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Update pair_distance_histogram.py
1 parent 3dba213 commit d5585f6

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Lines changed: 6 additions & 6 deletions

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pair_distance_histogram.py

Lines changed: 6 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -365,7 +365,7 @@ def render_pair_distance_histogram_tab(working_structure, chem_symbols, use_subl
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"📊 Calculate Histogram",
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type="primary",
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key="calc_histogram_atat",
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use_container_width=True
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width='stretch'
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)
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if calculate_btn:
@@ -495,7 +495,7 @@ def _display_histogram_results(histogram_data, use_sublattice_mode, sublattice_l
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fig = create_pair_distance_histogram_plot(histogram_data, use_normalized=use_normalized)
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if fig:
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st.plotly_chart(fig, use_container_width=True)
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st.plotly_chart(fig, width='stretch')
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with st.expander("🔍 First 15 Distance Shells", expanded=False):
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detail_data = []
@@ -518,7 +518,7 @@ def _display_histogram_results(histogram_data, use_sublattice_mode, sublattice_l
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})
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detail_df = pd.DataFrame(detail_data)
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st.dataframe(detail_df, use_container_width=True, hide_index=True)
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st.dataframe(detail_df, width='stretch', hide_index=True)
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st.subheader("💡 Suggested Cluster Cutoff Distances")
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suggestions = suggest_cutoff_distances(histogram_data, num_suggestions=8, use_normalized=use_normalized)
@@ -537,7 +537,7 @@ def _display_histogram_results(histogram_data, use_sublattice_mode, sublattice_l
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})
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suggestion_df = pd.DataFrame(suggestion_data)
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st.dataframe(suggestion_df, use_container_width=True, hide_index=True)
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st.dataframe(suggestion_df, width='stretch', hide_index=True)
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else:
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st.warning("No significant gaps found in the distance distribution.")
@@ -572,7 +572,7 @@ def _display_histogram_results(histogram_data, use_sublattice_mode, sublattice_l
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file_name="pair_distance_histogram.csv",
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mime="text/csv",
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key=f"download_histogram_csv{dl_key_suffix}",
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use_container_width=True,
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width='stretch',
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type = "primary"
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)
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@@ -585,6 +585,6 @@ def _display_histogram_results(histogram_data, use_sublattice_mode, sublattice_l
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file_name="cutoff_suggestions.csv",
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mime="text/csv",
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key=f"download_suggestions_csv{dl_key_suffix}",
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use_container_width=True,
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width='stretch',
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type="primary"
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)

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