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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 | |