|
21 | 21 |
|
22 | 22 | from diffpy.structure.atom import Atom |
23 | 23 | from diffpy.structure.lattice import Lattice |
24 | | -from diffpy.structure.utils import _linkAtomAttribute, atomBareSymbol, isiterable |
| 24 | +from diffpy.structure.utils import _link_atom_attribute, atomBareSymbol, isiterable |
25 | 25 | from diffpy.utils._deprecator import build_deprecation_message, deprecated |
26 | 26 |
|
27 | 27 | # ---------------------------------------------------------------------------- |
@@ -812,149 +812,149 @@ def _get_composition(self): |
812 | 812 |
|
813 | 813 | # linked atom attributes |
814 | 814 |
|
815 | | - element = _linkAtomAttribute( |
| 815 | + element = _link_atom_attribute( |
816 | 816 | "element", |
817 | 817 | """Character array of `Atom` types. Assignment updates |
818 | 818 | the element attribute of the respective `Atoms`. |
819 | 819 | Set the maximum length of the element string to 5 characters.""", |
820 | 820 | toarray=lambda items: numpy.char.array(items, itemsize=5), |
821 | 821 | ) |
822 | 822 |
|
823 | | - xyz = _linkAtomAttribute( |
| 823 | + xyz = _link_atom_attribute( |
824 | 824 | "xyz", |
825 | 825 | """Array of fractional coordinates of all `Atoms`. |
826 | 826 | Assignment updates `xyz` attribute of all `Atoms`.""", |
827 | 827 | ) |
828 | 828 |
|
829 | | - x = _linkAtomAttribute( |
| 829 | + x = _link_atom_attribute( |
830 | 830 | "x", |
831 | 831 | """Array of all fractional coordinates `x`. |
832 | 832 | Assignment updates `xyz` attribute of all `Atoms`.""", |
833 | 833 | ) |
834 | 834 |
|
835 | | - y = _linkAtomAttribute( |
| 835 | + y = _link_atom_attribute( |
836 | 836 | "y", |
837 | 837 | """Array of all fractional coordinates `y`. |
838 | 838 | Assignment updates `xyz` attribute of all `Atoms`.""", |
839 | 839 | ) |
840 | 840 |
|
841 | | - z = _linkAtomAttribute( |
| 841 | + z = _link_atom_attribute( |
842 | 842 | "z", |
843 | 843 | """Array of all fractional coordinates `z`. |
844 | 844 | Assignment updates `xyz` attribute of all `Atoms`.""", |
845 | 845 | ) |
846 | 846 |
|
847 | | - label = _linkAtomAttribute( |
| 847 | + label = _link_atom_attribute( |
848 | 848 | "label", |
849 | 849 | """Character array of `Atom` names. Assignment updates |
850 | 850 | the label attribute of all `Atoms`. |
851 | 851 | Set the maximum length of the label string to 5 characters.""", |
852 | 852 | toarray=lambda items: numpy.char.array(items, itemsize=5), |
853 | 853 | ) |
854 | 854 |
|
855 | | - occupancy = _linkAtomAttribute( |
| 855 | + occupancy = _link_atom_attribute( |
856 | 856 | "occupancy", |
857 | 857 | """Array of `Atom` occupancies. Assignment updates the |
858 | 858 | occupancy attribute of all `Atoms`.""", |
859 | 859 | ) |
860 | 860 |
|
861 | | - xyz_cartn = _linkAtomAttribute( |
| 861 | + xyz_cartn = _link_atom_attribute( |
862 | 862 | "xyz_cartn", |
863 | 863 | """Array of absolute Cartesian coordinates of all `Atoms`. |
864 | 864 | Assignment updates the `xyz` attribute of all `Atoms`.""", |
865 | 865 | ) |
866 | 866 |
|
867 | | - anisotropy = _linkAtomAttribute( |
| 867 | + anisotropy = _link_atom_attribute( |
868 | 868 | "anisotropy", |
869 | 869 | """Boolean array for anisotropic thermal displacement flags. |
870 | 870 | Assignment updates the anisotropy attribute of all `Atoms`.""", |
871 | 871 | ) |
872 | 872 |
|
873 | | - U = _linkAtomAttribute( |
| 873 | + U = _link_atom_attribute( |
874 | 874 | "U", |
875 | 875 | """Array of anisotropic thermal displacement tensors. |
876 | 876 | Assignment updates the U and anisotropy attributes of all `Atoms`.""", |
877 | 877 | ) |
878 | 878 |
|
879 | | - Uisoequiv = _linkAtomAttribute( |
| 879 | + Uisoequiv = _link_atom_attribute( |
880 | 880 | "Uisoequiv", |
881 | 881 | """Array of isotropic thermal displacement or equivalent values. |
882 | 882 | Assignment updates the U attribute of all `Atoms`.""", |
883 | 883 | ) |
884 | 884 |
