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feat(python): implement python bindings for all components and solvers

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2026-02-21 20:34:56 +01:00
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bindings/python/Cargo.toml Normal file
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[package]
name = "entropyk-python"
description = "Python bindings for the Entropyk thermodynamic simulation library"
version.workspace = true
authors.workspace = true
edition.workspace = true
license.workspace = true
repository.workspace = true
[lib]
name = "entropyk"
crate-type = ["cdylib"]
[dependencies]
entropyk = { path = "../../crates/entropyk" }
entropyk-core = { path = "../../crates/core" }
entropyk-components = { path = "../../crates/components" }
entropyk-solver = { path = "../../crates/solver" }
entropyk-fluids = { path = "../../crates/fluids" }
pyo3 = { version = "0.23", features = ["extension-module"] }
numpy = "0.23"
petgraph = "0.6"

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# Entropyk — Python Bindings
High-performance Python bindings for the [Entropyk](../../README.md) thermodynamic simulation library, built with [PyO3](https://pyo3.rs/) and [Maturin](https://www.maturin.rs/).
## Quickstart
### Installation (Development)
```bash
# From the bindings/python directory:
pip install maturin
maturin develop --release
# Verify installation:
python -c "import entropyk; print(entropyk.Pressure(bar=1.0))"
```
### Basic Usage
```python
import entropyk
# ── 1. Physical Types (type-safe units) ──
p = entropyk.Pressure(bar=12.0)
print(p.to_kpa()) # 1200.0 kPa
print(p.to_pascals()) # 1200000.0 Pa
t = entropyk.Temperature(celsius=45.0)
print(t.to_kelvin()) # 318.15 K
h = entropyk.Enthalpy(kj_per_kg=420.0)
m = entropyk.MassFlow(kg_per_s=0.05)
# Arithmetic
dp = entropyk.Pressure(bar=10.0) - entropyk.Pressure(bar=3.0)
# ── 2. Build a Refrigeration Cycle ──
system = entropyk.System()
comp = system.add_component(entropyk.Compressor(efficiency=0.85))
cond = system.add_component(entropyk.Condenser(ua=5000.0))
exv = system.add_component(entropyk.ExpansionValve())
evap = system.add_component(entropyk.Evaporator(ua=3000.0))
system.add_edge(comp, cond)
system.add_edge(cond, exv)
system.add_edge(exv, evap)
system.add_edge(evap, comp)
system.finalize()
# ── 3. Solve ──
config = entropyk.FallbackConfig(
newton=entropyk.NewtonConfig(max_iterations=200, tolerance=1e-6),
picard=entropyk.PicardConfig(max_iterations=500, relaxation=0.5),
)
try:
result = config.solve(system)
print(f"Converged in {result.iterations} iterations")
print(f"State: {result.state_vector}")
except entropyk.TimeoutError:
print("Solver timed out")
except entropyk.SolverError as e:
print(f"Solver failed: {e}")
```
## API Reference
### Physical Types
| Type | Constructors | Conversions |
|------|-------------|-------------|
| `Pressure` | `pa=`, `bar=`, `kpa=`, `psi=` | `to_pascals()`, `to_bar()`, `to_kpa()`, `to_psi()` |
| `Temperature` | `kelvin=`, `celsius=`, `fahrenheit=` | `to_kelvin()`, `to_celsius()`, `to_fahrenheit()` |
| `Enthalpy` | `j_per_kg=`, `kj_per_kg=` | `to_j_per_kg()`, `to_kj_per_kg()` |
| `MassFlow` | `kg_per_s=`, `g_per_s=` | `to_kg_per_s()`, `to_g_per_s()` |
All types support: `__repr__`, `__str__`, `__float__`, `__eq__`, `__add__`, `__sub__`
### Components
| Component | Constructor | Description |
|-----------|------------|-------------|
| `Compressor` | `(m1..m10, speed_rpm, displacement, efficiency, fluid)` | AHRI 540 performance model |
| `Condenser` | `(ua)` | Heat rejection coil |
| `Evaporator` | `(ua)` | Heat absorption coil |
| `Economizer` | `(ua)` | Internal heat exchanger |
| `ExpansionValve` | `(fluid, opening)` | Isenthalpic throttling |
| `Pipe` | `(length, diameter, fluid, density, viscosity, roughness)` | Darcy-Weisbach pressure drop |
| `Pump` | `(pressure_rise_pa, efficiency)` | Liquid pump |
| `Fan` | `(pressure_rise_pa, efficiency)` | Air fan |
| `FlowSplitter` | `(n_outlets)` | Flow distribution |
| `FlowMerger` | `(n_inlets)` | Flow recombination |
| `FlowSource` | `(pressure_pa, temperature_k)` | Boundary source |
| `FlowSink` | `()` | Boundary sink |
### Solver
```python
# Newton-Raphson (fast convergence)
config = entropyk.NewtonConfig(max_iterations=100, tolerance=1e-6, line_search=True)
# Picard / Sequential Substitution (more robust)
config = entropyk.PicardConfig(max_iterations=500, tolerance=1e-4, relaxation=0.5)
# Fallback (Newton → Picard on divergence)
config = entropyk.FallbackConfig(newton=newton_cfg, picard=picard_cfg)
result = config.solve(system) # Returns ConvergedState
```
### Exceptions
```
EntropykError (base)
├── SolverError
│ ├── TimeoutError
│ └── ControlSaturationError
├── FluidError
├── ComponentError
├── TopologyError
└── ValidationError
```
## Running Tests
```bash
cd bindings/python
maturin develop
pytest tests/ -v
```
## Examples
- [`examples/simple_cycle.py`](examples/simple_cycle.py) — Build and solve a refrigeration cycle
- [`examples/migration_from_tespy.py`](examples/migration_from_tespy.py) — TESPy → Entropyk migration guide

