Repository navigation
Expand file tree
/
Copy pathequation_of_state.rs
More file actions
133 lines (129 loc) · 4.6 KB
/
Copy pathequation_of_state.rs
File metadata and controls
133 lines (129 loc) · 4.6 KB
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
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
#[macro_export]
macro_rules! impl_equation_of_state {
($py_eos:ty) => {
#[pymethods]
impl $py_eos {
/// Return maximum density for given amount of substance of each component.
///
/// Parameters
/// ----------
/// moles : SIArray1, optional
/// The amount of substance in mol for each component.
///
/// Returns
/// -------
/// SINumber
#[pyo3(text_signature = "(moles=None)")]
fn max_density(&self, moles: Option<PySIArray1>) -> PyResult<PySINumber> {
let m = moles.as_deref();
Ok(self.0.max_density(m)?.into())
}
}
};
}
#[macro_export]
macro_rules! impl_virial_coefficients {
($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.as_deref();
Ok(self
.0
.second_virial_coefficient(temperature.into(), m)?
.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.as_deref();
Ok(self
.0
.third_virial_coefficient(temperature.into(), m)?
.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.as_deref();
Ok(self
.0
.second_virial_coefficient_temperature_derivative(temperature.into(), m)?
.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.as_deref();
Ok(self
.0
.third_virial_coefficient_temperature_derivative(temperature.into(), m)?
.into())
}
}
};
}