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New struct StateVec and simpler interfaces for phase equilibria #48

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g-bauer merged 4 commits into from
Mar 26, 2022
Merged

New struct StateVec and simpler interfaces for phase equilibria #48

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aa56a74
New struct `StateVec` and simpler interfaces for phase equilibria
prehner Mar 21, 2022
969c986
fixes
prehner Mar 21, 2022
453201e
move StateVec to state module and fix some documentation issues
prehner Mar 21, 2022
2c2df6a
add FromIterator implementation to StateVec
prehner Mar 25, 2022
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add FromIterator implementation to StateVec
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@prehner
prehner committed Mar 25, 2022
commit 2c2df6a18724e17a044a09c9edfb028db154fda5
8 changes: 2 additions & 6 deletions src/phase_equilibria/phase_diagram_pure.rs
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Expand Up @@ -55,15 +55,11 @@ impl<U: EosUnit, E: EquationOfState> PhaseDiagram<U, E> {

/// Return the vapor states of the diagram.
pub fn vapor(&self) -> StateVec<'_, U, E> {
StateVec {
states: self.states.iter().map(|s| s.vapor()).collect(),
}
self.states.iter().map(|s| s.vapor()).collect()
}

/// Return the liquid states of the diagram.
pub fn liquid(&self) -> StateVec<'_, U, E> {
StateVec {
states: self.states.iter().map(|s| s.liquid()).collect(),
}
self.states.iter().map(|s| s.liquid()).collect()
}
}
9 changes: 9 additions & 0 deletions src/state/properties.rs
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Expand Up @@ -5,6 +5,7 @@ use crate::EosUnit;
use ndarray::{Array1, Array2};
use num_dual::DualNum;
use quantity::{QuantityArray, QuantityArray1, QuantityArray2, QuantityScalar};
use std::iter::FromIterator;
use std::ops::{Add, Sub};

#[derive(Clone, Copy)]
Expand Down Expand Up @@ -713,6 +714,14 @@ pub struct StateVec<'a, U, E> {
pub states: Vec<&'a State<U, E>>,
}

impl<'a, U, E> FromIterator<&'a State<U, E>> for StateVec<'a, U, E> {
fn from_iter<I: IntoIterator<Item = &'a State<U, E>>>(iter: I) -> Self {
Self {
states: iter.into_iter().collect(),
}
}
}

impl<'a, U: EosUnit, E: EquationOfState> StateVec<'a, U, E> {
pub fn temperature(&self) -> QuantityArray1<U> {
QuantityArray1::from_shape_fn(self.states.len(), |i| self.states[i].temperature)
Expand Down