Fix ideal gas contribution for EquationOfState (#17)

prehner · web-flow · commit a9a6d2b20fc3 · 2022-05-13T16:24:02.000+02:00
diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -6,6 +6,10 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ## [Unreleased]
 
+## [0.2.1] - 2022-05-13
+### Fixed
+- Fixed a bug due to which the default ideal gas contribution was used for every equation of state. [#17](https://github.com/feos-org/feos/pull/17)
+
 ## [0.2.0] - 2022-05-10
 ### Added
 - Added [gc-PC-SAFT](https://github.com/feos-org/feos-gc-pcsaft) equation of state and Helmholtz energy functional.
diff --git a/Cargo.lock b/Cargo.lock
diff --git a/Cargo.toml b/Cargo.toml
@@ -1,6 +1,6 @@
 [package]
 name = "feos"
-version = "0.2.0"
+version = "0.2.1"
 authors = ["Gernot Bauer <bauer@itt.uni-stuttgart.de>", "Philipp Rehner <prehner@ethz.ch>"]
 edition = "2018"
 rust-version = "1.53"
diff --git a/README.md b/README.md
@@ -35,7 +35,7 @@ The following models are currently published as part of the `FeOs` framework
 |[`feos-pets`](https://github.com/feos-org/feos-pets)|perturbed truncated and shifted Lennard-Jones mixtures|✓|✓|
 |[`feos-uvtheory`](https://github.com/feos-org/feos-uvtheory)|equation of state for Mie fluids and mixtures|✓||
 
-The list is being expanded continuously. Currently under development are implementations of ePC-SAFT, a Helmholtz energy functional for the UV theory, SAFT-VRQ-Mie.
+The list is being expanded continuously. Currently under development are implementations of ePC-SAFT, a Helmholtz energy functional for the UV theory, and SAFT-VRQ-Mie.
 
 Other public repositories that implement models within the `FeOs` framework, but are currently not part of the `feos` Python package, are
 
diff --git a/src/eos.rs b/src/eos.rs
@@ -75,6 +75,17 @@ impl EquationOfState for EosVariant {
             EosVariant::UVTheory(eos) => eos.residual(),
         }
     }
+
+    fn ideal_gas(&self) -> &dyn IdealGasContribution {
+        match self {
+            EosVariant::PcSaft(eos) => eos.ideal_gas(),
+            EosVariant::GcPcSaft(eos) => eos.ideal_gas(),
+            EosVariant::PengRobinson(eos) => eos.ideal_gas(),
+            EosVariant::Python(eos) => eos.ideal_gas(),
+            EosVariant::Pets(eos) => eos.ideal_gas(),
+            EosVariant::UVTheory(eos) => eos.ideal_gas(),
+        }
+    }
 }
 
 impl MolarWeight<SIUnit> for EosVariant {

Original file line number	Diff line number	Diff line change
`@@ -75,6 +75,17 @@ impl EquationOfState for EosVariant {`
`75`	`75`	`EosVariant::UVTheory(eos) => eos.residual(),`
`76`	`76`	`}`
`77`	`77`	`}`
	`78`	`+`
	`79`	`+ fn ideal_gas(&self) -> &dyn IdealGasContribution {`
	`80`	`+ match self {`
	`81`	`+ EosVariant::PcSaft(eos) => eos.ideal_gas(),`
	`82`	`+ EosVariant::GcPcSaft(eos) => eos.ideal_gas(),`
	`83`	`+ EosVariant::PengRobinson(eos) => eos.ideal_gas(),`
	`84`	`+ EosVariant::Python(eos) => eos.ideal_gas(),`
	`85`	`+ EosVariant::Pets(eos) => eos.ideal_gas(),`
	`86`	`+ EosVariant::UVTheory(eos) => eos.ideal_gas(),`
	`87`	`+ }`
	`88`	`+ }`
`78`	`89`	`}`
`79`	`90`
`80`	`91`	`impl MolarWeight<SIUnit> for EosVariant {`