|
885 | | - U11 = _linkAtomAttribute( |
| 885 | + U11 = _link_atom_attribute( |
886 | 886 | "U11", |
887 | 887 | """Array of `U11` elements of the anisotropic displacement tensors. |
888 | 888 | Assignment updates the U and anisotropy attributes of all `Atoms`.""", |
889 | 889 | ) |
890 | 890 |
|
891 | | - U22 = _linkAtomAttribute( |
| 891 | + U22 = _link_atom_attribute( |
892 | 892 | "U22", |
893 | 893 | """Array of `U22` elements of the anisotropic displacement tensors. |
894 | 894 | Assignment updates the U and anisotropy attributes of all `Atoms`.""", |
895 | 895 | ) |
896 | 896 |
|
897 | | - U33 = _linkAtomAttribute( |
| 897 | + U33 = _link_atom_attribute( |
898 | 898 | "U33", |
899 | 899 | """Array of `U33` elements of the anisotropic displacement tensors. |
900 | 900 | Assignment updates the U and anisotropy attributes of all `Atoms`.""", |
901 | 901 | ) |
902 | 902 |
|
903 | | - U12 = _linkAtomAttribute( |
| 903 | + U12 = _link_atom_attribute( |
904 | 904 | "U12", |
905 | 905 | """Array of `U12` elements of the anisotropic displacement tensors. |
906 | 906 | Assignment updates the U and anisotropy attributes of all `Atoms`.""", |
907 | 907 | ) |
908 | 908 |
|
909 | | - U13 = _linkAtomAttribute( |
| 909 | + U13 = _link_atom_attribute( |
910 | 910 | "U13", |
911 | 911 | """Array of `U13` elements of the anisotropic displacement tensors. |
912 | 912 | Assignment updates the U and anisotropy attributes of all `Atoms`.""", |
913 | 913 | ) |
914 | 914 |
|
915 | | - U23 = _linkAtomAttribute( |
| 915 | + U23 = _link_atom_attribute( |
916 | 916 | "U23", |
917 | 917 | """Array of `U23` elements of the anisotropic displacement tensors. |
918 | 918 | Assignment updates the U and anisotropy attributes of all `Atoms`.""", |
919 | 919 | ) |
920 | 920 |
|
921 | | - Bisoequiv = _linkAtomAttribute( |
| 921 | + Bisoequiv = _link_atom_attribute( |
922 | 922 | "Bisoequiv", |
923 | 923 | """Array of Debye-Waller isotropic thermal displacement or equivalent |
924 | 924 | values. Assignment updates the U attribute of all `Atoms`.""", |
925 | 925 | ) |
926 | 926 |
|
927 | | - B11 = _linkAtomAttribute( |
| 927 | + B11 = _link_atom_attribute( |
928 | 928 | "B11", |
929 | 929 | """Array of `B11` elements of the Debye-Waller displacement tensors. |
930 | 930 | Assignment updates the U and anisotropy attributes of all `Atoms`.""", |
931 | 931 | ) |
932 | 932 |
|
933 | | - B22 = _linkAtomAttribute( |
| 933 | + B22 = _link_atom_attribute( |
934 | 934 | "B22", |
935 | 935 | """Array of `B22` elements of the Debye-Waller displacement tensors. |
936 | 936 | Assignment updates the U and anisotropy attributes of all `Atoms`.""", |
937 | 937 | ) |
938 | 938 |
|
939 | | - B33 = _linkAtomAttribute( |
| 939 | + B33 = _link_atom_attribute( |
940 | 940 | "B33", |
941 | 941 | """Array of `B33` elements of the Debye-Waller displacement tensors. |
942 | 942 | Assignment updates the U and anisotropy attributes of all `Atoms`.""", |
943 | 943 | ) |
944 | 944 |
|
945 | | - B12 = _linkAtomAttribute( |
| 945 | + B12 = _link_atom_attribute( |
946 | 946 | "B12", |
947 | 947 | """Array of `B12` elements of the Debye-Waller displacement tensors. |
948 | 948 | Assignment updates the U and anisotropy attributes of all `Atoms`.""", |
949 | 949 | ) |
950 | 950 |
|
951 | | - B13 = _linkAtomAttribute( |
| 951 | + B13 = _link_atom_attribute( |
952 | 952 | "B13", |
953 | 953 | """Array of `B13` elements of the Debye-Waller displacement tensors. |
954 | 954 | Assignment updates the U and anisotropy attributes of all `Atoms`.""", |
955 | 955 | ) |
956 | 956 |
|
957 | | - B23 = _linkAtomAttribute( |
| 957 | + B23 = _link_atom_attribute( |
958 | 958 | "B23", |
959 | 959 | """Array of `B23` elements of the Debye-Waller displacement tensors. |
960 | 960 | Assignment updates the U and anisotropy attributes of all `Atoms`.""", |
|
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