thermolib 0.7.7__tar.gz → 0.8.0__tar.gz

{thermolib-0.7.7 → thermolib-0.8.0}/Cargo.lock

@@ -210,7 +210,7 @@ checksum = "61c41af27dd6d1e27b1b16b489db798443478cef1f06a660c96db617ba5de3b1"
 
 [[package]]
 name = "thermolib"
-version = "0.7.7"
+version = "0.8.0"
 dependencies = [
  "anyhow",
  "pyo3",

{thermolib-0.7.7 → thermolib-0.8.0}/Cargo.toml

@@ -1,6 +1,6 @@
 [package]
 name = "thermolib"
-version = "0.7.7"
+version = "0.8.0"
 edition = "2021"
 license = "MIT"
 description = "An open-source library for the calculation of fluid properties"

{thermolib-0.7.7 → thermolib-0.8.0}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.3
 Name: thermolib
-Version: 0.7.7
+Version: 0.8.0
 License-File: LICENSE
 Summary: An open-source library for the calculation of fluid properties
 License: MIT

thermolib-0.8.0/src/ideal_gas.rs

@@ -0,0 +1,56 @@
+#[cfg(feature = "with_pyo3")]
+use pyo3::{pyclass, pymethods};
+#[cfg_attr(feature = "with_pyo3", pyclass)]
+pub struct IdealGas {
+    c: f64,
+    v: Vec<f64>,
+}
+impl IdealGas {
+    pub fn new_fluid() -> Self {
+        Self {
+            c: 1.5, // Translation contribution = 1.5
+            v: Vec::new(),
+        }
+    }
+}
+#[cfg_attr(feature = "with_pyo3", pymethods)]
+#[allow(non_snake_case)]
+impl IdealGas {
+    #[cfg(feature = "with_pyo3")]
+    #[new]
+    pub fn new_py() -> Self {
+        Self::new_fluid()
+    }
+    pub fn set_linear_molecule(&mut self) {
+        // Translation contribution = 1.5
+        // Rotation contribution = 1.0
+        self.c = 2.5;
+    }
+    pub fn set_nonlinear_molecule(&mut self) {
+        // Translation contribution = 1.5
+        // Rotation contribution = 1.5
+        self.c = 3.0;
+    }
+    pub fn set_wave_length(&mut self, waves: Vec<f64>) {
+        self.v = waves.iter().map(|wave| C * wave * 100.0).collect();
+    }
+    pub fn calc_cv(&self, T: f64) -> f64 {
+        R * (self.c
+            + self
+                .v
+                .iter()
+                .map(|vi| {
+                    let temp = -FRAC_H_K * vi / T;
+                    temp.exp() * (temp / temp.exp_m1()).powi(2)
+                })
+                .sum::<f64>())
+    }
+    pub fn calc_cp(&self, T: f64) -> f64 {
+        self.calc_cv(T) + R
+    }
+}
+const R: f64 = 8.314462618; // CODATA2018 (molar gas constant) J mol^-1 K^-1
+const C: f64 = 299792458.0; // CODATA2018 (speed of light in vacuum) m s^-1
+const H: f64 = 6.62607015E-34; // CODATA2018 (Planck constant) J Hz^-1
+const K: f64 = 1.380649e-23; // CODATA2018 (Boltzmann constant) J K^-1
+const FRAC_H_K: f64 = H / K; // K / Hz

{thermolib-0.7.7 → thermolib-0.8.0}/src/lib.rs

@@ -32,3 +32,6 @@ pub use liquid_metal::LiquidMetal;
 /// PC-SAFT EOS
 mod pc_saft;
 pub use pc_saft::PcSaftPure;
+/// Ideal Gas
+mod ideal_gas;
+pub use ideal_gas::IdealGas;

{thermolib-0.7.7 → thermolib-0.8.0}/src/python.rs

@@ -5,6 +5,7 @@ fn hello() -> PyResult<String> {
     Ok(String::from("Hello, Rust And Python."))
 }
 use crate::Helmholtz;
+use crate::IdealGas;
 use crate::LiquidMetal;
 use crate::PcSaftPure;
 use crate::Pr;
@@ -23,5 +24,6 @@ pub fn pylib(m: &Bound<'_, PyModule>) -> PyResult<()> {
     m.add_class::<Helmholtz>()?;
     m.add_class::<LiquidMetal>()?;
     m.add_class::<PcSaftPure>()?;
+    m.add_class::<IdealGas>()?;
     Ok(())
 }