add_pole now has option "with_symmetry"

This commit is contained in:
Philip Eisenlohr 2021-08-16 13:26:15 -04:00 committed by Martin Diehl
parent 728e50f79e
commit 5dbb60d338
2 changed files with 11 additions and 6 deletions

View File

@ -987,20 +987,22 @@ class Result:
@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
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 {
'data': pole,
'label': 'p^[{} {} {}]'.format(*uvw) if uvw else 'p^({} {} {})'.format(*hkl),
'meta' : {
'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'
}
}
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).
@ -1011,9 +1013,11 @@ class Result:
Defaults to 'O'.
uvw|hkl : numpy.ndarray of shape (...,3)
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

View File

@ -225,7 +225,8 @@ class TestResult:
in_file = default.place('S')
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):
default.add_pole(**options)
rot = default.place('O')