resetting error logs

app.py

@@ -26,6 +26,7 @@ from cluster.clustering import *
 from StructureFingerprint import MorganFingerprint
 
 import psutil
+import gc
 
 
 disable_progress_bars("huggingface_hub")
@@ -266,32 +267,67 @@ if submit_planning:
         #     results = cluster_molecules(reduced_super_cgrs_dict, mfp, max_clusters=num_clusters)
         cluster_box, z = st.columns(2, gap="medium")
         with cluster_box:
-            st.write(f"Current memory usage: {psutil.Process().memory_info().rss / 1024 / 1024:.2f} MB")
+            # Initialize session state if not exists
+            if 'memory_warning_shown' not in st.session_state:
+                st.session_state.memory_warning_shown = False
+            
+            current_memory = psutil.Process().memory_info().rss / 1024 / 1024
+            st.write(f"Current memory usage: {current_memory:.2f} MB")
             st.write(f"Number of winning nodes: {len(tree.winning_nodes)}")
-            num_clusters = st.slider('Number of clusters to display', min_value=2, max_value=10, value=2)
+            
+            # Memory warning
+            if current_memory > 1000 and not st.session_state.memory_warning_shown:
+                st.warning("Memory usage is high. Consider reducing the number of routes or clearing cache.")
+                st.session_state.memory_warning_shown = True
+            
+            # Store the previous value in session state
+            if 'prev_num_clusters' not in st.session_state:
+                st.session_state.prev_num_clusters = 2
+            
+            num_clusters = st.slider(
+                'Number of clusters to display', 
+                min_value=2, 
+                max_value=min(10, len(tree.winning_nodes)), 
+                value=st.session_state.prev_num_clusters
+            )
+            
+            # Update the stored value only if it changed
+            if num_clusters != st.session_state.prev_num_clusters:
+                st.session_state.prev_num_clusters = num_clusters
 
         submit_clustering = st.button('Start clustering')
 
         if submit_clustering:
             try:
-                st.write("Starting clustering process...")
-                st.write(f"Memory before clustering: {psutil.Process().memory_info().rss / 1024 / 1024:.2f} MB")
-                
-                super_cgrs_dict = reassign_nums(tree)
-                st.write("Reassign nums completed")
-                
-                reduced_super_cgrs_dict = process_all_rs_cgrs(super_cgrs_dict)
-                st.write("Process RS CGRs completed")
-                
-                st.write(f"Memory after CGR processing: {psutil.Process().memory_info().rss / 1024 / 1024:.2f} MB")
-                
-                mfp = MorganFingerprint()
-                results = cluster_molecules(reduced_super_cgrs_dict, mfp, max_clusters=num_clusters)
-                st.write("Clustering completed")
-                
+                with st.spinner("Processing clusters..."):
+                    # Clear memory before starting
+                    gc.collect()
+                    
+                    st.write("Starting clustering process...")
+                    memory_before = psutil.Process().memory_info().rss / 1024 / 1024
+                    st.write(f"Memory before clustering: {memory_before:.2f} MB")
+                    
+                    super_cgrs_dict = reassign_nums(tree)
+                    del tree  # Free up memory from the tree object since we don't need it anymore
+                    gc.collect()
+                    
+                    reduced_super_cgrs_dict = process_all_rs_cgrs(super_cgrs_dict)
+                    del super_cgrs_dict  # Free up memory
+                    gc.collect()
+                    
+                    memory_after = psutil.Process().memory_info().rss / 1024 / 1024
+                    st.write(f"Memory after CGR processing: {memory_after:.2f} MB")
+                    
+                    mfp = MorganFingerprint()
+                    results = cluster_molecules(reduced_super_cgrs_dict, mfp, max_clusters=num_clusters)
+                    del reduced_super_cgrs_dict  # Free up memory
+                    gc.collect()
+                    
+                    st.write("Clustering completed")
+                    
             except Exception as e:
                 st.error(f"Clustering failed with error: {str(e)}")
-                st.write(f"Tree state valid: {hasattr(tree, 'winning_nodes')}")
+                st.write(f"Memory at error: {psutil.Process().memory_info().rss / 1024 / 1024:.2f} MB")
                 raise e
             # Access results
             clusters = results['clusters_dict']