add python binding

.gitignore

@@ -1,5 +1,8 @@
 /target
 /Cargo.lock
+/python/seuif97.egg-info
+/dist
+/build
 *.exe
 *.pdb
 *.jar

Cargo.toml

@@ -1,6 +1,6 @@
 [package]
 name = "if97"
-version = "1.3.9"
+version = "1.4.0"
 edition = "2021"
 authors = ["Cheng Maohua <cmh@seu.edu.cn>"]
 description = "The high-speed IAPWS-IF97 package with C binding"
@@ -13,11 +13,19 @@ categories = ["science"]
 exclude=["/dynamic_lib"]
 
 [lib]
+name = "if97"
 crate-type = ["rlib","cdylib"]
 
 [features]
 cdecl=[]
 stdcall=[]
+python = ["pyo3"]
+
+[dependencies.pyo3]
+version = "0.15.1"
+features = ["extension-module"]
+optional = true
+
 
 [dev-dependencies]
 assert_approx_eq = "1.1.0"

MANIFEST.in

@@ -0,0 +1,3 @@
+include Cargo.toml
+recursive-include src *
+recursive-include python *

README_Python.md

@@ -0,0 +1,109 @@
+# seuif97
+
+The **seuif97** is the Python API of the high-speed IAPWS-IF97 package in Rust
+
+It is suitable for computation-intensive calculations, such as heat cycle calculations, simulations of non-stationary processes, real-time process monitoring and optimizations.   
+
+In seuif97, [36 thermodynamic, transport and  further properties](#properties) can be calculated. 
+
+The following 12 input pairs are implemented:
+
+```txt
+  (p,t) (p,h) (p,s) (p,v) 
+  
+  (p,x) (t,x) (h,x) (s,x) 
+
+  (t,h) (t,s) (t,v) 
+
+  (h,s)
+```
+
+## The functions 
+
+The type of functions are provided in the seuif97 package:
+
+```python 
+  ??(in1,in2,o_id)
+```
+* the first,second input parameters : the input propertry pairs
+* the third input parametes: the property ID of the calculated property - [o_id](#properties)
+* the return: the calculated property value of o_id
+
+```python
+pt(p,t,o_id)
+ph(p,h,o_id)
+ps(p,s,o_id)
+pv(p,v,o_id)
+
+th(t,h,o_id)
+ts(t,s,o_id)
+tv(t,v,o_id)
+
+hs(h,s,o_id)
+
+px(p,x,o_id)
+tx(p,x,o_id)
+hx(h,x,o_id)
+sx(s,x,o_id)
+```
+
+## Examples
+
+```python
+  import seuif97
+
+  p，t=16.10,535.10
+  t = seuif97.ph(p, h, 1)
+  s = seuif97.ph(p, h, 5)
+  v = seuif97.ph(p, h, 3)
+  print("(p,h),t,s,v:",
+       "{:>.2f}\t {:>.2f}\t {:>.2f}\t {:>.3f}\t {:>.4f}".format(p, h, t, s, v))
+```
+
+## Properties
+
+| Propertry                             |    Unit     | Symbol | o_id  | o_id(i32)|
+| ------------------------------------- | :---------: |:------:|------:|:--------:|
+| Pressure                              |     MPa     |      p |   OP  |       0  |
+| Temperature                           |     °C      |      t |   OT  |       1  |
+| Density                               |   kg/m³     |      ρ |   OD  |       2  |
+| Specific Volume                       |   m³/kg     |      v |   OV  |       3  |
+| Specific enthalpy                     |    kJ/kg    |      h |   OH  |       4  |
+| Specific entropy                      |  kJ/(kg·K)  |      s |   OS  |       5  |
+| Specific exergy                       |    kJ/kg    |      e |   OE  |       6  |
+| Specific internal energy              |    kJ/kg    |      u |   OU  |       7  |
+| Specific isobaric heat capacity       |  kJ/(kg·K)  |     cp |  OCP  |       8  |
+| Specific isochoric heat capacity      |  kJ/(kg·K)  |     cv |  OCV  |       9  |
+| Speed of sound                        |     m/s     |      w |   OW  |       10 |
+| Isentropic exponent                   |             |     k  |  OKS  |       11 |
+| Specific Helmholtz free energy        |    kJ/kg    |     f  |   OF  |       12 |
+| Specific Gibbs free energy            |    kJ/kg    |     g  |   OG  |       13 |
+| Compressibility factor                |             |     z  |   OZ  |       14 |
+| Steam quality                         |             |     x  |   OX  |       15 |
+| Region                                |             |     r  |   OR  |       16 |
+| Isobari cubic expansion coefficient   |     1/K     |   ɑv   |  OEC  |       17 |
+| Isothermal compressibility            |    1/MPa    |    kT  |  OKT  |       18 |
+| Partial derivative (∂V/∂T)p           |  m³/(kg·K)  |(∂V/∂T)p| ODVDT |       19 |
+| Partial derivative (∂V/∂p)T           | m³/(kg·MPa) |(∂v/∂p)t| ODVDP |       20 |
+| Partial derivative (∂P/∂T)v           |    MPa/K    |(∂p/∂t)v| ODPDT |       21 |
+| Isothermal throttling coefficient     | kJ/(kg·MPa) |   δt   | OIJTC |       22 |
+| Joule-Thomson coefficient             |    K/MPa    |    μ   | OJTC  |       23 |
+| Dynamic viscosity                     |   Pa·s      |    η   |  ODV  |       24 |
+| Kinematic viscosity                   |    m²/s     |    ν   |  OKV  |       25 |
+| Thermal conductivity                  |   W/(m.K)   |    λ   |  OTC  |       26 |
+| Thermal diffusivity                   |    m²/s     |    a   |  OTD  |       27 |
+| Prandtl number                        |             |    Pr  |  OPR  |       28 |
+| Surface tension                       |    N/m      |    σ   |  OST  |       29 |
+| Static Dielectric Constant            |             |    ε   | OSDC  |       30 |
+| Isochoric pressure coefficient        |    1/K      |    β   | OPC   |       31 |
+| Isothermal stress coefficient         |   kg/m³     |    βp  | OBETAP|       32 |
+| Fugacity coefficient                  |             |    fi  |   OFI |       33 |
+| Fugacity                              |     MPa     |     f* |   OFU |       34 |
+| Relative pressure coefficient         |     1/K     |    αp  | OAFLAP|        35|
+
+
+
+
+
+
+

