Module settings 

Configuration management system Configuration management for OpenMECP.

This module provides a flexible configuration system that allows users to customize program behavior through INI-format configuration files. The system supports hierarchical configuration with the following precedence:

1. Local configuration (./omecp_config.cfg)
2. User configuration (~/.config/omecp/omecp_config.cfg)
3. System configuration (/etc/omecp/omecp_config.cfg)
4. Built-in defaults

Configuration File Format

The configuration uses INI format with sections for different types of settings:

[extensions]
gaussian = log
orca = out
xtb = out
bagel = json
custom = log

[general]
max_memory = 4GB
default_nprocs = 4

[logging]
level = info
file_logging = false

Usage

use omecp::settings::SettingsManager;
use omecp::config::QMProgram;

let settings = SettingsManager::load()?;
let extension = settings.get_output_extension(QMProgram::Orca);
println!("ORCA output extension: {}", extension);

Structs

CleanupSettings

Cleanup configuration settings.

ExtensionSettings

File extension settings for different quantum chemistry programs.

GeneralSettings

General program settings.

LoggingSettings

Logging configuration settings.

Settings

Main configuration structure containing all program settings.

SettingsManager

Configuration manager that handles loading and accessing program settings.

Enums

ConfigError

Errors that can occur during configuration loading and processing.