Skip to content

Commit

Permalink
roll back changes to default space group setting, and modify tests to…
Browse files Browse the repository at this point in the history
… only assume setting 1
  • Loading branch information
saransh13 committed Aug 20, 2024
1 parent 79c8983 commit 3601b9f
Show file tree
Hide file tree
Showing 2 changed files with 5 additions and 7 deletions.
9 changes: 3 additions & 6 deletions hexrd/material/material.py
Original file line number Diff line number Diff line change
Expand Up @@ -81,13 +81,10 @@ def _key(x):


def get_default_sgsetting(sgnum):
setting = 0
if sgnum in two_origin_choice:
# only set cubic materials
# in the second setting by default
if sgnum > 194:
setting = 1
return setting
return 1
else:
return 0

#
# ---------------------------------------------------CLASS: Material
Expand Down
3 changes: 2 additions & 1 deletion tests/planedata/test_with_data.py
Original file line number Diff line number Diff line change
Expand Up @@ -24,7 +24,8 @@ def materials(test_data_dir):
for mat_name in material_names:
# Load {test_data_dir}/materials/{mat_name}.cif
mat = Material(
mat_name, str(test_data_dir) + "/materials/" + mat_name + ".cif"
mat_name, str(test_data_dir) + "/materials/" + mat_name + ".cif",
sgsetting=0
)
mats[mat_name] = mat.planeData
return mats
Expand Down

0 comments on commit 3601b9f

Please sign in to comment.