
axis=-1),
axis=-1)),
accept_homomorph = True)
accept_homomorph = True))
def misorientation(self: MyType,
@ -730,7 +729,7 @@ class Rotation:
Sign convention. Defaults to -1.
"""
qu: np.ndarray = np.array(q,dtype=float)
qu = np.array(q,dtype=float)
if qu.shape[:-2:-1] != (4,):
raise ValueError('Invalid shape.')
if abs(P) != 1:
@ -996,7 +995,7 @@ class Rotation:
Defaults to None, i.e. unpredictable entropy will be pulled from the OS.
"""
rng: np.random.Generator = np.random.default_rng(rng_seed)
rng = np.random.default_rng(rng_seed)
r = rng.random(3 if shape is None else tuple(shape)+(3,) if hasattr(shape, '__iter__') else (shape,3)) #type: ignore
A = np.sqrt(r[...,2])
@ -1131,8 +1130,8 @@ class Rotation:
"""
rng = np.random.default_rng(rng_seed)
sigma_: np.ndarray; alpha_: np.ndarray; beta_: np.ndarray
sigma_,alpha_,beta_ = (np.radians(coordinate) for coordinate in (sigma,alpha,beta)) if degrees else (sigma,alpha,beta) #type: ignore
sigma_,alpha_,beta_ = (np.radians(coordinate) for coordinate in (sigma,alpha,beta)) if degrees else \
map(np.array, (sigma,alpha,beta))
d_cr = np.array([np.sin(alpha_[0])*np.cos(alpha_[1]), np.sin(alpha_[0])*np.sin(alpha_[1]), np.cos(alpha_[0])])
d_lab = np.array([np.sin( beta_[0])*np.cos( beta_[1]), np.sin( beta_[0])*np.sin( beta_[1]), np.cos( beta_[0])])

3
python/damask/_typehints.py
View File

@ -9,10 +9,9 @@ import numpy as np
FloatSequence = Union[np.ndarray,Sequence[float]]
IntSequence = Union[np.ndarray,Sequence[int]]
FileHandle = Union[TextIO, str, Path]
NumpyRngSeed = Union[int, IntSequence, np.random.SeedSequence, np.random.Generator]
CrystalFamily = Union[None,Literal['triclinic', 'monoclinic', 'orthorhombic', 'tetragonal', 'hexagonal', 'cubic']]
CrystalLattice = Union[None,Literal['aP', 'mP', 'mS', 'oP', 'oS', 'oI', 'oF', 'tP', 'tI', 'hP', 'cP', 'cI', 'cF']]
CrystalKinematics = Literal['slip', 'twin']
NumpyRngSeed = Union[int, IntSequence, np.random.SeedSequence, np.random.Generator]
# BitGenerator does not exists in older numpy versions
#NumpyRngSeed = Union[int, IntSequence, np.random.SeedSequence, np.random.BitGenerator, np.random.Generator]