cg_symbol, randomness=True, indices=range(cg.coordination_number), max_random_dist=0.05
)
lgf.perfect_geometry = AbstractGeometry.from_cg(cg=cg)
# Setting up the plane of separation
local_plane = None
found = False
for npoints in range(sepplanealgo.minimum_number_of_points, min(sepplanealgo.maximum_number_of_points, 4) + 1):
if found:
break
for ipoints in itertools.combinations(sepplanealgo.plane_points, npoints):
points_combination = [lgf.local_geometry.coords[ipoint] for ipoint in ipoints]
if npoints == 2:
if collinear(
points_combination[0], points_combination[1], lgf.local_geometry.central_site, tolerance=0.25
):
continue
local_plane = Plane.from_3points(
points_combination[0], points_combination[1], lgf.local_geometry.central_site
)
found = True
break
elif npoints == 3:
if collinear(points_combination[0], points_combination[1], points_combination[2], tolerance=0.25):
continue
local_plane = Plane.from_3points(
points_combination[0], points_combination[1], points_combination[2]
)
found = True
break
# (csms, perms, sep_perms) = lgf.coordination_geometry_symmetry_measures_separation_plane_newpmg(coordination_geometry=cg,
# separation_plane_algo=sepplanealgo,
# testing=True)
# Setting up the plane of separation
local_plane = None
found = False
for npoints in range(sepplanealgo.minimum_number_of_points,
min(sepplanealgo.maximum_number_of_points, 4)+1):
if found:
break
for ipoints in itertools.combinations(sepplanealgo.plane_points, npoints):
points_combination = [lgf.local_geometry.coords[ipoint] for ipoint in ipoints]
if npoints == 2:
if collinear(points_combination[0], points_combination[1],
lgf.local_geometry.central_site, tolerance=0.25):
continue
local_plane = Plane.from_3points(points_combination[0], points_combination[1],
lgf.local_geometry.central_site)
found = True
break
elif npoints == 3:
if collinear(points_combination[0], points_combination[1], points_combination[2], tolerance=0.25):
continue
local_plane = Plane.from_3points(points_combination[0], points_combination[1], points_combination[2])
found = True
break
elif npoints > 3:
local_plane = Plane.from_npoints(points_combination, best_fit='least_square_distance')
found = True
break