Module naming 

Dynamic file naming based on input file basename Dynamic file naming based on input file basename

This module provides a centralized system for generating file names dynamically based on the input file basename. This allows multiple jobs to run in the same directory without file conflicts.

Example

use std::path::Path;
use omecp::naming::FileNaming;

let input_path = Path::new("compound_xyz_123.input");
let naming = FileNaming::new(input_path);

// Generate dynamic file names
assert_eq!(naming.state_a_chk(), "compound_xyz_123_state_A.chk");
assert_eq!(naming.pre_a("job_dir", "inp"), "job_dir/compound_xyz_123_pre_A.inp");
assert_eq!(naming.step_state_a("job_dir", 5, "gjf"), "job_dir/compound_xyz_123_5_state_A.gjf");

Structs

FileNaming

Manages dynamic file naming based on input file basename