@@ -650,7 +650,7 @@ def get_lattice(
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# Missing Key search for cell setting
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for lattice_label in ["_symmetry_cell_setting" , "_space_group_crystal_system" ]:
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if data .data .get (lattice_label ):
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- lattice_type = data .data .get (lattice_label , "" ).lower ()
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+ lattice_type = data .data .get (lattice_label ).lower ()
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try :
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required_args = getfullargspec (getattr (Lattice , lattice_type )).args
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@@ -737,7 +737,8 @@ def get_symops(self, data: CifBlock) -> list[SymmOp]:
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sg = data .data .get (symmetry_label )
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msg_template = "No _symmetry_equiv_pos_as_xyz type key found. Spacegroup from {} used."
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- if sg := sub_space_group (sg ):
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+ if sg :
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+ sg = sub_space_group (sg )
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try :
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if spg := space_groups .get (sg ):
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sym_ops = list (SpaceGroup (spg ).symmetry_ops )
@@ -752,9 +753,9 @@ def get_symops(self, data: CifBlock) -> list[SymmOp]:
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cod_data = loadfn (
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os .path .join (os .path .dirname (os .path .dirname (__file__ )), "symmetry" , "symm_ops.json" )
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)
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- for data in cod_data :
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- if sg == re .sub (r"\s+" , "" , data ["hermann_mauguin" ]):
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- xyz = data ["symops" ]
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+ for _data in cod_data :
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+ if sg == re .sub (r"\s+" , "" , _data ["hermann_mauguin" ]):
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+ xyz = _data ["symops" ]
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sym_ops = [SymmOp .from_xyz_str (s ) for s in xyz ]
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msg = msg_template .format (symmetry_label )
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warnings .warn (msg )
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