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Enforce total_moles when providing molefracs that do not add up to 1 #227

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Merged
prehner merged 3 commits into from
Feb 27, 2024
Merged

Enforce total_moles when providing molefracs that do not add up to 1 #227

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05570c6
Enforce total_moles when providing molefracs that do not add up to 1
prehner Feb 27, 2024
0cd9133
add changelog
prehner Feb 27, 2024
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remove print
prehner Feb 27, 2024
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1 change: 1 addition & 0 deletions feos-core/CHANGELOG.md
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Expand Up @@ -19,6 +19,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0

### Fixed
- Added comparison for pressures of both phases in `PyPhaseDiagram.to_dict` to make the method work with `spinodal` constructor. [#224](https://github.com/feos-org/feos/pull/224)
- Enforce the total moles when providing `State::new` with molefracs that do not add up to 1. [#227](https://github.com/feos-org/feos/pull/227)


## [0.6.1] 2024-01-11
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2 changes: 1 addition & 1 deletion feos-core/src/state/mod.rs
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Expand Up @@ -383,7 +383,7 @@ impl<E: Residual> State<E> {
if let (None, None) = (volume, n) {
n = Some(Moles::from_reduced(1.0))
}
let n_i = n.map(|n| &x_u * n);
let n_i = n.map(|n| &x_u * n / x_u.sum());
let v = volume.or_else(|| rho.and_then(|d| n.map(|n| n / d)));

// check if new state can be created using default constructor
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