use approx::assert_relative_eq;

use feos::gc_pcsaft::{GcPcSaft, GcPcSaftEosParameters};

#[cfg(feature = "dft")]

use feos::gc_pcsaft::{GcPcSaftFunctional, GcPcSaftFunctionalParameters};

use feos_core::parameter::{IdentifierOption, ParameterHetero};

use feos_core::{Contributions, EosResult, State};

use ndarray::arr1;

use quantity::si::{KELVIN, METER, MOL};

use std::sync::Arc;

#[test]

fn test_binary() -> EosResult<()> {

let parameters = GcPcSaftEosParameters::from_json_segments(

&["ethanol", "methanol"],

"parameters/pcsaft/gc_substances.json",

"parameters/pcsaft/sauer2014_hetero.json",

None,

IdentifierOption::Name,

)

.unwrap();

#[cfg(feature = "dft")]

let parameters_func = GcPcSaftFunctionalParameters::from_json_segments(

&["ethanol", "methanol"],

"parameters/pcsaft/gc_substances.json",

"parameters/pcsaft/sauer2014_hetero.json",

None,

IdentifierOption::Name,

)

.unwrap();

let eos = Arc::new(GcPcSaft::new(Arc::new(parameters)));

#[cfg(feature = "dft")]

let func = Arc::new(GcPcSaftFunctional::new(Arc::new(parameters_func)));

let moles = arr1(&[0.5, 0.5]) * MOL;

let cp = State::critical_point(&eos, Some(&moles), None, Default::default())?;

#[cfg(feature = "dft")]

let cp_func = State::critical_point(&func, Some(&moles), None, Default::default())?;

println!("{}", cp.temperature);

#[cfg(feature = "dft")]

println!("{}", cp_func.temperature);

assert_relative_eq!(

cp.temperature,

536.4129479522177 * KELVIN,

max_relative = 1e-14

);

#[cfg(feature = "dft")]

assert_relative_eq!(

cp_func.temperature,

536.4129479522177 * KELVIN,

max_relative = 1e-14

);

Ok(())

}

#[test]

fn test_polar_term() -> EosResult<()> {

let parameters1 = GcPcSaftEosParameters::from_json_segments(

&["CCCOC(C)=O", "CCCO"],

"parameters/pcsaft/gc_substances.json",

"parameters/pcsaft/sauer2014_hetero.json",

None,

IdentifierOption::Smiles,

)?;

let parameters2 = GcPcSaftEosParameters::from_json_segments(

&["CCCO", "CCCOC(C)=O"],

"parameters/pcsaft/gc_substances.json",

"parameters/pcsaft/sauer2014_hetero.json",

None,

IdentifierOption::Smiles,

)?;

let eos1 = Arc::new(GcPcSaft::new(Arc::new(parameters1)));

let eos2 = Arc::new(GcPcSaft::new(Arc::new(parameters2)));

let moles = arr1(&[0.5, 0.5]) * MOL;

let p1 = State::new_nvt(&eos1, 300.0 * KELVIN, METER.powi(3), &moles)?

.pressure(Contributions::Total);

let p2 = State::new_nvt(&eos2, 300.0 * KELVIN, METER.powi(3), &moles)?

.pressure(Contributions::Total);

println!("{p1} {p2}");

assert_eq!(p1, p2);

Ok(())

}