pyproject.toml

@@ -0,0 +1,4 @@
+[build-system]
+requires = ["setuptools", "wheel", "setuptools-rust"]
+build-backend = "setuptools.build_meta"
+

python/seuif97/__init__.py

@@ -0,0 +1 @@
+from .seuif97 import *

setup.cfg

@@ -0,0 +1,16 @@
+[metadata]
+name = seuif97
+version = 2.0.1
+author=Cheng Maohua
+author_email=cmh@seu.edu.cn
+keywords = IAPWS-IF97, IF97
+license = MIT
+url = https://github.com/thermalogic/IF97
+long_description = file: README_Python.md
+long_description_content_type = text/markdown
+[options]
+packages = seuif97
+zip_safe = False
+setup_requires = setuptools-rust >= 0.12.1;
+python_requires = >=3.0
+include_package_data = True

setup.py

@@ -0,0 +1,13 @@
+
+from setuptools import find_packages, setup
+from setuptools_rust import RustExtension
+
+setup(
+    packages=find_packages(where="python"),
+    package_dir={"": "python"},
+    rust_extensions=[RustExtension("seuif97.seuif97")],
+    classifiers=[
+        "Programming Language :: Python :: 3",
+        "Topic :: Scientific/Engineering",
+    ]
+)

src/lib.rs

@@ -29,3 +29,6 @@ pub mod cdecl_c_if97;
 
 #[cfg(feature = "stdcall")]
 pub mod stdcall_c_if97;
+
+#[cfg(feature = "python")]
+pub mod python_if97;

