def check_and_set_crystal_symmetry(models=[], map_inps=[], miller_arrays=[]):
# XXX This should go into a central place
# XXX Check map gridding here!
for it in [models, map_inps, miller_arrays]:
assert isinstance(it, (list, tuple))
crystal_symmetry = None
css = []
all_inputs = models + map_inps + miller_arrays
for it in all_inputs:
if (it is not None):
it = it.crystal_symmetry()
if (it is None): continue
if (not [it.unit_cell(), it.space_group()].count(None) in [0, 2]):
raise Sorry("Inconsistent box (aka crystal symmetry) info.")
if ([it.unit_cell(), it.space_group()].count(None) == 0):
css.append(it)
if (len(css) > 1):
cs0 = css[0]
for cs in css[1:]:
if (not cs0.is_similar_symmetry(cs)):
raise Sorry(
"Box info (aka crystal symmetry) mismatch across inputs.")
if (len(css) == 0):
raise Sorry("No box info (aka crystal symmetry) available.")
crystal_symmetry = css[0]
for model in models:
if (model is None): continue
cs = model.crystal_symmetry()
if (cs is None or [cs.unit_cell(), cs.space_group()].count(None) == 2):
model.set_crystal_symmetry_if_undefined(crystal_symmetry)
if (len(map_inps) > 1):
m0 = map_inps[0].map_data()
for m in map_inps[1:]:
if (m is None): continue
maptbx.assert_same_gridding(map_1=m0, map_2=m.map_data())
def assert_same_gridding(map_1, map_2): # XXX remove it! maptbx.assert_same_gridding(map_1, map_2)