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Copy pathequation_of_state.rs
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139 lines (135 loc) · 4.92 KB
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#[macro_export]
macro_rules! impl_equation_of_state {
($py_eos:ty) => {
#[pymethods]
impl $py_eos {
/// Return maximum density for given amount of substance of each component.
///
/// Parameters
/// ----------
/// moles : SIArray1, optional
/// The amount of substance in mol for each component.
///
/// Returns
/// -------
/// SINumber
#[pyo3(text_signature = "(moles=None)")]
fn max_density(&self, moles: Option<PySIArray1>) -> PyResult<PySINumber> {
let m = moles.map(|m| m.try_into()).transpose()?;
Ok(self.0.max_density(m.as_ref())?.into())
}
}
};
}
#[macro_export]
macro_rules! impl_virial_coefficients {
($py_eos:ty) => {
#[pymethods]
impl $py_eos {
/// Calculate the second Virial coefficient B(T,x).
///
/// Parameters
/// ----------
/// temperature : SINumber
/// The temperature for which B should be computed.
/// moles : SIArray1, optional
/// The amount of substance in mol for each component.
///
/// Returns
/// -------
/// SINumber
#[pyo3(text_signature = "(temperature, moles=None)")]
fn second_virial_coefficient(
&self,
temperature: PySINumber,
moles: Option<PySIArray1>,
) -> PyResult<PySINumber> {
let m = moles.map(|m| m.try_into()).transpose()?;
Ok(self
.0
.second_virial_coefficient(temperature.try_into()?, m.as_ref())?
.into())
}
/// Calculate the third Virial coefficient C(T,x).
///
/// Parameters
/// ----------
/// temperature : SINumber
/// The temperature for which C should be computed.
/// moles : SIArray1, optional
/// The amount of substance in mol for each component.
///
/// Returns
/// -------
/// SINumber
#[pyo3(text_signature = "(temperature, moles=None)")]
fn third_virial_coefficient(
&self,
temperature: PySINumber,
moles: Option<PySIArray1>,
) -> PyResult<PySINumber> {
let m = moles.map(|m| m.try_into()).transpose()?;
Ok(self
.0
.third_virial_coefficient(temperature.try_into()?, m.as_ref())?
.into())
}
/// Calculate the derivative of the second Virial coefficient B(T,x)
/// with respect to temperature.
///
/// Parameters
/// ----------
/// temperature : SINumber
/// The temperature for which B' should be computed.
/// moles : SIArray1, optional
/// The amount of substance in mol for each component.
///
/// Returns
/// -------
/// SINumber
#[pyo3(text_signature = "(temperature, moles=None)")]
fn second_virial_coefficient_temperature_derivative(
&self,
temperature: PySINumber,
moles: Option<PySIArray1>,
) -> PyResult<PySINumber> {
let m = moles.map(|m| m.try_into()).transpose()?;
Ok(self
.0
.second_virial_coefficient_temperature_derivative(
temperature.try_into()?,
m.as_ref(),
)?
.into())
}
/// Calculate the derivative of the third Virial coefficient C(T,x)
/// with respect to temperature.
///
/// Parameters
/// ----------
/// temperature : SINumber
/// The temperature for which C' should be computed.
/// moles : SIArray1, optional
/// The amount of substance in mol for each component.
///
/// Returns
/// -------
/// SINumber
#[pyo3(text_signature = "(temperature, moles=None)")]
fn third_virial_coefficient_temperature_derivative(
&self,
temperature: PySINumber,
moles: Option<PySIArray1>,
) -> PyResult<PySINumber> {
let m = moles.map(|m| m.try_into()).transpose()?;
Ok(self
.0
.third_virial_coefficient_temperature_derivative(
temperature.try_into()?,
m.as_ref(),
)?
.into())
}
}
};
}