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DAMASK_EICMD
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adjustments to follow de-facto standard in other parts of the python 

library
This commit is contained in:
Martin Diehl 2022-02-06 17:11:18 +01:00
parent 72978df099
commit a6e83c70ec
2 changed files with 14 additions and 13 deletions
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5
python/damask/_crystal.py
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@ -2,6 +2,7 @@ from typing import Union, Dict, List, Tuple
import numpy as np
from ._typehints import FloatSequence
from . import util
from . import Rotation
@ -341,8 +342,8 @@ class Crystal():
def to_frame(self, *,
uvw: np.ndarray = None,
hkl: np.ndarray = None) -> np.ndarray:
uvw: FloatSequence = None,
hkl: FloatSequence = None) -> np.ndarray:
"""
Calculate crystal frame vector along lattice direction [uvw] or plane normal (hkl).

22
python/damask/_orientation.py
View File

@ -1,15 +1,15 @@
import inspect
import copy
from typing import Union, Callable, Dict, Any, Tuple
import numpy as np
from ._typehints import FloatSequence, IntSequence
from . import Rotation
from . import Crystal
from . import util
from . import tensor
from typing import Union, Callable, Dict, Any, Tuple, List
from ._typehints import FloatSequence, IntSequence
_parameter_doc = \
@ -165,7 +165,7 @@ class Orientation(Rotation,Crystal):
Orientation to check for equality.
"""
return np.logical_not(self==other) if isinstance(other, Orientation) else NotImplemented
return np.logical_not(self==other)
def isclose(self,
@ -206,7 +206,7 @@ class Orientation(Rotation,Crystal):
other: object,
rtol: float = 1e-5,
atol: float = 1e-8,
equal_nan: bool = True) -> Union[bool, np.bool_]:
equal_nan: bool = True) -> bool:
"""
Test whether all values are approximately equal to corresponding ones of other Orientation.
@ -227,9 +227,7 @@ class Orientation(Rotation,Crystal):
Whether all values are close between both orientations.
"""
if not isinstance(other, Orientation):
raise TypeError
return np.all(self.isclose(other,rtol,atol,equal_nan))
return bool(np.all(self.isclose(other,rtol,atol,equal_nan)))
def __mul__(self,
@ -411,6 +409,7 @@ class Orientation(Rotation,Crystal):
sort = 0 if len(loc) == 1 else np.lexsort(loc[:0:-1])
return eq[ok][sort].reshape(self.shape)
@property
def in_FZ(self) -> Union[np.bool_, np.ndarray]:
"""
@ -574,6 +573,7 @@ class Orientation(Rotation,Crystal):
loc = np.where(ok)
sort = 0 if len(loc) == 2 else np.lexsort(loc[:1:-1])
quat = r[ok][sort].reshape(blend+(4,))
return (
(self.copy(rotation=quat),
(np.vstack(loc[:2]).T)[sort].reshape(blend+(2,)))
@ -783,7 +783,7 @@ class Orientation(Rotation,Crystal):
@property
def symmetry_operations(self) -> Rotation:
"""Symmetry operations as Rotations."""
_symmetry_operations: Dict[str, List[List]] = {
_symmetry_operations = {
'cubic': [
[ 1.0, 0.0, 0.0, 0.0 ],
[ 0.0, 1.0, 0.0, 0.0 ],
@ -854,8 +854,8 @@ class Orientation(Rotation,Crystal):
# functions that require lattice, not just family
def to_pole(self, *,
uvw: np.ndarray = None,
hkl: np.ndarray = None,
uvw: FloatSequence = None,
hkl: FloatSequence = None,
with_symmetry: bool = False) -> np.ndarray:
"""
Calculate lab frame vector along lattice direction [uvw] or plane normal (hkl).
@ -926,7 +926,7 @@ class Orientation(Rotation,Crystal):
if active == '*': active = [len(a) for a in kinematics['direction']]
if not active:
raise RuntimeError
raise RuntimeError # ToDo
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),