import streamlit as st import plotly.graph_objects as go import plotly.express as px import numpy as np import pandas as pd from PIL import Image import io from datetime import datetime import matplotlib.pyplot as plt import scanpy as sc from itertools import combinations from typing import Optional from scipy.sparse import issparse from scipy.stats import mannwhitneyu from src.backend.flux_distribution import adata_to_long_df, p_to_star # Standard color map for metabolic interaction types INTERACTION_COLORS = { "Competition": "#d32f2f", # Red "Release": "#1976d2", # Blue "Cooperation": "#388e3c", # Green "Amensalism": "#fbc02d", # Amber "Neutralism": "#7b1fa2", # Purple "Interaction": "#607d8b" # Grey (fallback) } try: from statsmodels.stats.multitest import multipletests _HAS_STATSMODELS = True except ImportError: _HAS_STATSMODELS = False def display_help_button(help_text, plot_name): """ Shows a help popover with insights for the plot. """ if help_text: with st.popover("", icon=":material/help:", help="Click for insights", use_container_width=True): st.markdown(f"#### Plot Insights", unsafe_allow_html=True) st.markdown(help_text) def display_plot_with_download(fig, plot_name: str = "plot", help_text: str = None): """ Display a matplotlib figure with aligned help and download buttons on top right. Reuses same figure object to prevent flickering. """ # Use consistent column ratios: Spacer, Help, Download. cols = st.columns([0.7, 0.2, 0.1], gap="small") with cols[1]: display_help_button(help_text, plot_name) with cols[2]: # Generate PDF file pdf_buffer = io.BytesIO() fig.savefig(pdf_buffer, format='pdf', dpi=300, bbox_inches='tight') file_data = pdf_buffer.getvalue() st.download_button( label="", data=file_data, file_name=f"{plot_name}_{datetime.now().strftime('%Y%m%d_%H%M%S')}.pdf", mime="application/pdf", key=f"download_{plot_name}_{id(fig)}", help="Download as PDF", icon=":material/download:", use_container_width=True ) # Display the plot st.pyplot(fig, use_container_width=False) def display_plotly_with_download(fig, plot_name: str = "plot", help_text: str = None): """ Display a Plotly figure with aligned help button on top right. Optimized to prevent flickering on reruns. """ cols = st.columns([0.7, 0.2, 0.1], gap="small") with cols[1]: display_help_button(help_text, plot_name) with cols[2]: st.empty() # Use a unique key to prevent redraws and add config to disable animations for faster rendering st.plotly_chart( fig, use_container_width=False, key=f"plotly_{plot_name}_{id(fig)}", config={"displayModeBar": False, "responsive": True, "staticPlot": False} ) def display_interactive_spatial_plot(adata, color_key="domain", spot_size = 6, plot_name="spatial_plot", title: Optional[str] = None, help_text: Optional[str] = None): # spot_size = spot_size try: # Create columns for help/download above the plot if help_text is provided if help_text: col_space, col_help, col_download = st.columns([5.0, 0.5, 0.5], gap="small") with col_help: display_help_button(help_text, plot_name) library_id = list(adata.uns["spatial"].keys())[0] img_key = "hires" if "hires" in adata.uns["spatial"][library_id]["images"] else "downscaled_fullres" img = adata.uns["spatial"][library_id]["images"][img_key] sf_key = f"tissue_{img_key}_scalef" sf = adata.uns["spatial"][library_id]["scalefactors"][sf_key] coords = adata.obsm["spatial"] * sf if color_key in adata.var_names: var_idx = adata.var_names.get_loc(color_key) raw = adata.X[:, var_idx] color_values = raw.toarray().flatten() if hasattr(raw, "toarray") else np.asarray(raw).flatten() is_categorical = False elif color_key in adata.obs.columns: color_values = adata.obs[color_key].values is_categorical = not pd.api.types.is_numeric_dtype(adata.obs[color_key]) else: color_values = np.full(len(coords), "N/A") is_categorical = True df = pd.DataFrame({ "x": coords[:, 0], "y": coords[:, 1], "color": color_values.astype(str) if is_categorical else color_values, "domain": adata.obs["domain"].values if "domain" in adata.obs.columns else "N/A", "spot_id": adata.obs_names.tolist() }) last_key = st.session_state.get(f"{plot_name}_last_key") if last_key != color_key: st.session_state.pop(f"{plot_name}_relayout", None) st.session_state[f"{plot_name}_last_key"] = color_key plot_state = st.session_state.get(plot_name, {}) relayout = None if isinstance(plot_state, dict): relayout = plot_state.get("relayout_data") or plot_state.get("relayout") elif hasattr(plot_state, "selection"): relayout = getattr(plot_state, "relayout_data", None) zoom_ratio = 1.0 has_zoom = relayout and isinstance(relayout, dict) and "xaxis.range[0]" in relayout if has_zoom: try: xr = [relayout["xaxis.range[0]"], relayout["xaxis.range[1]"]] zoom_ratio = abs(xr[1] - xr[0]) / img.shape[1] except (IndexError, KeyError, ZeroDivisionError): zoom_ratio = 1.0 fig = go.Figure() fig.add_layout_image( dict( source=Image.fromarray((img * 255).astype(np.uint8)), xref="x", yref="y", x=0, y=0, sizex=img.shape[1], sizey=img.shape[0], sizing="stretch", layer="below" ) ) if is_categorical: palette = px.colors.qualitative.T10 unique_vals = sorted(df["color"].astype(str).unique()) for i, val in enumerate(unique_vals): sub = df[df["color"].astype(str) == val] fig.add_trace(go.Scattergl( x=sub["x"], y=sub["y"], customdata=np.stack((sub["spot_id"], sub["domain"]), axis=-1), mode="markers", name=str(val), marker=dict( size=spot_size, color=palette[i % len(palette)], line=dict(width=0.5, color='white') ), hovertemplate=( "Domain: %{customdata[1]}
" "ID: %{customdata[0]}" "" ) )) else: fig.add_trace(go.Scattergl( x=df["x"], y=df["y"], customdata=np.stack((df["spot_id"], df["domain"]), axis=-1), mode="markers", marker=dict( size=spot_size, color=df["color"], colorscale="Jet", showscale=True, colorbar=dict( thickness=8, len=0.75, xref="paper", yref="paper", tickfont=dict(size=10), outlinewidth=0, ), line=dict(width=0.3, color='white') ), hovertemplate=( "Domain: %{customdata[1]}
" f"Flux: %{{marker.color:.3e}}
" "ID: %{customdata[0]}" "" ) )) # Enforce square axes aligned to tissue image fig.update_xaxes( visible=False, range=[0, img.shape[1]], scaleanchor="y", scaleratio=1, ) fig.update_yaxes( visible=False, range=[img.shape[0], 0], scaleanchor="x", scaleratio=1, constrain="domain", ) fig.update_layout( title=dict( text=title if title else "", x=0.5, y=0.98, xanchor="center", yanchor="top", font=dict(size=16) ) if title else None, margin=dict(l=0, r=0, t=40 if title else 0, b=0), legend=dict( orientation="v", yanchor="top", y=0.99, xanchor="left", x=0.01, bgcolor="rgba(255,255,255,0.6)" ), paper_bgcolor='rgba(0,0,0,0)', plot_bgcolor='rgba(0,0,0,0)', dragmode="pan", uirevision="constant" ) plot_event = st.plotly_chart( fig, use_container_width=False, config={'scrollZoom': True}, key=plot_name, on_select="rerun" ) if plot_event and hasattr(plot_event, "get"): relayout = plot_event.get("relayout_data") or plot_event.get("selection", {}).get("relayout_data") if relayout: st.session_state[f"{plot_name}_relayout"] = relayout return True except Exception as e: st.error(f"Error rendering interactive plot: {e}") return False def display_formatted_table(df: pd.DataFrame, title: Optional[str] = None): """Display a dataframe with scientific notation for small float values.""" if title: st.markdown(f"##### {title}", unsafe_allow_html=True) config = {} if not df.empty: for col in df.select_dtypes(include=['float']).columns: if 'p_val' in col.lower() or 'pvalue' in col.lower() or df[col].abs().max() < 1e-2: config[col] = st.column_config.NumberColumn(format="%.2e") else: config[col] = st.column_config.NumberColumn(format="%.4f") st.dataframe(df, width='stretch', column_config=config) def add_significance_brackets(ax, df, domain_order, y_col="flux"): """ Add pairwise significance brackets above a boxen/box plot. Uses Mann-Whitney U test with FDR-BH correction across all pairs. Only significant pairs (p_adj < 0.05) are annotated. """ pairs = list(combinations(domain_order, 2)) pvalues = [] valid_pairs = [] for d1, d2 in pairs: g1 = df.loc[df["domain"] == d1, y_col].dropna() g2 = df.loc[df["domain"] == d2, y_col].dropna() if len(g1) < 3 or len(g2) < 3: continue _, p = mannwhitneyu(g1, g2, alternative="two-sided") pvalues.append(p) valid_pairs.append((d1, d2)) if not valid_pairs: return if _HAS_STATSMODELS: _, p_adj, _, _ = multipletests(pvalues, method="fdr_bh") else: p_adj = np.array(pvalues) y_max = df[y_col].max() y_range = df[y_col].max() - df[y_col].min() step = y_range * 0.08 bracket_y = y_max + step for (d1, d2), p in zip(valid_pairs, p_adj): star = p_to_star(p) if star == "ns": continue x1 = domain_order.index(d1) x2 = domain_order.index(d2) mid = (x1 + x2) / 2 ax.plot([x1, x1, x2, x2], [bracket_y, bracket_y + step * 0.3, bracket_y + step * 0.3, bracket_y], lw=1.2, c="black") ax.text(mid, bracket_y + step * 0.35, star, ha="center", va="bottom", fontsize=9) bracket_y += step * 0.9 # stack brackets upward def create_plotly_tme_plot(adata, interaction_type_df, interaction_score_df, selected_rxn_id, selected_display_name, percentile_threshold=95): coords_df = pd.DataFrame(adata.obsm["spatial"], index=adata.obs.index, columns=['x', 'y']) y_max = coords_df['y'].max() coords_df['y_plot'] = y_max - coords_df['y'] coords_df['domain'] = adata.obs['domain'] if 'domain' in adata.obs.columns else "N/A" if percentile_threshold > 0: thresh = interaction_score_df['Interaction score'].quantile(percentile_threshold / 100) scores = interaction_score_df[interaction_score_df['Interaction score'] >= thresh] else: scores = interaction_score_df rxn_mask = interaction_type_df['Reaction'].str.replace(r'_(b|f)$', '', regex=True) == selected_rxn_id rxn_data = interaction_type_df[rxn_mask] merged = pd.merge(rxn_data, scores, on=['Source', 'Target']) if merged.empty: return None fig = go.Figure() fig.add_trace(go.Scattergl( x=coords_df['x'], y=coords_df['y_plot'], mode='markers', marker=dict(size=4, color='#bdbdbd', opacity=0.5), # All spots in background name='Tissue Background', customdata=np.stack((coords_df.index, coords_df['domain']), axis=-1), hovertemplate="Spot ID: %{customdata[0]}
Domain: %{customdata[1]}", showlegend=False )) types = merged['Interaction type'].unique() colors = px.colors.qualitative.T10 for i, t in enumerate(types): sub = merged[merged['Interaction type'] == t] s_coords = coords_df.loc[sub['Source'], ['x', 'y_plot']].values t_coords = coords_df.loc[sub['Target'], ['x', 'y_plot']].values n = len(sub) edge_x = np.full(n * 3, np.nan) edge_y = np.full(n * 3, np.nan) edge_x[0::3] = s_coords[:, 0]; edge_x[1::3] = t_coords[:, 0] edge_y[0::3] = s_coords[:, 1]; edge_y[1::3] = t_coords[:, 1] fig.add_trace(go.Scattergl( x=edge_x, y=edge_y, mode='lines', line=dict(width=3, color=INTERACTION_COLORS.get(t, "#607d8b")), name=str(t), hoverinfo='none', # Hover is handled by midpoints connectgaps=False )) # Midpoints for robust hover in the middle of lines mid_x = (s_coords[:, 0] + t_coords[:, 0]) / 2 mid_y = (s_coords[:, 1] + t_coords[:, 1]) / 2 fig.add_trace(go.Scattergl( x=mid_x, y=mid_y, mode='markers', marker=dict(size=12, opacity=0), # Large invisible target name=str(t), hovertemplate=f"Interaction: {t}
