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fix: change cif parser attribute name to construct Structure object
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src/diffpy/structure/parsers/p_cif.py

Lines changed: 14 additions & 14 deletions
Original file line numberDiff line numberDiff line change
@@ -104,23 +104,23 @@ class P_cif(StructureParser):
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"_tr_atom_site_cartn_x",
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"_tr_atom_site_cartn_y",
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"_tr_atom_site_cartn_z",
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"_tr_atom_site_U_iso_or_equiv",
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"_tr_atom_site_B_iso_or_equiv",
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"_tr_atom_site_u_iso_or_equiv",
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"_tr_atom_site_b_iso_or_equiv",
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"_tr_atom_site_adp_type",
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"_tr_atom_site_thermal_displace_type",
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"_tr_atom_site_occupancy",
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"_tr_atom_site_aniso_U_11",
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"_tr_atom_site_aniso_U_22",
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"_tr_atom_site_aniso_U_33",
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"_tr_atom_site_aniso_U_12",
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"_tr_atom_site_aniso_U_13",
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"_tr_atom_site_aniso_U_23",
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"_tr_atom_site_aniso_B_11",
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"_tr_atom_site_aniso_B_22",
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"_tr_atom_site_aniso_B_33",
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"_tr_atom_site_aniso_B_12",
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"_tr_atom_site_aniso_B_13",
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"_tr_atom_site_aniso_B_23",
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"_tr_atom_site_aniso_u_11",
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"_tr_atom_site_aniso_u_22",
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"_tr_atom_site_aniso_u_33",
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"_tr_atom_site_aniso_u_12",
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"_tr_atom_site_aniso_u_13",
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"_tr_atom_site_aniso_u_23",
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"_tr_atom_site_aniso_b_11",
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"_tr_atom_site_aniso_b_22",
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"_tr_atom_site_aniso_b_33",
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"_tr_atom_site_aniso_b_12",
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"_tr_atom_site_aniso_b_13",
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"_tr_atom_site_aniso_b_23",
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)
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)
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# make _atom_setters case insensitive

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