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#![allow(dead_code)]
use pharmsol::prelude::data::ErrorType;
use config::Config as eConfig;
use serde::Deserialize;
use serde_derive::Serialize;
use serde_json;
use std::collections::HashMap;
/// Contains all settings for PMcore
#[derive(Debug, Deserialize, Clone, Serialize)]
#[serde(deny_unknown_fields)]
pub struct Settings {
/// Paths to the data, log and prior files
pub paths: Paths,
/// General configuration settings
pub config: Config,
/// Random parameters to be estimated
pub random: Random,
/// Parameters which are estimated, but fixed for the population
pub fixed: Option<Fixed>,
/// Parameters which are held constant
pub constant: Option<Constant>,
/// Defines the error model and polynomial to be used
pub error: Error,
}
/// This struct contains the paths to the data, log and prior files.
#[derive(Debug, Deserialize, Clone, Serialize)]
#[serde(deny_unknown_fields)]
pub struct Paths {
/// Path to the data file, see `datafile::parse` for details.
pub data: String,
/// If provided, the log file will be written to this path.
pub log: Option<String>,
/// If provided, PMcore will use this prior instead of a "uniform" prior, see `sobol::generate` for details.
pub prior: Option<String>,
/// If provided, and [Config::output] is true, PMcore will write the output to this **relative** path. Defaults to `outputs/`
#[serde(default = "default_output_folder")]
pub output_folder: Option<String>,
}
/// General configuration settings
#[derive(Debug, Deserialize, Clone, Serialize)]
#[serde(deny_unknown_fields)]
pub struct Config {
/// Maximum number of cycles
#[serde(default = "default_cycles")]
pub cycles: usize,
/// Denotes the algorithm to use, `NPAG` is the only supported algorithm for now.
pub engine: String,
#[serde(default = "default_seed")]
/// Default seed for the initialization
pub seed: usize,
/// Default number of points in the initial grid
#[serde(default = "default_10k")]
pub init_points: usize,
#[serde(default = "default_false")]
pub tui: bool,
/// If true (default), write outputs to files. Output path is set with [Paths::output_folder]
#[serde(default = "default_true")]
pub output: bool,
/// If true (default), cache predicted values
#[serde(default = "default_true")]
pub cache: bool,
/// The interval (in hours) at which to generate output predictions
#[serde(default = "default_idelta")]
pub idelta: f64,
/// Maximum log level for the logger
#[serde(default = "default_log_level")]
pub log_level: String,
/// Vector if IDs to exclude
pub exclude: Option<Vec<String>>,
/// Generate predictions at [Config::idelta] intervals to this many hours after the last dose
#[serde(default = "default_tad")]
pub tad: f64,
#[serde(default = "default_sampler")]
pub sampler: Option<String>,
}
/// Random parameters to be estimated
///
/// This struct contains the random parameters to be estimated. The parameters are specified as a hashmap, where the key is the name of the parameter, and the value is a tuple containing the upper and lower bounds of the parameter.
///
/// # Example
///
/// ```toml
/// [random]
/// alpha = [0.0, 1.0]
/// beta = [0.0, 1.0]
/// ```
#[derive(Debug, Deserialize, Clone, Serialize)]
pub struct Random {
#[serde(flatten)]
pub parameters: HashMap<String, (f64, f64)>,
}
impl Random {
/// Get the upper and lower bounds of a random parameter from its key
pub fn get(&self, key: &str) -> Option<&(f64, f64)> {
self.parameters.get(key)
}
/// Returns a vector of tuples containing the names and ranges of the random parameters
pub fn names_and_ranges(&self) -> Vec<(String, (f64, f64))> {
let mut pairs: Vec<(String, (f64, f64))> = self
.parameters
.iter()
.map(|(key, &(upper, lower))| (key.clone(), (upper, lower)))
.collect();
// Sorting alphabetically by name
pairs.sort_by(|a, b| a.0.cmp(&b.0));
pairs
}
/// Returns a vector of the names of the random parameters
pub fn names(&self) -> Vec<String> {
self.names_and_ranges()
.into_iter()
.map(|(name, _)| name)
.collect()
}
/// Returns a vector of the upper and lower bounds of the random parameters
