PetsParameters

feos_pets

Struct PetsParameters 

Source 
pub struct PetsParameters {
Show 13 fields
    pub molarweight: Array1<f64>,
    pub sigma: Array1<f64>,
    pub epsilon_k: Array1<f64>,
    pub k_ij: Array2<f64>,
    pub sigma_ij: Array2<f64>,
    pub epsilon_k_ij: Array2<f64>,
    pub e_k_ij: Array2<f64>,
    pub viscosity: Option<Array2<f64>>,
    pub diffusion: Option<Array2<f64>>,
    pub thermal_conductivity: Option<Array2<f64>>,
    pub pure_records: Vec<PureRecord<PetsRecord, JobackRecord>>,
    pub joback_records: Option<Vec<JobackRecord>>,
    pub binary_records: Array2<PetsBinaryRecord>,

}

Fields§

§molarweight: Array1<f64>§sigma: Array1<f64>§epsilon_k: Array1<f64>§k_ij: Array2<f64>§sigma_ij: Array2<f64>§epsilon_k_ij: Array2<f64>§e_k_ij: Array2<f64>§viscosity: Option<Array2<f64>>§diffusion: Option<Array2<f64>>§thermal_conductivity: Option<Array2<f64>>§pure_records: Vec<PureRecord<PetsRecord, JobackRecord>>§joback_records: Option<Vec<JobackRecord>>§binary_records: Array2<PetsBinaryRecord>

Implementations§

Source§

impl PetsParameters

Source

pub fn hs_diameter<D: DualNum<f64>>(&self, temperature: D) -> Array1<D>

Source§

impl PetsParameters

Source

pub fn to_markdown(&self) -> String

Trait Implementations§

Source§

impl Clone for PetsParameters

Source§

fn clone(&self) -> PetsParameters

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
Source§

impl Debug for PetsParameters

Source§

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter. Read more
Source§

impl Default for PetsParameters

Source§

fn default() -> PetsParameters

Returns the “default value” for a type. Read more
Source§

impl<'de> Deserialize<'de> for PetsParameters

Source§

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>
where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer. Read more
Source§

impl Display for PetsParameters

Source§

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter. Read more
Source§

impl FMTProperties for PetsParameters

Source§

fn component_index(&self) -> Array1<usize>

Source§

fn chain_length(&self) -> Array1<f64>

Source§

fn hs_diameter<D: DualNum<f64>>(&self, temperature: D) -> Array1<D>

Source§

impl Parameter for PetsParameters

Source§

type Pure = PetsRecord

Source§

type IdealGas = JobackRecord

Source§

type Binary = PetsBinaryRecord

Source§

fn from_records( pure_records: Vec<PureRecord<Self::Pure, Self::IdealGas>>, binary_records: Array2<PetsBinaryRecord>, ) -> Self

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

fn records( &self, ) -> (&[PureRecord<PetsRecord, JobackRecord>], &Array2<PetsBinaryRecord>)

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

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

Creates parameters for a pure component from a pure record.
Source§

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

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

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

Creates parameters from substance information stored in json files.
Source§

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

Creates parameters from substance information stored in multiple json files.
Source§

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

Source§

impl Serialize for PetsParameters

Source§

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>
where __S: Serializer,

Serialize this value into the given Serde serializer. Read more

Auto Trait Implementations§

Blanket Implementations§

Source§

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

Source§

fn type_id(&self) -> TypeId

Gets the TypeId of self. Read more
Source§

impl<T> Borrow<T> for T
where T: ?Sized,

Source§

fn borrow(&self) -> &T

Immutably borrows from an owned value. Read more
Source§

impl<T> BorrowMut<T> for T
where T: ?Sized,

Source§

fn borrow_mut(&mut self) -> &mut T

Mutably borrows from an owned value. Read more
Source§

impl<T> CloneToUninit for T
where T: Clone,

Source§

unsafe fn clone_to_uninit(&self, dest: *mut u8)

🔬This is a nightly-only experimental API. (clone_to_uninit)
Performs copy-assignment from self to dest. Read more
Source§

impl<T> From<T> for T

Source§

fn from(t: T) -> T

Returns the argument unchanged.

Source§

impl<T, U> Into<U> for T
where U: From<T>,

Source§

fn into(self) -> U

Calls U::from(self).

That is, this conversion is whatever the implementation of From<T> for U chooses to do.

Source§

impl<T> IntoEither for T

Source§

fn into_either(self, into_left: bool) -> Either<Self, Self>

Converts self into a Left variant of Either<Self, Self> if into_left is true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more
Source§

fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
where F: FnOnce(&Self) -> bool,

Converts self into a Left variant of Either<Self, Self> if into_left(&self) returns true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more
Source§

impl<T> Pointable for T

Source§

const ALIGN: usize

The alignment of pointer.
Source§

type Init = T

The type for initializers.
Source§

unsafe fn init(init: <T as Pointable>::Init) -> usize

Initializes a with the given initializer. Read more
Source§

unsafe fn deref<'a>(ptr: usize) -> &'a T

Dereferences the given pointer. Read more
Source§

unsafe fn deref_mut<'a>(ptr: usize) -> &'a mut T

Mutably dereferences the given pointer. Read more
Source§

unsafe fn drop(ptr: usize)

Drops the object pointed to by the given pointer. Read more
Source§

impl<T> Same for T

Source§

type Output = T

Should always be Self
Source§

impl<SS, SP> SupersetOf<SS> for SP
where SS: SubsetOf<SP>,

Source§

fn to_subset(&self) -> Option<SS>

The inverse inclusion map: attempts to construct self from the equivalent element of its superset. Read more
Source§

fn is_in_subset(&self) -> bool

Checks if self is actually part of its subset T (and can be converted to it).
Source§

fn to_subset_unchecked(&self) -> SS

Use with care! Same as self.to_subset but without any property checks. Always succeeds.
Source§

fn from_subset(element: &SS) -> SP

The inclusion map: converts self to the equivalent element of its superset.
Source§

impl<T> ToOwned for T
where T: Clone,

Source§

type Owned = T

The resulting type after obtaining ownership.
Source§

fn to_owned(&self) -> T

Creates owned data from borrowed data, usually by cloning. Read more
Source§

fn clone_into(&self, target: &mut T)

Uses borrowed data to replace owned data, usually by cloning. Read more
Source§

impl<T> ToString for T
where T: Display + ?Sized,

Source§

fn to_string(&self) -> String

Converts the given value to a String. Read more
Source§

impl<T, U> TryFrom<U> for T
where U: Into<T>,

Source§

type Error = Infallible

The type returned in the event of a conversion error.
Source§

fn try_from(value: U) -> Result<T, <T as TryFrom<U>>::Error>

Performs the conversion.
Source§

impl<T, U> TryInto<U> for T
where U: TryFrom<T>,

Source§

type Error = <U as TryFrom<T>>::Error

The type returned in the event of a conversion error.
Source§

fn try_into(self) -> Result<U, <U as TryFrom<T>>::Error>

Performs the conversion.
Source§

impl<V, T> VZip<V> for T
where V: MultiLane<T>,

Source§

fn vzip(self) -> V

Source§

impl<T> DeserializeOwned for T
where T: for<'de> Deserialize<'de>,