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DAMASK_EICMD
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there is no "crystal lattice", what we define are the 14 Bravais 

lattices
This commit is contained in:
Martin Diehl 2023-08-16 22:01:20 +02:00
parent fc3c4c0be7
commit cc8790908c
3 changed files with 9 additions and 9 deletions
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12
python/damask/_crystal.py
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@ -2,11 +2,11 @@ from typing import Optional, Union, Dict, List, Tuple
import numpy as np import numpy as np
from ._typehints import FloatSequence, CrystalFamily, CrystalLattice, CrystalKinematics from ._typehints import FloatSequence, CrystalFamily, BravaisLattice, CrystalKinematics
from . import util from . import util
from . import Rotation from . import Rotation
lattice_symmetries: Dict[CrystalLattice, CrystalFamily] = { lattice_symmetries: Dict[BravaisLattice, CrystalFamily] = {
'aP': 'triclinic', 'aP': 'triclinic',
'mP': 'monoclinic', 'mP': 'monoclinic',
@ -27,7 +27,7 @@ lattice_symmetries: Dict[CrystalLattice, CrystalFamily] = {
'cF': 'cubic', 'cF': 'cubic',
} }
orientation_relationships: Dict[str, Dict[CrystalLattice,np.ndarray]] = { orientation_relationships: Dict[str, Dict[BravaisLattice,np.ndarray]] = {
'KS': { 'KS': {
'cF': np.array([ 'cF': np.array([
[[-1, 0, 1],[ 1, 1, 1]], [[-1, 0, 1],[ 1, 1, 1]],
@ -323,7 +323,7 @@ class Crystal():
def __init__(self, *, def __init__(self, *,
family: Optional[CrystalFamily] = None, family: Optional[CrystalFamily] = None,
lattice: Optional[CrystalLattice] = None, lattice: Optional[BravaisLattice] = None,
a: Optional[float] = None, b: Optional[float] = None, c: Optional[float] = None, a: Optional[float] = None, b: Optional[float] = None, c: Optional[float] = None,
alpha: Optional[float] = None, beta: Optional[float] = None, gamma: Optional[float] = None, alpha: Optional[float] = None, beta: Optional[float] = None, gamma: Optional[float] = None,
degrees: bool = False): degrees: bool = False):
@ -772,7 +772,7 @@ class Crystal():
Directions and planes of deformation mode families. Directions and planes of deformation mode families.
""" """
_kinematics: Dict[CrystalLattice, Dict[CrystalKinematics, List[np.ndarray]]] = { _kinematics: Dict[BravaisLattice, Dict[CrystalKinematics, List[np.ndarray]]] = {
'cF': { 'cF': {
'slip': [np.array([ 'slip': [np.array([
[+0,+1,-1, +1,+1,+1], [+0,+1,-1, +1,+1,+1],
@ -1015,7 +1015,7 @@ class Crystal():
def relation_operations(self, def relation_operations(self,
model: str) -> Tuple[CrystalLattice, Rotation]: model: str) -> Tuple[BravaisLattice, Rotation]:
""" """
Crystallographic orientation relationships for phase transformations. Crystallographic orientation relationships for phase transformations.

4
python/damask/_orientation.py
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@ -3,7 +3,7 @@ from typing import Optional, Union, TypeVar
import numpy as np import numpy as np
from ._typehints import FloatSequence, IntSequence, CrystalFamily, CrystalLattice from ._typehints import FloatSequence, IntSequence, CrystalFamily, BravaisLattice
from . import Rotation from . import Rotation
from . import Crystal from . import Crystal
from . import util from . import util
@ -73,7 +73,7 @@ class Orientation(Rotation,Crystal):
rotation: Union[FloatSequence, Rotation] = np.array([1.,0.,0.,0.]), rotation: Union[FloatSequence, Rotation] = np.array([1.,0.,0.,0.]),
*, *,
family: Optional[CrystalFamily] = None, family: Optional[CrystalFamily] = None,
lattice: Optional[CrystalLattice] = None, lattice: Optional[BravaisLattice] = None,
a: Optional[float] = None, b: Optional[float] = None, c: Optional[float] = None, a: Optional[float] = None, b: Optional[float] = None, c: Optional[float] = None,
alpha: Optional[float] = None, beta: Optional[float] = None, gamma: Optional[float] = None, alpha: Optional[float] = None, beta: Optional[float] = None, gamma: Optional[float] = None,
degrees: bool = False): degrees: bool = False):

2
python/damask/_typehints.py
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@ -11,7 +11,7 @@ IntSequence = Union[np.ndarray,Sequence[int]]
StrSequence = Union[np.ndarray,Sequence[str]] StrSequence = Union[np.ndarray,Sequence[str]]
FileHandle = Union[TextIO, str, Path] FileHandle = Union[TextIO, str, Path]
CrystalFamily = Union[None,Literal['triclinic', 'monoclinic', 'orthorhombic', 'tetragonal', 'hexagonal', 'cubic']] 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']] BravaisLattice = Union[None,Literal['aP', 'mP', 'mS', 'oP', 'oS', 'oI', 'oF', 'tP', 'tI', 'hP', 'cP', 'cI', 'cF']]
CrystalKinematics = Literal['slip', 'twin'] CrystalKinematics = Literal['slip', 'twin']
NumpyRngSeed = Union[int, IntSequence, np.random.SeedSequence, np.random.Generator] NumpyRngSeed = Union[int, IntSequence, np.random.SeedSequence, np.random.Generator]
# BitGenerator does not exists in older numpy versions # BitGenerator does not exists in older numpy versions