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Runtime error
Runtime error
Improve plotly visualization sizing and rendering with CDN and proper styling
Browse files- app.py +19 -7
- force_rebuild.txt +1 -1
app.py
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@@ -292,21 +292,33 @@ def smiles_to_molecular_orbitals(smiles_input: str, name_input: str) -> str:
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fig.update_layout(
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title=f'{label} Orbital',
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scene=dict(
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xaxis_title='X',
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yaxis_title='Y',
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zaxis_title='Z'
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)
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# Generate HTML
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import plotly.io as pio
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-
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if not html_sections:
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return "<p>Could not prepare HOMO/LUMO visualizations.</p>"
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except Exception as exc: # pragma: no cover - runtime heavy
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return f"<p>Unable to compute molecular orbitals: {exc}</p>"
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finally:
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fig.update_layout(
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title=f'{label} Orbital',
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width=800,
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height=600,
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scene=dict(
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xaxis_title='X (Å)',
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yaxis_title='Y (Å)',
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zaxis_title='Z (Å)',
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aspectmode='data'
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),
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margin=dict(l=0, r=0, t=40, b=0)
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)
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# Generate HTML with config
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import plotly.io as pio
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config = {
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'displayModeBar': True,
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'displaylogo': False,
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'modeBarButtonsToRemove': ['toImage']
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}
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plot_html = pio.to_html(fig, full_html=False, include_plotlyjs='cdn', config=config)
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html_sections.append(f"<div style='margin: 20px 0;'><h3>{label}</h3>{plot_html}</div>")
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if not html_sections:
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return "<p>Could not prepare HOMO/LUMO visualizations.</p>"
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# Wrap in a container div with proper styling
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result_html = "<div style='width: 100%; max-width: 1200px;'>" + "".join(html_sections) + "</div>"
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return result_html
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except Exception as exc: # pragma: no cover - runtime heavy
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return f"<p>Unable to compute molecular orbitals: {exc}</p>"
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finally:
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force_rebuild.txt
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@@ -1,2 +1,2 @@
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# Force rebuild
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-
2025-11-08
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# Force rebuild
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+
2025-11-08 v8
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