Score: %{{customdata:.4f}}", customdata=sub['Interaction score'].values, showlegend=False )) active_spots = sorted(list(set(merged['Source']).union(set(merged['Target'])))) active_df = coords_df.loc[active_spots] fig.add_trace(go.Scattergl( x=active_df['x'], y=active_df['y_plot'], mode='markers', marker=dict(size=5, color='#424242', opacity=0.9, line=dict(width=1, color='white')), name='Interacting Spots', customdata=np.stack((active_df.index, active_df['domain']), axis=-1), hovertemplate="Spot ID: %{customdata[0]}
Domain: %{customdata[1]}", showlegend=True )) fig.update_layout( title=dict( text=f"Metabolic Interactions: {selected_display_name}", ), xaxis=dict(visible=False), yaxis=dict(visible=False, scaleanchor="x"), plot_bgcolor='#fcfcfc', paper_bgcolor='white', width=850, height=850, margin=dict(l=10, r=10, t=60, b=10), legend=dict(orientation="h", y=1.02, x=0, xanchor="left", title="Interaction Type:"), hovermode='closest', hoverdistance=30 # Makes it easier to hover on lines ) return fig def create_plotly_comm_plot(interaction_scores, adata, percentile_threshold=80): """ Optimized Communication Strength plot using WebGL and vectorized coordinates. """ coords_df = pd.DataFrame(adata.obsm["spatial"], index=adata.obs.index, columns=['x', 'y']) y_max = coords_df['y'].max() coords_df['y_plot'] = y_max - coords_df['y'] coords_df['domain'] = adata.obs['domain'] if 'domain' in adata.obs.columns else "N/A" if percentile_threshold > 0: thresh = interaction_scores['Interaction score'].quantile(percentile_threshold / 100) interaction_scores = interaction_scores[interaction_scores['Interaction score'] >= thresh] valid = interaction_scores[ (interaction_scores['Source'].isin(coords_df.index)) & (interaction_scores['Target'].isin(coords_df.index)) ] if valid.empty: return None fig = go.Figure() # Background fig.add_trace(go.Scattergl( x=coords_df['x'], y=coords_df['y_plot'], mode='markers', marker=dict(size=4, color='#bdbdbd', opacity=0.3), # All spots in background name='Tissue Background', customdata=np.stack((coords_df.index, coords_df['domain']), axis=-1), hovertemplate="Spot ID: %{customdata[0]}
Domain: %{customdata[1]}", showlegend=False )) # Binned Edges (Vectorized) n_bins = 5 valid = valid.copy() valid['bin'] = pd.qcut(valid['Interaction score'], n_bins, labels=False, duplicates='drop') for b in range(n_bins): sub = valid[valid['bin'] == b] if sub.empty: continue s_coords = coords_df.loc[sub['Source'], ['x', 'y_plot']].values t_coords = coords_df.loc[sub['Target'], ['x', 'y_plot']].values n = len(sub) edge_x = np.full(n * 3, np.nan) edge_y = np.full(n * 3, np.nan) edge_x[0::3] = s_coords[:, 0]; edge_x[1::3] = t_coords[:, 0] edge_y[0::3] = s_coords[:, 1]; edge_y[1::3] = t_coords[:, 1] fig.add_trace(go.Scattergl( x=edge_x, y=edge_y, mode='lines', line=dict(width=0.5 + b*1.5, color=px.colors.sample_colorscale("Viridis", b/(n_bins-1))[0]), name=f"Level {b+1}", hoverinfo='none' )) fig.update_layout( title="Cell-Cell Metabolic Communication Strengths", xaxis=dict(visible=False), yaxis=dict(visible=False, scaleanchor="x"), plot_bgcolor='#fcfcfc', width=850, height=850, legend=dict(title="Score Bin:", orientation="v", x=1.02, y=1) ) return fig