1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73

use super::{DataSet, EstimatorError};
use feos_core::{DensityInitialization, EntropyScaling, EosUnit, EquationOfState, State};
use ndarray::arr1;
use quantity::si::{SIArray1, SIUnit};
use std::collections::HashMap;
use std::sync::Arc;

/// Store experimental viscosity data.
#[derive(Clone)]
pub struct Viscosity {
    pub target: SIArray1,
    temperature: SIArray1,
    pressure: SIArray1,
}

impl Viscosity {
    /// Create a new data set for experimental viscosity data.
    pub fn new(
        target: SIArray1,
        temperature: SIArray1,
        pressure: SIArray1,
    ) -> Result<Self, EstimatorError> {
        Ok(Self {
            target,
            temperature,
            pressure,
        })
    }

    /// Return temperature.
    pub fn temperature(&self) -> SIArray1 {
        self.temperature.clone()
    }

    /// Return pressure.
    pub fn pressure(&self) -> SIArray1 {
        self.pressure.clone()
    }
}

impl<E: EquationOfState + EntropyScaling> DataSet<E> for Viscosity {
    fn target(&self) -> &SIArray1 {
        &self.target
    }

    fn target_str(&self) -> &str {
        "viscosity"
    }

    fn input_str(&self) -> Vec<&str> {
        vec!["temperature", "pressure"]
    }

    fn predict(&self, eos: &Arc<E>) -> Result<SIArray1, EstimatorError> {
        let moles = arr1(&[1.0]) * SIUnit::reference_moles();
        self.temperature
            .into_iter()
            .zip(self.pressure.into_iter())
            .map(|(t, p)| {
                State::new_npt(eos, t, p, &moles, DensityInitialization::None)?
                    .viscosity()
                    .map_err(EstimatorError::from)
            })
            .collect()
    }

    fn get_input(&self) -> HashMap<String, SIArray1> {
        let mut m = HashMap::with_capacity(1);
        m.insert("temperature".to_owned(), self.temperature());
        m.insert("pressure".to_owned(), self.pressure());
        m
    }
}