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cleanup
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prehner committed Dec 17, 2024
1 parent ce5d89f commit 78af0a0
Showing 1 changed file with 6 additions and 31 deletions.
37 changes: 6 additions & 31 deletions src/pcsaft/parameters.rs
Original file line number Diff line number Diff line change
@@ -248,18 +248,12 @@ impl PcSaftRecord {
diffusion: Option<[f64; 5]>,
thermal_conductivity: Option<[f64; 4]>,
) -> PcSaftRecord {
let association_record =
// if let (Some(kappa_ab), Some(epsilon_k_ab)) = (kappa_ab, epsilon_k_ab) {
Some(AssociationRecord::new(
PcSaftAssociationRecord::new(kappa_ab, epsilon_k_ab),
na.unwrap_or_default(),
nb.unwrap_or_default(),
nc.unwrap_or_default(),
))
// } else {
// None
// };
;
let association_record = Some(AssociationRecord::new(
PcSaftAssociationRecord::new(kappa_ab, epsilon_k_ab),
na.unwrap_or_default(),
nb.unwrap_or_default(),
nc.unwrap_or_default(),
));
Self {
m,
sigma,
@@ -379,25 +373,6 @@ impl std::fmt::Display for PcSaftBinaryRecord {
}
}

// #[derive(Serialize, Deserialize, Clone, Copy, Default)]
// pub struct PcSaftBinaryAssociationRecord {
// /// Cross-association association volume parameter.
// #[serde(skip_serializing_if = "Option::is_none")]
// pub kappa_ab: Option<f64>,
// /// Cross-association energy parameter.
// #[serde(skip_serializing_if = "Option::is_none")]
// pub epsilon_k_ab: Option<f64>,
// }

// impl PcSaftBinaryAssociationRecord {
// pub fn new(kappa_ab: Option<f64>, epsilon_k_ab: Option<f64>) -> Self {
// Self {
// kappa_ab,
// epsilon_k_ab,
// }
// }
// }

/// Parameter set required for the PC-SAFT equation of state and Helmholtz energy functional.
pub struct PcSaftParameters {
pub molarweight: Array1<f64>,

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