thank god for unit tests

feos-org · prehner · Jun 20, 2025 · Apr 25, 2025 · Apr 30, 2025 · Apr 30, 2025
commit d501f13df314260c758760541dd5f5809c4de1b2
diff --git a/crates/feos-core/src/parameter/mod.rs b/crates/feos-core/src/parameter/mod.rs
@@ -50,7 +50,7 @@ where
         pure_records: Vec<PureRecord<Self::Pure>>,
         binary_record: Option<Self::Binary>,
     ) -> FeosResult<Self> {
-        let binary_record = binary_record.into_iter().map(|r| ([0, 0], r)).collect();
+        let binary_record = binary_record.into_iter().map(|r| ([0, 1], r)).collect();
         Self::from_records(pure_records, binary_record)
     }
 

diff --git a/crates/feos/src/epcsaft/parameters.rs b/crates/feos/src/epcsaft/parameters.rs
@@ -209,24 +209,6 @@ impl ElectrolytePcSaftBinaryRecord {
     }
 }
 
-impl From<f64> for ElectrolytePcSaftBinaryRecord {
-    fn from(k_ij: f64) -> Self {
-        Self {
-            k_ij: vec![k_ij, 0., 0., 0.],
-            association: None,
-        }
-    }
-}
-
-impl From<Vec<f64>> for ElectrolytePcSaftBinaryRecord {
-    fn from(k_ij: Vec<f64>) -> Self {
-        Self {
-            k_ij,
-            association: None,
-        }
-    }
-}
-
 impl From<ElectrolytePcSaftBinaryRecord> for f64 {
     fn from(binary_record: ElectrolytePcSaftBinaryRecord) -> Self {
         match binary_record.k_ij.first() {

diff --git a/crates/feos/src/saftvrmie/parameters.rs b/crates/feos/src/saftvrmie/parameters.rs
@@ -177,22 +177,6 @@ impl SaftVRMieBinaryRecord {
     }
 }
 
-impl From<f64> for SaftVRMieBinaryRecord {
-    fn from(k_ij: f64) -> Self {
-        Self {
-            k_ij,
-            gamma_ij: f64::default(),
-            association: None,
-        }
-    }
-}
-
-impl From<SaftVRMieBinaryRecord> for f64 {
-    fn from(binary_record: SaftVRMieBinaryRecord) -> Self {
-        binary_record.k_ij
-    }
-}
-
 impl std::fmt::Display for SaftVRMieBinaryRecord {
     fn fmt(&self, f: &mut std::fmt::Formatter<'_>) -> std::fmt::Result {
         let mut tokens = vec![];

diff --git a/crates/feos/src/saftvrqmie/parameters.rs b/crates/feos/src/saftvrqmie/parameters.rs
@@ -109,26 +109,6 @@ impl std::fmt::Display for SaftVRQMieBinaryRecord {
     }
 }
 
-impl TryFrom<f64> for SaftVRQMieBinaryRecord {
-    type Error = FeosError;
-
-    fn try_from(_f: f64) -> Result<Self, Self::Error> {
-        Err(FeosError::IncompatibleParameters(
-            "Cannot infer k_ij and l_ij from single float.".to_string(),
-        ))
-    }
-}
-
-impl TryFrom<SaftVRQMieBinaryRecord> for f64 {
-    type Error = FeosError;
-
-    fn try_from(_f: SaftVRQMieBinaryRecord) -> Result<Self, Self::Error> {
-        Err(FeosError::IncompatibleParameters(
-            "Cannot infer k_ij and l_ij from single float.".to_string(),
-        ))
-    }
-}
-
 /// Parameter set required for the SAFT-VRQ Mie equation of state and Helmholtz energy functional.
 pub struct SaftVRQMieParameters {
     pub molarweight: Array1<f64>,