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"""Development script to get the multiplicity of the separation facets for some model coordination environments."""
from __future__ import annotations
from pymatgen.analysis.chemenv.coordination_environments.coordination_geometries import AllCoordinationGeometries
__author__ = "David Waroquiers"
__copyright__ = "Copyright 2012, The Materials Project"
__version__ = "2.0"
__maintainer__ = "David Waroquiers"
__email__ = "david.waroquiers@gmail.com"
__date__ = "Feb 20, 2016"
if __name__ == "__main__":
all_cg = AllCoordinationGeometries()
cg_symbol = "I:12"
all_plane_points = []
cg = all_cg[cg_symbol]
# I:12
if cg_symbol == "I:12":
opposite_points = {
0: 3,
1: 2,
2: 1,
3: 0,
4: 7,
5: 6,
6: 5,
7: 4,
8: 11,
9: 10,
10: 9,
11: 8,
}
edges = cg._edges
for edge in edges:
opposite_edge = [opposite_points[edge[0]], opposite_points[edge[1]]]
equiv_plane = list(edge)
equiv_plane += opposite_edge
equiv_plane.sort()
all_plane_points.append(tuple(equiv_plane))
all_plane_points = [tuple(equiv_plane) for equiv_plane in set(all_plane_points)]
print(f"All plane points ({len(all_plane_points)}) for {cg_symbol} : ")
print(all_plane_points)
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