Fix missing keys Te + Nd in ELEM_COLORS_VESTA and support it in plot_structure_2d
#173
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new categories DFT + ML split out of comp details kew attrs in: Structural Composition and Chemical Thermodynamic Electronic Mechanical Thermal Optical Surface Defect Magnetic Computational Details
… UserWarning (with test)
checks for colors in kwargs and assigns that to elem_colors, then issues warning
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…one" tests/ptable/test_ptable_matplotlib.py:178:
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Mar 28, 2025
… `plot_structure_2d` (#173) * new attributes in Key enum new categories DFT + ML split out of comp details kew attrs in: Structural Composition and Chemical Thermodynamic Electronic Mechanical Thermal Optical Surface Defect Magnetic Computational Details * fix ELEM_COLORS_VESTA add missing elements Te and Nd * use gray as fallback element color if no color is specified and issue UserWarning (with test) * plot_structure_2d add support for ElemColorScheme.vesta * deprecate plot_structure_2d's colors keyword renamed to elem_colors checks for colors in kwargs and assigns that to elem_colors, then issues warning * fix SyntaxError: f-string expression part cannot include a backslash * split ptable module by backend into matplotlib and much smaller plotly * update readme * improve ptable_heatmap_plotly test coverage * improve test_ptable_heatmap_plotly_kwarg_combos
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plot_structure_2d'scolorsdeprecated, renamed toelem_colors. use fallback color"gray"if no color specified for element symbol in chosen color palettealso many new attributes in
Keyenum