From f99386e95c787e6a515ef7f645f3a180964e25d5 Mon Sep 17 00:00:00 2001 From: esoteric-ephemera Date: Wed, 20 May 2026 16:06:24 -0700 Subject: [PATCH 1/6] plotly 6 support --- crystal_toolkit/components/phase_diagram.py | 12 ++++++++---- crystal_toolkit/components/pourbaix.py | 18 ++++++++++++------ crystal_toolkit/components/xas.py | 12 ++++++++---- 3 files changed, 28 insertions(+), 14 deletions(-) diff --git a/crystal_toolkit/components/phase_diagram.py b/crystal_toolkit/components/phase_diagram.py index c48204d0..538ce465 100644 --- a/crystal_toolkit/components/phase_diagram.py +++ b/crystal_toolkit/components/phase_diagram.py @@ -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, @@ -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, @@ -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, }, diff --git a/crystal_toolkit/components/pourbaix.py b/crystal_toolkit/components/pourbaix.py index 64cc652f..8806945f 100644 --- a/crystal_toolkit/components/pourbaix.py +++ b/crystal_toolkit/components/pourbaix.py @@ -51,7 +51,10 @@ 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, @@ -59,13 +62,15 @@ class PourbaixDiagramComponent(MPComponent): "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], @@ -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, }, @@ -343,8 +347,10 @@ def get_figure( x=list(ph_range), y=list(v_range), colorbar={ - "title": "∆Gpbx (eV/atom)", - "titleside": "right", + "title": { + "text": "∆Gpbx (eV/atom)", + "side": "right", + }, }, colorscale=[ [0, "#000004"], diff --git a/crystal_toolkit/components/xas.py b/crystal_toolkit/components/xas.py index 42b125f2..d68dfbba 100644 --- a/crystal_toolkit/components/xas.py +++ b/crystal_toolkit/components/xas.py @@ -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, @@ -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, @@ -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, }, From f5a7397b7fd8aa197d8b8ccc0cb4e1cac7dc7b1d Mon Sep 17 00:00:00 2001 From: esoteric-ephemera Date: Wed, 20 May 2026 16:43:30 -0700 Subject: [PATCH 2/6] fix logger dict stuff --- crystal_toolkit/components/pourbaix.py | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/crystal_toolkit/components/pourbaix.py b/crystal_toolkit/components/pourbaix.py index 8806945f..b2249dfe 100644 --- a/crystal_toolkit/components/pourbaix.py +++ b/crystal_toolkit/components/pourbaix.py @@ -1,5 +1,6 @@ from __future__ import annotations +import json import logging import re @@ -902,12 +903,11 @@ 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.\n", + f"{json.dumps(heatmap_entry.as_dict())}\n", + f"{json.dumps(conc_dict)}\n", + f"{json.dumps(comp_dict)}", ) figure = self.get_figure( From 085785ee8fdc48f84530927cc1eec7770dfb44f4 Mon Sep 17 00:00:00 2001 From: esoteric-ephemera Date: Wed, 20 May 2026 16:45:48 -0700 Subject: [PATCH 3/6] fix logger dict stuff --- crystal_toolkit/components/pourbaix.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/crystal_toolkit/components/pourbaix.py b/crystal_toolkit/components/pourbaix.py index b2249dfe..bce08ed8 100644 --- a/crystal_toolkit/components/pourbaix.py +++ b/crystal_toolkit/components/pourbaix.py @@ -905,9 +905,9 @@ def make_figure( self.logger.debug( f"Generated pourbaix diagram with {len(pourbaix_entries)} entries.