Updating Ternary and Quaternary Plots #3948
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Adds marker labels to 3D ternary plots Adds additional spacing to 2D and 3D hovertext so it is easier to read. Signed-off-by: JoshuaNgXY <jxng@lbl.gov>
Signed-off-by: JoshuaNgXY <jxng@lbl.gov>
Variable name update Signed-off-by: JoshuaNgXY <jxng@lbl.gov>
Updated hovertext to specify "Formation energy" and "Energy above hull". Updated Quaternary plot to have labels for atomic concentration of elements. Added a label to quaternary plot which allows users to toggle the hull surfaces so that the inner points can be accessed. Signed-off-by: JoshuaNgXY <jxng@lbl.gov>
Head branch was pushed to by a user without write access
Small variable name change to fix pre-commit Signed-off-by: JoshuaNgXY <jxng@lbl.gov>
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Thanks for this PR @JoshuaNgXY! Since it deals with plotting can you add some screenshots? |
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Sure, here are the before and after for the ternary and quaternary plots. Ternary Plot Update:Old
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Quaternary Plot Update:Old
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@JoshuaNgXY is working with MP to update the PD plotting functionality. If you think it's good to go then we can then update the dependencies. Thank you @mkhorton @janosh ! |
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Added labels for the x value to points on the voltage graph so they are easier to read. Signed-off-by: JoshuaNgXY <joshuang@g.ucla.edu>
Update Voltage Graph
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Battery Voltage Graph has added labels to the hovertext to display the x location and the corresponding x-axis title. After: |
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Reformatting the Battery hovertext to include more information about the x-axis.
| color=next(fillcolors), | ||
| legendgroup="facets", | ||
| ) | ||
| ] |
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Adding the legendgroup to the facets of the quaternary graph. The first facet is used as the entry to the legend and defines the name which appears in the legend.
| if e_above_hull > self.show_unstable: | ||
| continue | ||
| label += f" ({e_above_hull:+} eV/atom)" | ||
| label += f" Energy Above Hull: ({e_above_hull:+} eV/atom)" |
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Alongside 3008, small format change
| label += "<br>" | ||
| total_sum_el = sum(entry.composition[el] for el, _axis in zip(self._pd.elements, range(self._dim))) | ||
| for el, _axis in zip(self._pd.elements, range(self._dim)): | ||
| label += f"<br> {el}: {round(entry.composition[el]/total_sum_el, 6)}" |
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Updating Ternary hovertext
| label += "<br>" | ||
| total_sum_el = sum(entry.composition[el] for el, _axis in zip(self._pd.elements, range(self._dim))) | ||
| for el, _axis in zip(self._pd.elements, range(self._dim)): | ||
| label += f"<br> {el}: {round(entry.composition[el]/total_sum_el, 6)}" |
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Updating Quaternary Hovertext
Trying to fix tests Signed-off-by: JoshuaNgXY <joshuang@g.ucla.edu>
Barebones fix to pass tests Signed-off-by: JoshuaNgXY <joshuang@g.ucla.edu>
Summary
The atomic concentrations of each material in the ternary graph are added to the 2D and 3D ternary graphs for readability. A toggle is added to the quaternary graph hull surfaces.
Extra labels added to hovertext of the Voltage graph for readability.
Adding atomic concentrations:
get_marker_props()for both the ternary and quaternary graphs.Adding Toggle to Quaternary Graph Hull Surfaces:
facets. The first 3D Mesh object is used to display the whole group in the legend, and is renamed toHull Surfaces (toggle to access points easier).