Introduce PyParameters and PyGcParameters to get rid of the impl_para…

…meters macros
feos-org · prehner · Apr 7, 2025 · Feb 13, 2025 · Feb 13, 2025 · Feb 13, 2025
commit 52725dadf136b80a7a7e63d140572c208f115773
diff --git a/feos-core/Cargo.toml b/feos-core/Cargo.toml
@@ -43,6 +43,7 @@ typenum = "1.16"
 approx = "0.5"
 regex = "1.9"
 pythonize = "0.23.0"
+itertools = "0.14"
 
 [features]
 default = []

diff --git a/feos-core/src/parameter/identifier.rs b/feos-core/src/parameter/identifier.rs
@@ -1,4 +1,5 @@
 use serde::{Deserialize, Serialize};
+use std::fmt;
 use std::hash::{Hash, Hasher};
 
 /// Possible variants to identify a substance.
@@ -13,6 +14,20 @@ pub enum IdentifierOption {
     Formula,
 }
 
+impl fmt::Display for IdentifierOption {
+    fn fmt(&self, f: &mut fmt::Formatter<'_>) -> fmt::Result {
+        let str = match self {
+            IdentifierOption::Cas => "CAS",
+            IdentifierOption::Name => "name",
+            IdentifierOption::IupacName => "IUPAC name",
+            IdentifierOption::Smiles => "SMILES",
+            IdentifierOption::Inchi => "InChI",
+            IdentifierOption::Formula => "formula",
+        };
+        write!(f, "{}", str)
+    }
+}
+
 /// A collection of identifiers for a chemical structure or substance.
 #[cfg_attr(feature = "python", pyo3::pyclass(get_all, set_all))]
 #[derive(Serialize, Deserialize, Debug, Clone, Default)]

diff --git a/feos-core/src/python/cubic.rs b/feos-core/src/python/cubic.rs
diff --git a/feos-core/src/python/mod.rs b/feos-core/src/python/mod.rs
@@ -2,7 +2,6 @@ use crate::EosError;
 use pyo3::exceptions::PyRuntimeError;
 use pyo3::prelude::*;
 
-pub mod cubic;
 mod equation_of_state;
 pub mod parameter;
 mod phase_equilibria;