Trait Parameter

pub trait Parameter
where
    Self: Sized,
{
    type Pure: Clone + DeserializeOwned;
    type Binary: Clone + DeserializeOwned + Default;

    // Required methods
    fn from_records(
        pure_records: Vec<PureRecord<Self::Pure>>,
        binary_records: Option<Array2<Self::Binary>>,
    ) -> Result<Self, ParameterError>;
    fn records(
        &self,
    ) -> (&[PureRecord<Self::Pure>], Option<&Array2<Self::Binary>>);

    // Provided methods
    fn new_pure(
        pure_record: PureRecord<Self::Pure>,
    ) -> Result<Self, ParameterError> { ... }
    fn new_binary(
        pure_records: Vec<PureRecord<Self::Pure>>,
        binary_record: Option<Self::Binary>,
    ) -> Result<Self, ParameterError> { ... }
    fn from_model_records(
        model_records: Vec<Self::Pure>,
    ) -> Result<Self, ParameterError> { ... }
    fn binary_matrix_from_records(
        pure_records: &[PureRecord<Self::Pure>],
        binary_records: &[BinaryRecord<Identifier, Self::Binary>],
        identifier_option: IdentifierOption,
    ) -> Option<Array2<Self::Binary>> { ... }
    fn from_json<P>(
        substances: Vec<&str>,
        file_pure: P,
        file_binary: Option<P>,
        identifier_option: IdentifierOption,
    ) -> Result<Self, ParameterError>
       where P: AsRef<Path> { ... }
    fn from_multiple_json<P>(
        input: &[(Vec<&str>, P)],
        file_binary: Option<P>,
        identifier_option: IdentifierOption,
    ) -> Result<Self, ParameterError>
       where P: AsRef<Path> { ... }
    fn from_segments<C: SegmentCount>(
        chemical_records: Vec<C>,
        segment_records: Vec<SegmentRecord<Self::Pure>>,
        binary_segment_records: Option<Vec<BinaryRecord<String, f64>>>,
    ) -> Result<Self, ParameterError>
       where Self::Pure: FromSegments<C::Count>,
             Self::Binary: FromSegmentsBinary<C::Count> { ... }
    fn from_json_segments<P>(
        substances: &[&str],
        file_pure: P,
        file_segments: P,
        file_binary: Option<P>,
        identifier_option: IdentifierOption,
    ) -> Result<Self, ParameterError>
       where P: AsRef<Path>,
             Self::Pure: FromSegments<usize>,
             Self::Binary: FromSegmentsBinary<usize> { ... }
    fn subset(&self, component_list: &[usize]) -> Self { ... }
}

Constructor methods for parameters.

By implementing Parameter for a type, you define how parameters of an equation of state can be constructed from a sequence of single substance records and possibly binary interaction parameters.

Required Associated Types

type Pure: Clone + DeserializeOwned

type Binary: Clone + DeserializeOwned + Default

Required Methods

fn from_records( pure_records: Vec<PureRecord<Self::Pure>>, binary_records: Option<Array2<Self::Binary>>, ) -> Result<Self, ParameterError>

Creates parameters from records for pure substances and possibly binary parameters.

fn records(&self) -> (&[PureRecord<Self::Pure>], Option<&Array2<Self::Binary>>)

Return the original pure and binary records that were used to construct the parameters.

Provided Methods

fn new_pure(pure_record: PureRecord<Self::Pure>) -> Result<Self, ParameterError>

Creates parameters for a pure component from a pure record.

fn new_binary( pure_records: Vec<PureRecord<Self::Pure>>, binary_record: Option<Self::Binary>, ) -> Result<Self, ParameterError>

Creates parameters for a binary system from pure records and an optional binary interaction parameter.

fn from_model_records( model_records: Vec<Self::Pure>, ) -> Result<Self, ParameterError>

Creates parameters from model records with default values for the molar weight, identifiers, and binary interaction parameters.

fn binary_matrix_from_records( pure_records: &[PureRecord<Self::Pure>], binary_records: &[BinaryRecord<Identifier, Self::Binary>], identifier_option: IdentifierOption, ) -> Option<Array2<Self::Binary>>

Helper function to build matrix from list of records in correct order.

If the identifiers in binary_records are not a subset of those in pure_records, the Default implementation of Self::Binary is used.

fn from_json<P>( substances: Vec<&str>, file_pure: P, file_binary: Option<P>, identifier_option: IdentifierOption, ) -> Result<Self, ParameterError>

where P: AsRef<Path>,

Creates parameters from substance information stored in json files.

fn from_multiple_json<P>( input: &[(Vec<&str>, P)], file_binary: Option<P>, identifier_option: IdentifierOption, ) -> Result<Self, ParameterError>

where P: AsRef<Path>,

Creates parameters from substance information stored in multiple json files.

fn from_segments<C: SegmentCount>( chemical_records: Vec<C>, segment_records: Vec<SegmentRecord<Self::Pure>>, binary_segment_records: Option<Vec<BinaryRecord<String, f64>>>, ) -> Result<Self, ParameterError>

where Self::Pure: FromSegments<C::Count>, Self::Binary: FromSegmentsBinary<C::Count>,

Creates parameters from the molecular structure and segment information.

The FromSegments trait needs to be implemented for both the model record and the ideal gas record.

fn from_json_segments<P>( substances: &[&str], file_pure: P, file_segments: P, file_binary: Option<P>, identifier_option: IdentifierOption, ) -> Result<Self, ParameterError>

where P: AsRef<Path>, Self::Pure: FromSegments<usize>, Self::Binary: FromSegmentsBinary<usize>,

Creates parameters from segment information stored in json files.

The FromSegments trait needs to be implemented for both the model record and the ideal gas record.

fn subset(&self, component_list: &[usize]) -> Self

Return a parameter set containing the subset of components specified in component_list.

Panics

Panics if index in component_list is out of bounds or if Parameter::from_records fails.

Dyn Compatibility

This trait is not dyn compatible.

In older versions of Rust, dyn compatibility was called "object safety", so this trait is not object safe.

Implementors

impl Parameter for PengRobinsonParameters

type Pure = PengRobinsonRecord

type Binary = f64