223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

helpful error message

This commit is contained in:
Martin Diehl 2023-11-06 23:42:11 +01:00
parent 50d47908fb
commit f687e0a433
2 changed files with 14 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

9
python/damask/_crystal.py
View File

@ -1200,10 +1200,13 @@ class Crystal():
raise KeyError(f'unknown orientation relationship "{model}"') raise KeyError(f'unknown orientation relationship "{model}"')
sep = '-->' sep = '-->'
search = self.lattice+sep+('' if target is None else target.lattice) # type: ignore search = self.lattice+sep+('' if target is None else target.lattice) # type: ignore
m_l,o_l = [transform.split(sep) for transform in orientation_relationships[model].keys() # type: ignore transform = [t for t in orientation_relationships[model].keys() if t.startswith(search)] # type: ignore
if transform.startswith(search)][0]
if len(transform) != 1:
raise ValueError(f'invalid target lattice "{search.split(sep)[1]}"')
m_l,o_l = transform[0].split(sep) # type: ignore
m_p,o_p = orientation_relationships[model][m_l+sep+o_l] m_p,o_p = orientation_relationships[model][m_l+sep+o_l]
other = Crystal(lattice=o_l) if target is None else target other = Crystal(lattice=o_l) if target is None else target
m_p = np.stack((self.to_frame(uvw=m_p[:,0] if len(m_p[0,0])==3 else util.Bravais_to_Miller(uvtw=m_p[:,0])), m_p = np.stack((self.to_frame(uvw=m_p[:,0] if len(m_p[0,0])==3 else util.Bravais_to_Miller(uvtw=m_p[:,0])),

8
python/tests/test_Crystal.py
View File

@ -110,3 +110,11 @@ class TestCrystal:
for r in crystal.orientation_relationships: for r in crystal.orientation_relationships:
crystal.relation_operations(r) crystal.relation_operations(r)
@pytest.mark.parametrize('crystal', [Crystal(lattice='cF'),
Crystal(lattice='cI'),
Crystal(lattice='hP')])
def test_related_invalid_target(self,crystal):
relationship = np.random.choice(crystal.orientation_relationships)
with pytest.raises(ValueError):
crystal.relation_operations(relationship,crystal)