Overview page
Initial layout for the overview page of DFT/computational entries. The following components should be available in the overview:
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Separate raw files into their own tab -
Show new overview for the DFT domain only, other domains should use the old view -
Material card: Shows material properties, link to encyclopedia, representative and conventional systems if available. -
Method card: Shows all available method properties. -
Entry card: shows the user metainfo (comments, datasets, etc), processing info and all available IDs. -
Electronic properties card: shows the band structure, Brillouin zone and DOS plots. -
Geometry optimization card: shows the energy convergence along the trajectory together with the trajectory in a structure viewer. If convergence criteria are available, show also them in the plot. -
Thermal properties card: Show the Phonon dispersion and DOS.
Tasks based on @mscheidg comments:
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for example the toggle structure button group could go into a StructureProperty component that takes a dict of structure data. I modified the Structure component to also accept several structures, which can be toggled. Because the Placeholder needs to also cover these toggle buttons, it is for now easier to integrate the toggle inside Structure.
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You use the same card, card header, card contents on all properties; this could also be an extra component I split the reused parts into private subcomponents within DFTEntryOverview.
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Structure is not using Plot, but they should the reusing the same buttons. I created a new
Actions
-component that represents a list of actionable buttons (icons or regular buttons). This component is now used by Structure, Plot and DFTEntryOverview. -
The placeholders should be managed by the view components. They can decide this on whether they are given an undefined/null or defined data prop. All property view components should set placeholders, not just structure. Now
Plot
,Structure
andBrillouinZone
have integrated Placeholders, which are shown automatically, and go away once the component is loaded and can be interacted with. -
Electronic Structure should have a fixed configuration. BS and DOS side-by-side, BZ below BS. This would be consistent with the BS x-y-axis direction of interactivity between BS/BZ (x) and BS/DOS (y). Now BZ is always below BS. If only BS/BZ or DOS are available, the card is justified to the left side. There currently is no visualization of the k-point path within BZ, but it can be added.
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Plot should have configurable aspect ratio, property views should then just use a fixed ratio. The Plot component has the aspectRatio attribute, which is used by all plots in the overview.
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The ToggleButtonGroup is still in lab for our mui version. It does not respect the button size parameter yet. We should upgrade the version. ToggleButtons are still in lab even in the most recent MUI version. Is it OK to use lab components? I assumed so because also the
Autocomplete
component was used from there. The size parameter seems to work fine, but the smallest size is a bit too big. I used custom style to make the button a bit smaller. -
You produce source code lines that are two long. Consider multiline formatting long prop lists. I think we need a lint rule for this, otherwise I'm not sure what is too long.