# Band structure visualizer

## List of features needed

* Basic functionality (needed for MC2D/MC3D/SSSP and can replace current version):
* list of band structures
* DOS with multiple data series
* interactively show/hide bands/dos series
* Interactive PAN, SLIDE , ZOOM IN/OUT functionality
* Aspect ratio (1D system Gamma-X bands)
* Labels (Properly visualization when having a big number of labels)
* Coloring (We need an smart way to properly coloring pdos)
* Advanced functionality (e.g. for AiiDAlab or future MC features)
* BandStructure Magnetic system (spins either all together / separate in different panels)
* Fat bands feature for BandStructure
* what API to pass in data?
* keep similar to current mc-react-bands, but potentially iterate/improve the parts that are not optimal

## Meeting 2024-10-22

Kristjan:
* Current react band structure component: https://github.com/materialscloud-org/mc-react-bands
* Took the old, messy chart.js code and "hacked" it into a react component. functions ok, but not easy to maintain or modify. Would be great to have a new version replacing this.
* current API:
* bands: list of AiiDA exported band structure in json format:
* verdi data band export <PK> --format=json
* DOS:

    dos_data = {
        "fermi_energy": -7.0,
        "dos": [
            {
                "label": "Total DOS",          # required
                "x": [0.0, 0.1, 0.2],          # required
                "y": [1.2, 3.2, 0.0],          # required
                "lineStyle": "dash",           # optional
                "borderColor": "#41e2b3",      # optional
                "backgroundColor": "#51258b",  # optional
            },
            {
                "label": "Co",
                "x": [0.0, 0.1, 0.2],
                "y": [1.2, 3.2, 0.0],
                "lineStyle": "solid",
                "borderColor": "#43ee8b",
                "backgroundColor": "#59595c",
            },
        ],
    }

* API doesn't need to stay the same, but probably good to keep it easily usable with AiiDA bandstructures.
* There is also a corresponding jupyter widget made with `anywidget`: https://github.com/osscar-org/widget-bandsplot
* There are 2 papers about these libraries, so good to perhaps develop a new plotly version for the `mc-react-bands`, instead of making a separate library/widget.

Notes:
* Edan: solara discussion
* you can't make a solara widget and make it in react
* proposal:
* just a new typescript plotly version of `mc-react-bands`
* how to make it usable for phonons?
* separate bands and dos widget?
* probably more difficult to maintain/modify (?)
* where can we see the python bands widget: aiidalab qe app
* Andres:
* plotly widget - bandspdosplotly
* wrapper that receives aiida nodes
* performance is bad
* https://dash.plotly.com/ (Dash JS for Jupyter Widgets ) https://dash.plotly.com/dash-in-jupyter (Edan Would you have a look - Opinion on this?)
* What features do we need?
* Andres:
* Coloring - We need a better way to properly color the plots (based on all the grouping options we have currently: Atoms - Orbitals - Angular Momentum - Kinds )
* Aspect Ratio, for 1D systems like Gamma to X bands, there should be a different aspect ratio of the bands plot
* handling spin: two different band structure panels/plots for each spin channel (optionally)
* Potential initial version:
* just a list of bands
* and DOS
* Solara? - wait for Edan's demo