Fitting Functions

fit()

The primary estimation entry point. Runs FOCE, FOCEI, or SAEM depending on options.method.

#![allow(unused)]
fn main() {
pub fn fit(
    model: &CompiledModel,
    population: &Population,
    init_params: &ModelParameters,
    options: &FitOptions,
) -> Result<FitResult, String>
}

Parameters:

• model: Compiled model from parse_model_file() or parse_full_model_file()
• population: Population data from read_nonmem_csv()
• init_params: Initial parameter values
• options: Estimation configuration

Returns: FitResult with parameter estimates, standard errors, and per-subject diagnostics.

Example:

#![allow(unused)]
fn main() {
let model = parse_model_file(Path::new("model.ferx"))?;
let population = read_nonmem_csv(Path::new("data.csv"), None)?;
let options = FitOptions::default();

let result = fit(&model, &population, &model.default_params, &options)?;
println!("OFV: {:.4}", result.ofv);
}

fit_from_files()

Convenience wrapper that handles parsing and data reading.

#![allow(unused)]
fn main() {
pub fn fit_from_files(
    model_path: &str,
    data_path: &str,
    covariate_columns: Option<&[&str]>,
    options: Option<FitOptions>,
) -> Result<FitResult, String>
}

Example:

#![allow(unused)]
fn main() {
let result = fit_from_files(
    "model.ferx",
    "data.csv",
    None,          // Auto-detect covariates
    None,          // Default options
)?;
}

run_model_with_data()

Full pipeline: parse model file, read data, fit. Returns both the fit result and the population.

#![allow(unused)]
fn main() {
pub fn run_model_with_data(
    model_path: &str,
    data_path: &str,
) -> Result<(FitResult, Population), String>
}

Uses the [fit_options] from the model file.

run_model_simulate()

Simulation-estimation: parse model, generate data from [simulation] block, fit.

#![allow(unused)]
fn main() {
pub fn run_model_simulate(
    model_path: &str,
) -> Result<(FitResult, Population), String>
}

Requires a [simulation] block in the model file.

build_fit_inputs()

Extract initial parameters and fit options from a parsed model, separating parsing from estimation for timing purposes.

#![allow(unused)]
fn main() {
pub fn build_fit_inputs(
    parsed: &ParsedModel,
) -> Result<(ModelParameters, FitOptions), String>
}

Example:

#![allow(unused)]
fn main() {
let parsed = parse_full_model_file(Path::new("model.ferx"))?;
let (init_params, options) = build_fit_inputs(&parsed)?;

let population = read_nonmem_csv(Path::new("data.csv"), None)?;
let result = fit(&parsed.model, &population, &init_params, &options)?;
}