\n", - f"{json.dumps(heatmap_entry.as_dict())}\n", - f"{json.dumps(conc_dict)}\n", - f"{json.dumps(comp_dict)}", + f"{json.dumps(heatmap_entry.as_dict()) if heatmap_entry else ''}\n", + f"{json.dumps(conc_dict) if conc_dict else ''}\n", + f"{json.dumps(comp_dict) if comp_dict else ''}", ) figure = self.get_figure( From 83f085012f9b0d51afef28baa58c4ddc71861d29 Mon Sep 17 00:00:00 2001 From: esoteric-ephemera Date: Wed, 20 May 2026 16:46:59 -0700 Subject: [PATCH 4/6] fix logger dict stuff --- crystal_toolkit/components/pourbaix.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/crystal_toolkit/components/pourbaix.py b/crystal_toolkit/components/pourbaix.py index bce08ed8..38cbd238 100644 --- a/crystal_toolkit/components/pourbaix.py +++ b/crystal_toolkit/components/pourbaix.py @@ -904,10 +904,10 @@ def make_figure( ) self.logger.debug( - f"Generated pourbaix diagram with {len(pourbaix_entries)} entries.\n", - f"{json.dumps(heatmap_entry.as_dict()) if heatmap_entry else ''}\n", - f"{json.dumps(conc_dict) if conc_dict else ''}\n", - f"{json.dumps(comp_dict) if comp_dict else ''}", + f"Generated pourbaix diagram with {len(pourbaix_entries)} entries.", + f"{'\n' + json.dumps(heatmap_entry.as_dict()) if heatmap_entry else ''}", + f"{'\n' + json.dumps(conc_dict) if conc_dict else ''}", + f"{'\n' + json.dumps(comp_dict) if comp_dict else ''}", ) figure = self.get_figure( From 34b177e2f7ee4c1ded43e799f269fbad8eb4bb9f Mon Sep 17 00:00:00 2001 From: esoteric-ephemera Date: Wed, 20 May 2026 16:48:31 -0700 Subject: [PATCH 5/6] fix logger dict stuff --- crystal_toolkit/components/pourbaix.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/crystal_toolkit/components/pourbaix.py b/crystal_toolkit/components/pourbaix.py index 38cbd238..f18b3c16 100644 --- a/crystal_toolkit/components/pourbaix.py +++ b/crystal_toolkit/components/pourbaix.py @@ -904,10 +904,10 @@ def make_figure( ) self.logger.debug( - f"Generated pourbaix diagram with {len(pourbaix_entries)} entries.", - f"{'\n' + json.dumps(heatmap_entry.as_dict()) if heatmap_entry else ''}", - f"{'\n' + json.dumps(conc_dict) if conc_dict else ''}", - f"{'\n' + json.dumps(comp_dict) if comp_dict else ''}", + f"Generated pourbaix diagram with {len(pourbaix_entries)} entries." + f"{'\n' + json.dumps(heatmap_entry.as_dict()) if heatmap_entry else ''}" + f"{'\n' + json.dumps(conc_dict) if conc_dict else ''}" + f"{'\n' + json.dumps(comp_dict) if comp_dict else ''}" ) figure = self.get_figure( From 8950d2f371f8ceb2eab1cfa0c988fbe436581bb2 Mon Sep 17 00:00:00 2001 From: esoteric-ephemera Date: Wed, 20 May 2026 16:49:29 -0700 Subject: [PATCH 6/6] remove un-needful logging --- crystal_toolkit/components/pourbaix.py | 4 ---- 1 file changed, 4 deletions(-) diff --git a/crystal_toolkit/components/pourbaix.py b/crystal_toolkit/components/pourbaix.py index f18b3c16..7fcf31d0 100644 --- a/crystal_toolkit/components/pourbaix.py +++ b/crystal_toolkit/components/pourbaix.py @@ -1,6 +1,5 @@ from __future__ import annotations -import json import logging import re @@ -905,9 +904,6 @@ def make_figure( self.logger.debug( f"Generated pourbaix diagram with {len(pourbaix_entries)} entries." - f"{'\n' + json.dumps(heatmap_entry.as_dict()) if heatmap_entry else ''}" - f"{'\n' + json.dumps(conc_dict) if conc_dict else ''}" - f"{'\n' + json.dumps(comp_dict) if comp_dict else ''}" ) figure = self.get_figure(