diff --git a/src/cli/workflows/query_pdb.rs b/src/cli/workflows/query_pdb.rs index 46d54d5..2973d9a 100644 --- a/src/cli/workflows/query_pdb.rs +++ b/src/cli/workflows/query_pdb.rs @@ -123,12 +123,16 @@ pub fn query_pdb(env: AppArgs) { &log_msg(FAIL, &format!("Failed to read structure from PDB file: {}", &pdb_path)) ).to_compact(); let query_residues = parse_query_string(&query_string, query_structure.chains[0]); + let residue_count = if query_residues.is_empty() { + query_structure.num_residues + } else { + query_residues.len() + }; drop(query_structure); drop(pdb_file); // Get query map for each query in all indices let mut queried_from_indices: Vec<(usize, QueryResult)> = loaded_index_vec.par_iter().map( |(offset_table, lookup, config, value_path)| { - let residue_count = query_residues.len(); let hash_type = config.hash_type; let num_bin_dist = config.num_bin_dist; let num_bin_angle = config.num_bin_angle; @@ -228,8 +232,7 @@ pub fn query_pdb(env: AppArgs) { ); let mut writer = std::io::BufWriter::new(file); for (_k, v) in queried_from_indices.iter() { - writer.write_all(format!("{:?}\t{}\t{}\n", v, query_string, index_path.clone().unwrap() - ).as_bytes()).expect( + writer.write_all(format!("{:?}\t{}\t{}\n", v, query_string, index_path.clone().unwrap()).as_bytes()).expect( &log_msg(FAIL, &format!("Failed to write to file: {}", &output_path)) ); }