Struct PureDataset 

pub struct PureDataset { /* private fields */ }

Pure-component dataset: shared data storage plus a property tag.

Implementations

impl PureDataset

pub fn vapor_pressure(records: Vec<VaporPressureRecord>) -> Self

pub fn liquid_density(records: Vec<LiquidDensityRecord>) -> Self

pub fn equilibrium_liquid_density( records: Vec<EquilibriumLiquidDensityRecord>, ) -> Self

pub fn enthalpy_of_vaporization( records: Vec<EnthalpyOfVaporizationRecord>, ) -> Self

pub fn residual_isobaric_heat_capacity( records: Vec<ResidualIsobaricHeatCapacityRecord>, ) -> Self

pub fn from_csv(property: PureProperty, path: &Path) -> Result<Self, Error>

pub fn from_reader( property: PureProperty, reader: impl Read, ) -> Result<Self, Error>

impl PureDataset

pub fn with_name(self, name: impl Into<String>) -> Self

pub fn property(&self) -> PureProperty

pub fn inputs(&self) -> ArrayView2<'_, f64>

pub fn target(&self) -> ArrayView1<'_, f64>

pub fn name(&self) -> &str

pub fn input_names(&self) -> &'static [&'static str]

pub fn target_name(&self) -> &'static str

Trait Implementations

impl Dataset for PureDataset

fn inputs(&self) -> ArrayView2<'_, f64>

Inputs for EoS evaluation, shape [n_points, k].

fn target(&self) -> ArrayView1<'_, f64>

Target values, shape [n_points].

fn name(&self) -> &str

Property name.

fn input_names(&self) -> &'static [&'static str]

Names of independent input columns.

fn target_name(&self) -> &'static str

Name of the target property.

fn evaluate<E: Residual + Sync>(&self, eos: &E) -> (Array1<f64>, Array1<bool>)

Evaluate this dataset’s property with an equation of state.

impl DatasetAD<1> for PureDataset

fn evaluate_ad_const<T: ParametersAD<U1>, const P: usize>( &self, names: [String; P], parameters: &[f64], inputs: ArrayView2<'_, f64>, ) -> (Array1<f64>, Array2<f64>, Array1<bool>)

where T::Lifted<DualSVec<f64, f64, P>>: Sync,

Evaluate the property and its P parameter gradients.

fn evaluate_ad<T: ParametersAD<Const<N>>>( &self, param_names: &[String], parameters: &[f64], ) -> (Array1<f64>, Array2<f64>, Array1<bool>)

where T::Lifted<DualSVec<f64, f64, P>>: Sync,

Evaluate the property and its parameter gradients at the given parameters.