pub fn ranges(&self) -> Vec<(f64, f64)> {
self.names_and_ranges()
.into_iter()
.map(|(_, range)| range)
.collect()
}
/// Validate the boundaries of the random parameters
pub fn validate(&self) -> Result<(), String> {
for (key, &(lower, upper)) in &self.parameters {
if lower >= upper {
return Err(format!(
"In key '{}', lower bound ({}) is not less than upper bound ({})",
key, lower, upper
));
}
}
Ok(())
}
}
/// Parameters which are estimated, but fixed for the population
#[derive(Debug, Deserialize, Clone, Serialize)]
pub struct Fixed {
#[serde(flatten)]
pub parameters: HashMap<String, f64>,
}
/// Parameters which are held constant
#[derive(Debug, Deserialize, Clone, Serialize)]
pub struct Constant {
#[serde(flatten)]
pub parameters: HashMap<String, f64>,
}
/// Defines the error model and polynomial to be used
#[derive(Debug, Deserialize, Clone, Serialize)]
#[serde(deny_unknown_fields)]
pub struct Error {
pub value: f64,
pub class: String,
pub poly: (f64, f64, f64, f64),
}
impl Error {
pub fn validate(&self) -> Result<(), String> {
if self.value < 0.0 {
return Err(format!(
"Error value must be non-negative, got {}",
self.value
));
}
_ = self.error_type();
Ok(())
}
pub fn error_type(&self) -> ErrorType {
match self.class.to_lowercase().as_str() {
"additive" | "l" | "lambda" => ErrorType::Add,
"proportional" | "g" | "gamma" => ErrorType::Prop,
_ => panic!("Error class '{}' not supported. Possible classes are 'gamma' (proportional) or 'lambda' (additive)", self.class),
}
}
}
/// Parses the settings from a TOML configuration file
///
/// This function parses the settings from a TOML configuration file. The settings are validated, and a copy of the settings is written to file.
///
/// Entries in the TOML file may be overridden by environment variables. The environment variables must be prefixed with `PMCORE__`, and the TOML entry must be in uppercase. For example, the TUI may be disabled by setting the environment variable `PMCORE__CONFIG__TUI=false` Note that a double underscore, `__`, is used as the separator, as some settings may contain a single underscore, such as `PMCORE__CONFIG__LOG_LEVEL`.
pub fn read_settings(path: String) -> Result<Settings, config::ConfigError> {
let settings_path = path;
let parsed = eConfig::builder()
.add_source(config::File::with_name(&settings_path).format(config::FileFormat::Toml))
.add_source(config::Environment::with_prefix("PMCORE").separator("__"))
.build()?;
// Deserialize settings to the Settings struct
let settings: Settings = parsed.try_deserialize()?;
// Validate entries
settings
.random
.validate()
.map_err(config::ConfigError::Message)?;
settings
.error
.validate()
.map_err(config::ConfigError::Message)?;
// Write a copy of the settings to file if output is enabled
if settings.config.output {
if let Err(error) = write_settings_to_file(&settings) {
eprintln!("Could not write settings to file: {}", error);
}
}
Ok(settings) // Return the settings wrapped in Ok
}
/// Writes a copy of the parsed settings to file
///
/// This function writes a copy of the parsed settings to file. The file is written to the current working directory, and is named `settings.json`.
pub fn write_settings_to_file(settings: &Settings) -> Result<(), std::io::Error> {
let serialized = serde_json::to_string_pretty(settings)
.map_err(|e| std::io::Error::new(std::io::ErrorKind::Other, e))?;
let mut file = crate::routines::output::create_output_file(settings, "settings.json")?;
std::io::Write::write_all(&mut file, serialized.as_bytes())?;
Ok(())
}
// *********************************
// Default values for deserializing
// *********************************
fn default_true() -> bool {
true
}
fn default_false() -> bool {
false
}
fn default_log_level() -> String {
"info".to_string()
}
fn default_seed() -> usize {
347
}
fn default_idelta() -> f64 {
0.0 //0.12
}
fn default_tad() -> f64 {
0.0
}
fn default_10k() -> usize {
10_000
}
fn default_cycles() -> usize {
100
}
fn default_output_folder() -> Option<String> {
Some("outputs/".to_string())
}
fn default_sampler() -> Option<String> {
Some("sobol".to_string())
}