Struct SettingsManager 

pub struct SettingsManager {
    settings: Settings,
    config_source: String,
}

Configuration manager that handles loading and accessing program settings.

Fields

settings: Settings

config_source: String

Implementations

impl SettingsManager

pub fn load() -> Result<Self, ConfigError>

Loads configuration from available configuration files.

Searches for configuration files in the following order:

1. ./omecp_config.cfg (current working directory)
2. ~/.config/omecp/omecp_config.cfg (user configuration)
3. /etc/omecp/omecp_config.cfg (system configuration)
4. Built-in defaults (fallback)

Returns

Returns a Result containing:

• Ok(SettingsManager) - Successfully loaded configuration
• Err(ConfigError) - Configuration loading failed

Examples

use omecp::settings::SettingsManager;

let settings = SettingsManager::load()?;
println!("Configuration loaded from: {}", settings.config_source());

pub fn config_source(&self) -> &str

Returns the source of the loaded configuration.

pub fn settings(&self) -> &Settings

Gets a reference to the settings.

Returns

Returns a reference to the internal Settings struct

pub fn get_output_extension(&self, program: QMProgram) -> &str

Gets the output file extension for the specified QM program.

Arguments

• program - The quantum chemistry program

Returns

The file extension (without the dot) as a string slice

Examples

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

let settings = SettingsManager::load()?;
let extension = settings.get_output_extension(QMProgram::Orca);
assert_eq!(extension, "out");

pub fn general(&self) -> &GeneralSettings

Gets the general settings.

pub fn general_mut(&mut self) -> &mut GeneralSettings

Gets mutable general settings.

pub fn logging(&self) -> &LoggingSettings

Gets the logging settings.

pub fn extensions(&self) -> &ExtensionSettings

Gets the extension settings.

pub fn cleanup(&self) -> &CleanupSettings

Gets the cleanup settings.

fn load_from_files() -> Result<(Settings, String), ConfigError>

Loads configuration from files with hierarchical precedence.

fn load_config(path: &Path) -> Result<Settings, ConfigError>

Loads configuration from a single INI file.

fn parse_extensions( section: &HashMap<String, Option<String>>, ) -> Result<ExtensionSettings, ConfigError>

Parses the extensions section from INI configuration.

fn parse_general( section: &HashMap<String, Option<String>>, ) -> Result<GeneralSettings, ConfigError>

Parses the general section from INI configuration.

fn parse_logging( section: &HashMap<String, Option<String>>, ) -> Result<LoggingSettings, ConfigError>

Parses the logging section from INI configuration.

fn parse_cleanup( section: &HashMap<String, Option<String>>, ) -> Result<CleanupSettings, ConfigError>

Parses the cleanup section from INI configuration.

fn get_system_config_path() -> Option<PathBuf>

Gets the system configuration file path.

fn get_user_config_path() -> Option<PathBuf>

Gets the user configuration file path.

impl SettingsManager

pub fn create_template(path: &Path) -> Result<(), ConfigError>

Creates a default omecp_config.cfg file with all available configuration options.

This function generates a comprehensive configuration file template with:

• All available configuration sections and parameters
• Default values for each parameter
• Detailed comments explaining each option
• Examples of common customizations

Arguments

• path - Path where the omecp_config.cfg file should be created

Returns

Returns a Result indicating success or failure of file creation

Examples

use omecp::settings::SettingsManager;
use std::path::Path;

SettingsManager::create_template(Path::new("omecp_config.cfg"))?;

fn generate_template_content() -> String

Generates the content for a omecp_config.cfg template file.