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DAMASK_EICMD
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add_pole now has option "with_symmetry"

This commit is contained in:
Philip Eisenlohr 2021-08-16 13:26:15 -04:00
parent d2bd6e16ca
commit 9b695fd3fe
2 changed files with 11 additions and 6 deletions
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14
python/damask/_result.py
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@ -983,20 +983,22 @@ class Result:
@staticmethod @staticmethod
def _add_pole(q,uvw,hkl): def _add_pole(q,uvw,hkl,with_symmetry):
c = q['meta']['c/a'] if 'c/a' in q['meta'] else 1 c = q['meta']['c/a'] if 'c/a' in q['meta'] else 1
pole = Orientation(q['data'], lattice=q['meta']['lattice'], a=1, c=c).to_pole(uvw=uvw,hkl=hkl) pole = Orientation(q['data'],lattice=q['meta']['lattice'],a=1,c=c).to_pole(uvw=uvw,hkl=hkl,with_symmetry=with_symmetry)
return { return {
'data': pole, 'data': pole,
'label': 'p^[{} {} {}]'.format(*uvw) if uvw else 'p^({} {} {})'.format(*hkl), 'label': 'p^[{} {} {}]'.format(*uvw) if uvw else 'p^({} {} {})'.format(*hkl),
'meta' : { 'meta' : {
'unit': '1', 'unit': '1',
'description': f"lab frame vector along lattice {'direction' if uvw else 'plane'}", 'description': 'lab frame vector along lattice ' \
+ ('direction' if uvw else 'plane') \
+ ('s' if with_symmetry else ''),
'creator': 'add_pole' 'creator': 'add_pole'
} }
} }
def add_pole(self,q='O',*,uvw=None,hkl=None): def add_pole(self,q='O',*,uvw=None,hkl=None,with_symmetry=False):
""" """
Add lab frame vector along lattice direction [uvw] or plane normal (hkl). Add lab frame vector along lattice direction [uvw] or plane normal (hkl).
@ -1007,9 +1009,11 @@ class Result:
Defaults to 'O'. Defaults to 'O'.
uvw|hkl : numpy.ndarray of shape (...,3) uvw|hkl : numpy.ndarray of shape (...,3)
Miller indices of crystallographic direction or plane normal. Miller indices of crystallographic direction or plane normal.
with_symmetry : bool, optional
Calculate all N symmetrically equivalent vectors.
""" """
self._add_generic_pointwise(self._add_pole,{'q':q},{'uvw':uvw,'hkl':hkl}) self._add_generic_pointwise(self._add_pole,{'q':q},{'uvw':uvw,'hkl':hkl,'with_symmetry':with_symmetry})
@staticmethod @staticmethod

3
python/tests/test_Result.py
View File

@ -219,7 +219,8 @@ class TestResult:
in_file = default.place('S') in_file = default.place('S')
assert np.allclose(in_memory,in_file) assert np.allclose(in_memory,in_file)
@pytest.mark.parametrize('options',[{'uvw':[1,0,0]},{'hkl':[0,1,1]}]) @pytest.mark.parametrize('options',[{'uvw':[1,0,0],'with_symmetry':False},
{'hkl':[0,1,1],'with_symmetry':True}])
def test_add_pole(self,default,options): def test_add_pole(self,default,options):
default.add_pole(**options) default.add_pole(**options)
rot = default.place('O') rot = default.place('O')