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Plotly 6 support #536

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Merged
minhsueh merged 6 commits into from
May 20, 2026
Merged

Plotly 6 support #536

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f99386e
plotly 6 support
esoteric-ephemera May 20, 2026
f5a7397
fix logger dict stuff
esoteric-ephemera May 20, 2026
085785e
fix logger dict stuff
esoteric-ephemera May 20, 2026
83f0850
fix logger dict stuff
esoteric-ephemera May 20, 2026
34b177e
fix logger dict stuff
esoteric-ephemera May 20, 2026
8950d2f
remove un-needful logging
esoteric-ephemera May 20, 2026
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12 changes: 8 additions & 4 deletions crystal_toolkit/components/phase_diagram.py
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Original file line number Diff line number Diff line change
Expand Up @@ -36,7 +36,10 @@ def __init__(self, *args, **kwargs) -> None:
# Default plot layouts for Binary (2), Ternary (3), Quaternary (4) phase diagrams
default_binary_plot_style = frozendict(
xaxis={
"title": "Fraction",
"title": {
"text": "Fraction",
"font": {"color": "#000000", "size": 24.0},
},
"anchor": "y",
"mirror": "ticks",
"nticks": 8,
Expand All @@ -45,12 +48,14 @@ def __init__(self, *args, **kwargs) -> None:
"side": "bottom",
"tickfont": {"size": 16.0},
"ticks": "inside",
"titlefont": {"color": "#000000", "size": 24.0},
"type": "linear",
"zeroline": False,
},
yaxis={
"title": "Formation energy (eV/fu)",
"title": {
"text": "Formation energy (eV/fu)",
"font": {"color": "#000000", "size": 24.0},
},
"anchor": "x",
"mirror": "ticks",
"nticks": 7,
Expand All @@ -59,7 +64,6 @@ def __init__(self, *args, **kwargs) -> None:
"side": "left",
"tickfont": {"size": 16.0},
"ticks": "inside",
"titlefont": {"color": "#000000", "size": 24.0},
"type": "linear",
"zeroline": False,
},
Expand Down
26 changes: 14 additions & 12 deletions crystal_toolkit/components/pourbaix.py
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Original file line number Diff line number Diff line change
Expand Up @@ -51,21 +51,26 @@ class PourbaixDiagramComponent(MPComponent):

default_plot_style = frozendict(
xaxis={
"title": "pH",
"title": {
"text": "pH",
"font": {"color": "#000000", "size": 24.0},
},
"anchor": "y",
"mirror": "ticks",
"showgrid": False,
"showline": True,
"side": "bottom",
"tickfont": {"size": 16.0},
"ticks": "inside",
"titlefont": {"color": "#000000", "size": 24.0},
"type": "linear",
"zeroline": False,
"range": [MIN_PH, MAX_PH],
},
yaxis={
"title": "Applied Potential (V vs. SHE)",
"title": {
"text": "Applied Potential (V vs. SHE)",
"font": {"color": "#000000", "size": 24.0},
},
"anchor": "x",
"mirror": "ticks",
"range": [MIN_V, MAX_V],
Expand All @@ -74,7 +79,6 @@ class PourbaixDiagramComponent(MPComponent):
"side": "left",
"tickfont": {"size": 16.0},
"ticks": "inside",
"titlefont": {"color": "#000000", "size": 24.0},
"type": "linear",
"zeroline": False,
},
Expand Down Expand Up @@ -343,8 +347,10 @@ def get_figure(
x=list(ph_range),
y=list(v_range),
colorbar={
"title": "∆G<sub>pbx</sub> (eV/atom)",
"titleside": "right",
"title": {
"text": "∆G<sub>pbx</sub> (eV/atom)",
"side": "right",
},
},
colorscale=[
[0, "#000004"],
Expand Down Expand Up @@ -896,12 +902,8 @@ def make_figure(
filter_solids=kwargs["filter_solids"],
)

self.logger.debug( # noqa: PLE1205
"Generated pourbaix diagram",
len(pourbaix_entries),
heatmap_entry,
conc_dict,
comp_dict,
self.logger.debug(
f"Generated pourbaix diagram with {len(pourbaix_entries)} entries."
)

figure = self.get_figure(
Expand Down
12 changes: 8 additions & 4 deletions crystal_toolkit/components/xas.py
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Original file line number Diff line number Diff line change
Expand Up @@ -23,7 +23,10 @@ def __init__(self, *args, **kwargs) -> None:

default_xas_layout = frozendict(
xaxis={
"title": "Energy (eV)",
"title": {
"text": "Energy (eV)",
"font": {"size": 16.0},
},
"anchor": "y",
"mirror": "ticks",
"nticks": 8,
Expand All @@ -32,12 +35,14 @@ def __init__(self, *args, **kwargs) -> None:
"side": "bottom",
"tickfont": {"size": 16.0},
"ticks": "inside",
"titlefont": {"size": 16.0},
"type": "linear",
"zeroline": False,
},
yaxis={
"title": "Absorption Coeff, μ (a.u.)",
"title": {
"text": "Absorption Coeff, μ (a.u.)",
"font": {"size": 16.0},
},
"anchor": "x",
"mirror": "ticks",
"nticks": 7,
Expand All @@ -46,7 +51,6 @@ def __init__(self, *args, **kwargs) -> None:
"side": "left",
"tickfont": {"size": 16.0},
"ticks": "inside",
"titlefont": {"size": 16.0},
"type": "linear",
"zeroline": False,
},
Expand Down
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