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normalize to_pole output by default

This commit is contained in:
Philip Eisenlohr 2022-05-11 08:55:55 -04:00
parent 302f020f63
commit b080e414ae
2 changed files with 11 additions and 4 deletions
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11
python/damask/_orientation.py
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@ -786,7 +786,8 @@ class Orientation(Rotation,Crystal):
def to_pole(self, *, def to_pole(self, *,
uvw: FloatSequence = None, uvw: FloatSequence = None,
hkl: FloatSequence = None, hkl: FloatSequence = None,
with_symmetry: bool = False) -> np.ndarray: with_symmetry: bool = False,
normalize: bool = True) -> np.ndarray:
""" """
Calculate lab frame vector along lattice direction [uvw] or plane normal (hkl). Calculate lab frame vector along lattice direction [uvw] or plane normal (hkl).
@ -795,9 +796,13 @@ class Orientation(Rotation,Crystal):
uvw|hkl : numpy.ndarray, shape (...,3) uvw|hkl : numpy.ndarray, shape (...,3)
Miller indices of crystallographic direction or plane normal. Miller indices of crystallographic direction or plane normal.
Shape of vector blends with shape of own rotation array. Shape of vector blends with shape of own rotation array.
For example, a rotation array, shape (3,2) and a vector array of shape (2,4) result in (3,2,4) outputs. For example, a rotation array of shape (3,2) and a vector array of shape (2,4) result in (3,2,4) outputs.
with_symmetry : bool, optional with_symmetry : bool, optional
Calculate all N symmetrically equivalent vectors. Calculate all N symmetrically equivalent vectors.
Defaults to False.
normalize : bool, optional
Normalize output vector.
Defaults to True.
Returns Returns
------- -------
@ -807,6 +812,8 @@ class Orientation(Rotation,Crystal):
""" """
v = self.to_frame(uvw=uvw,hkl=hkl) v = self.to_frame(uvw=uvw,hkl=hkl)
blend = util.shapeblender(self.shape,v.shape[:-1]) blend = util.shapeblender(self.shape,v.shape[:-1])
if normalize:
v /= np.linalg.norm(v,axis=-1,keepdims=len(v.shape)>1)
if with_symmetry: if with_symmetry:
sym_ops = self.symmetry_operations sym_ops = self.symmetry_operations
shape = v.shape[:-1]+sym_ops.shape shape = v.shape[:-1]+sym_ops.shape

4
python/tests/test_Orientation.py
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@ -173,8 +173,8 @@ class TestOrientation:
o = Orientation.from_directions(uvw=a,hkl=c,**kwargs) o = Orientation.from_directions(uvw=a,hkl=c,**kwargs)
x = o.to_pole(uvw=a) x = o.to_pole(uvw=a)
z = o.to_pole(hkl=c) z = o.to_pole(hkl=c)
assert np.isclose(np.dot(x/np.linalg.norm(x),np.array([1,0,0])),1) \ assert np.isclose(np.dot(x,np.array([1,0,0])),1) \
and np.isclose(np.dot(z/np.linalg.norm(z),np.array([0,0,1])),1) and np.isclose(np.dot(z,np.array([0,0,1])),1)
@pytest.mark.parametrize('function',[Orientation.from_random, @pytest.mark.parametrize('function',[Orientation.from_random,
Orientation.from_quaternion, Orientation.from_quaternion,