masci-tools
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Todos for plotting methods after fleur workshop
These things I plan to work on for the plotting methods but probably won't get to till after the fleur workshop:
- [x] matplotlib has a similar capability to bokeh to provide a dataframe and the keys you want to plot via the
data
argument (https://stackoverflow.com/questions/39919170/matplotlib-scatter-plot-how-to-use-the-data-argument). We can use that to unify the interface for passing data and provide a unified way to still provide direct lists to plot (look atbokeh_line
for example) - [x] plot_fleur_dos should be able to take kwargs with parameters specified in dicts with the keys corresponding to the DOS component. This way we could say
color={'MT:1': 'red'}
without needing to know the exact order of the plots - [x] Implement unified plotting functions for common plots for all backends
- [x] Expand tests in
plot_methods
andbokeh_plots
- [x] I'm still not happy with the default color palette for DOS plots. Maybe we can design something custom there
- [ ] Bokeh bandstructure plots have no working tooltips at the moment. One idea I had for this:
- [ ] Hover tool to highlight complete bands and show avg/min/max eigenvalues and in weighted case show avg/min/max weight
- [ ] Selection tool for bands
- [x] Look how much can be simplified in
periodic_table_plot
by introducing the BokehPlotter