Upload example_data_loader.py

example_data_loader.py

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+"""
+Example Data Loader for RNA Motif Comparison Tool
+Provides functionality to load example PDB files from data folder
+"""
+
+import os
+from pathlib import Path
+import streamlit as st
+
+def get_example_pdbs(data_folder="data"):
+    """
+    Get list of example PDB files from the data folder.
+    
+    Args:
+        data_folder: Path to folder containing example PDB files
+        
+    Returns:
+        Dictionary with filename as key and full path as value
+    """
+    examples = {}
+    
+    if not os.path.exists(data_folder):
+        return examples
+    
+    # Get all PDB files in the data folder
+    data_path = Path(data_folder)
+    for pdb_file in data_path.glob("*.pdb"):
+        examples[pdb_file.name] = str(pdb_file)
+    
+    # Also check for uppercase .PDB extension
+    for pdb_file in data_path.glob("*.PDB"):
+        examples[pdb_file.name] = str(pdb_file)
+    
+    return examples
+
+
+def create_example_selector(data_folder="data"):
+    """
+    Create a Streamlit interface for selecting example PDB files.
+    
+    Args:
+        data_folder: Path to folder containing example PDB files
+        
+    Returns:
+        List of selected file paths
+    """
+    examples = get_example_pdbs(data_folder)
+    
+    if not examples:
+        st.warning(f"⚠️ No example PDB files found in '{data_folder}/' folder")
+        return []
+    
+    st.info(f"📁 Found {len(examples)} example PDB files in '{data_folder}/' folder")
+    
+    # Create multiselect for choosing examples
+    selected_names = st.multiselect(
+        "Select example PDB files to load",
+        options=sorted(examples.keys()),
+        help="Choose one or more example structures"
+    )
+    
+    # Return full paths of selected files
+    selected_paths = [examples[name] for name in selected_names]
+    
+    if selected_paths:
+        st.success(f"✅ Selected {len(selected_paths)} example file(s)")
+    
+    return selected_paths
+
+
+def load_example_as_uploaded_file(file_path):
+    """
+    Load a PDB file and convert it to a format similar to Streamlit's UploadedFile.
+    
+    Args:
+        file_path: Path to the PDB file
+        
+    Returns:
+        File-like object with name and getbuffer() method
+    """
+    class MockUploadedFile:
+        def __init__(self, path):
+            self.name = os.path.basename(path)
+            self.path = path
+            with open(path, 'rb') as f:
+                self._content = f.read()
+        
+        def getbuffer(self):
+            return self._content
+        
+        def read(self):
+            return self._content
+    
+    return MockUploadedFile(file_path)
+
+
+def get_example_info(data_folder="data"):
+    """
+    Get information about example PDB files.
+    
+    Args:
+        data_folder: Path to folder containing example PDB files
+        
+    Returns:
+        Dictionary with file info
+    """
+    examples = get_example_pdbs(data_folder)
+    info = {}
+    
+    for name, path in examples.items():
+        try:
+            with open(path, 'r') as f:
+                lines = f.readlines()
+            
+            # Count atoms/residues
+            atom_count = sum(1 for line in lines if line.startswith('ATOM') or line.startswith('HETATM'))
+            
+            # Get header info if available
+            header = ""
+            for line in lines:
+                if line.startswith('HEADER'):
+                    header = line[10:].strip()
+                    break
+            
+            info[name] = {
+                'path': path,
+                'atoms': atom_count,
+                'header': header,
+                'lines': len(lines)
+            }
+        except Exception as e:
+            info[name] = {
+                'path': path,
+                'error': str(e)
+            }
+    
+    return info