AssociationParameters

feos_core::parameter

Struct AssociationParameters 

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pub struct AssociationParameters<A> {
    pub component_index: DVector<usize>,
    pub sites_a: Vec<AssociationSite>,
    pub sites_b: Vec<AssociationSite>,
    pub sites_c: Vec<AssociationSite>,
    pub binary_ab: Vec<BinaryParameters<A, ()>>,
    pub binary_cc: Vec<BinaryParameters<A, ()>>,
}
Expand description

Parameter set required for the SAFT association Helmoltz energy contribution and functional.

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§component_index: DVector<usize>§sites_a: Vec<AssociationSite>§sites_b: Vec<AssociationSite>§sites_c: Vec<AssociationSite>§binary_ab: Vec<BinaryParameters<A, ()>>§binary_cc: Vec<BinaryParameters<A, ()>>

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impl<A: Clone> AssociationParameters<A>

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pub fn new<P, B>( pure_records: &[PureRecord<P, A>], binary_records: &[BinaryRecord<usize, B, A>], ) -> FeosResult<Self>
where A: CombiningRule<P>,

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pub fn new_hetero<P, C: GroupCount>( groups: &[PureParameters<P, C>], association_sites: &[Vec<AssociationRecord<A>>], binary_records: &[BinaryParameters<Vec<BinaryAssociationRecord<A>>, ()>], ) -> FeosResult<Self>
where A: CombiningRule<P>,

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pub fn is_empty(&self) -> bool

Trait Implementations§

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impl<A: Clone> Clone for AssociationParameters<A>

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fn clone(&self) -> AssociationParameters<A>

Returns a duplicate of the value. Read more
1.0.0 · Source§

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source. Read more

Auto Trait Implementations§

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impl<A> Freeze for AssociationParameters<A>

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impl<A> RefUnwindSafe for AssociationParameters<A>
where A: RefUnwindSafe,

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impl<A> Send for AssociationParameters<A>
where A: Send,

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impl<A> Sync for AssociationParameters<A>
where A: Sync,

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impl<A> Unpin for AssociationParameters<A>
where A: Unpin,

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impl<A> UnwindSafe for AssociationParameters<A>
where A: UnwindSafe,

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impl<T> Any for T
where T: 'static + ?Sized,

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Gets the TypeId of self. Read more
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impl<T> Borrow<T> for T
where T: ?Sized,

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Immutably borrows from an owned value. Read more
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fn borrow_mut(&mut self) -> &mut T

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impl<T> CloneToUninit for T
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unsafe fn clone_to_uninit(&self, dest: *mut u8)

🔬This is a nightly-only experimental API. (clone_to_uninit)
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Calls U::from(self).

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const ALIGN: usize

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type Init = T

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fn vapor_pressure<const P: usize>( &self, temperature: Temperature, ) -> FeosResult<Pressure<DualSVec<f64, f64, P>>>
where Self: Residual<U1, DualSVec<f64, f64, P>>,

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fn equilibrium_liquid_density<const P: usize>( &self, temperature: Temperature, ) -> FeosResult<(Pressure<DualSVec<f64, f64, P>>, Density<DualSVec<f64, f64, P>>)>
where Self: Residual<U1, DualSVec<f64, f64, P>>,

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fn liquid_density<const P: usize>( &self, temperature: Temperature, pressure: Pressure, ) -> FeosResult<Density<DualSVec<f64, f64, P>>>
where Self: Residual<U1, DualSVec<f64, f64, P>>,

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fn vapor_pressure_parallel<const P: usize>( parameter_names: [String; P], parameters: ArrayView2<'_, f64>, input: ArrayView2<'_, f64>, ) -> (Array1<f64>, Array2<f64>, Array1<bool>)
where Self: ParametersAD<1>,

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fn liquid_density_parallel<const P: usize>( parameter_names: [String; P], parameters: ArrayView2<'_, f64>, input: ArrayView2<'_, f64>, ) -> (Array1<f64>, Array2<f64>, Array1<bool>)
where Self: ParametersAD<1>,

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fn equilibrium_liquid_density_parallel<const P: usize>( parameter_names: [String; P], parameters: ArrayView2<'_, f64>, input: ArrayView2<'_, f64>, ) -> (Array1<f64>, Array2<f64>, Array1<bool>)
where Self: ParametersAD<1>,

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fn bubble_point_pressure<const P: usize>( &self, temperature: Temperature, pressure: Option<Pressure>, liquid_molefracs: SVector<f64, 2>, ) -> FeosResult<Pressure<DualSVec<f64, f64, P>>>
where Self: Residual<U2, DualSVec<f64, f64, P>>,

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fn dew_point_pressure<const P: usize>( &self, temperature: Temperature, pressure: Option<Pressure>, vapor_molefracs: SVector<f64, 2>, ) -> FeosResult<Pressure<DualSVec<f64, f64, P>>>
where Self: Residual<U2, DualSVec<f64, f64, P>>,

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fn bubble_point_pressure_parallel<const P: usize>( parameter_names: [String; P], parameters: ArrayView2<'_, f64>, input: ArrayView2<'_, f64>, ) -> (Array1<f64>, Array2<f64>, Array1<bool>)
where Self: ParametersAD<2>,

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fn dew_point_pressure_parallel<const P: usize>( parameter_names: [String; P], parameters: ArrayView2<'_, f64>, input: ArrayView2<'_, f64>, ) -> (Array1<f64>, Array2<f64>, Array1<bool>)
where Self: ParametersAD<2>,

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