src/python_if97.rs

@@ -0,0 +1,158 @@
+//!  The Python API:
+
+use pyo3::prelude::*;
+
+use crate::algo::*;
+use crate::common::*;
+use crate::r1::*;
+use crate::r2::*;
+use crate::r3::*;
+use crate::r4::*;
+use crate::r5::*;
+
+#[pyfunction]
+fn pt(p: f64, t: f64, o_id: i32) -> f64 {
+    let T: f64 = t + 273.15;
+    let reg: i32 = REGION_NONE;
+    match o_id {
+        OP => return p,
+        OT => return t,
+        _ => pair_properties(p, T, o_id, pT_sub_region, pT_reg1, pT_reg2, pT_reg3, pT_reg4, pT_reg5, reg),
+    }
+}
+
+#[pyfunction]
+fn ph(p: f64, h: f64, o_id: i32) -> f64 {
+    let reg: i32 = REGION_NONE;
+    match o_id {
+        OP => return p,
+        OH => return h,
+        _ => pair_properties(p, h, o_id, ph_sub_region, ph_reg1, ph_reg2, ph_reg3, ph_reg4, ph_reg5, reg),
+    }
+}
+
+#[pyfunction]
+fn ps(p: f64, s: f64, o_id: i32) -> f64 {
+    let reg: i32 = REGION_NONE;
+    match o_id {
+        OP => return p,
+        OS => return s,
+        _ => pair_properties(p, s, o_id, ps_sub_region, ps_reg1, ps_reg2, ps_reg3, ps_reg4, ps_reg5, reg),
+    }
+}
+
+#[pyfunction]
+fn hs(h: f64, s: f64, o_id: i32) -> f64 {
+    let reg: i32 = REGION_NONE;
+    match o_id {
+        OH => return h,
+        OS => return s,
+        _ => pair_properties(h, s, o_id, hs_sub_region, hs_reg1, hs_reg2, hs_reg3, hs_reg4, hs_reg5, reg),
+    }
+}
+
+#[pyfunction]
+fn px(p: f64, x: f64, o_id: i32) -> f64 {
+    if p > P_MAX4 || p < P_MIN4 || x > 1.0 || x < 0.0 {
+        return INVALID_VALUE as f64;
+    }
+    match o_id {
+        OP => return p,
+        OX => return x,
+        OT => return px_reg4(p, x, o_id) - 273.15,
+        _ => return px_reg4(p, x, o_id),
+    }
+}
+
+#[pyfunction]
+fn tx(t: f64, x: f64, o_id: i32) -> f64 {
+    let T: f64 = t + 273.15;
+    if T > T_MAX4 || T < T_MIN4 || x > 1.0 || x < 0.0 {
+        return INVALID_VALUE as f64;
+    }
+    Tx_reg4(T, x, o_id)
+}
+
+#[pyfunction]
+fn pv(p: f64, v: f64, o_id: i32) -> f64 {
+    let reg: i32 = REGION_NONE;
+    match o_id {
+        OP => return p,
+        OV => return v,
+        _ => pair_properties(p, v, o_id, pv_sub_region, pv_reg1, pv_reg2, pv_reg3, pv_reg4, pv_reg5, reg),
+    }
+}
+
+#[pyfunction]
+fn tv(t: f64, v: f64, o_id: i32) -> f64 {
+    let reg: i32 = REGION_NONE;
+    match o_id {
+        OT => return t,
+        OV => return v,
+        _ => pair_properties(t, v, o_id, tv_sub_region, tv_reg1, tv_reg2, tv_reg3, tv_reg4, tv_reg5, reg),
+    }
+}
+
+#[pyfunction]
+fn th(t: f64, h: f64, o_id: i32) -> f64 {
+    let reg: i32 = REGION_NONE;
+    match o_id {
+        OT => return t,
+        OH => return h,
+        _ => pair_properties(t, h, o_id, th_sub_region, th_reg1, th_reg2, th_reg3, th_reg4, th_reg5, reg),
+    }
+}
+
+#[pyfunction]
+fn ts(t: f64, s: f64, o_id: i32) -> f64 {
+    let reg: i32 = REGION_NONE;
+    match o_id {
+        OT => return t,
+        OS => return s,
+        _ => pair_properties(t, s, o_id, ts_sub_region, ts_reg1, ts_reg2, ts_reg3, ts_reg4, ts_reg5, reg),
+    }
+}
+
+#[pyfunction]
+fn hx(h: f64, x: f64, o_id: i32) -> f64 {
+    if h > H_MAX4 || h < H_MIN4 || x > 1.0 || x < 0.0 {
+        return INVALID_VALUE as f64;
+    }
+    match o_id {
+        OH => return h,
+        OX => return x,
+        _ => hx_reg4(h, x, o_id),
+    }
+}
+
+#[pyfunction]
+fn sx(s: f64, x: f64, o_id: i32) -> f64 {
+    if s > S_MAX4 || s < S_MIN4 || x > 1.0 || x < 0.0 {
+        return INVALID_VALUE as f64;
+    }
+    match o_id {
+        OS => return s,
+        OX => return x,
+        _ => sx_reg4(s, x, o_id),
+    }
+}
+
+#[pymodule]
+fn seuif97(_py: Python<'_>, m: &PyModule) -> PyResult<()> {
+    m.add_function(wrap_pyfunction!(pt, m)?)?;
+    m.add_function(wrap_pyfunction!(ph, m)?)?;
+    m.add_function(wrap_pyfunction!(ps, m)?)?;
+    m.add_function(wrap_pyfunction!(pv, m)?)?;
+
+    m.add_function(wrap_pyfunction!(tv, m)?)?;
+    m.add_function(wrap_pyfunction!(th, m)?)?;
+    m.add_function(wrap_pyfunction!(ts, m)?)?;
+
+    m.add_function(wrap_pyfunction!(hs, m)?)?;
+
+    m.add_function(wrap_pyfunction!(px, m)?)?;
+    m.add_function(wrap_pyfunction!(tx, m)?)?;
+    m.add_function(wrap_pyfunction!(hx, m)?)?;
+    m.add_function(wrap_pyfunction!(sx, m)?)?;
+    Ok(())
+}