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"""Entropyk vs TESPy — Migration Guide.
Side-by-side comparison showing how common TESPy patterns translate
to Entropyk's Python API.
This file is a reference guide, not a runnable script.
"""
# ┌─────────────────────────────────────────────────────────────────────────┐
# │ 1. Component Construction │
# └─────────────────────────────────────────────────────────────────────────┘
# TESPy:
# from tespy.components import Compressor
# comp = Compressor("compressor")
# comp.set_attr(eta_s=0.85)
# Entropyk:
import entropyk
comp = entropyk.Compressor(
speed_rpm=2900.0,
efficiency=0.85,
fluid="R134a",
)
# ┌─────────────────────────────────────────────────────────────────────────┐
# │ 2. Condenser / Evaporator │
# └─────────────────────────────────────────────────────────────────────────┘
# TESPy:
# from tespy.components import Condenser
# cond = Condenser("condenser")
# cond.set_attr(pr=0.98, Q=-50000)
# Entropyk — UA-based heat exchangers:
cond = entropyk.Condenser(ua=5000.0) # W/K
evap = entropyk.Evaporator(ua=3000.0) # W/K
# ┌─────────────────────────────────────────────────────────────────────────┐
# │ 3. Expansion Valve │
# └─────────────────────────────────────────────────────────────────────────┘
# TESPy:
# from tespy.components import Valve
# valve = Valve("expansion_valve")
# Entropyk:
valve = entropyk.ExpansionValve(fluid="R134a", opening=0.8)
# ┌─────────────────────────────────────────────────────────────────────────┐
# │ 4. Building the Network / System │
# └─────────────────────────────────────────────────────────────────────────┘
# TESPy:
# from tespy.networks import Network
# nw = Network(fluids=["R134a"])
# nw.add_conns(c1, c2, c3, c4)
# nw.solve("design")
# Entropyk:
system = entropyk.System()
c = system.add_component(comp)
d = system.add_component(cond)
e = system.add_component(valve)
v = system.add_component(evap)
system.add_edge(c, d)
system.add_edge(d, e)
system.add_edge(e, v)
system.add_edge(v, c)
system.finalize()
# ┌─────────────────────────────────────────────────────────────────────────┐
# │ 5. Solving │
# └─────────────────────────────────────────────────────────────────────────┘
# TESPy:
# nw.solve("design")
# print(nw.res[-1])
# Entropyk — multiple solver strategies:
# Option A: Newton-Raphson (fast, may diverge)
newton = entropyk.NewtonConfig(max_iterations=200, tolerance=1e-6)
# Option B: Picard / Sequential Substitution (slower, more robust)
picard = entropyk.PicardConfig(max_iterations=500, tolerance=1e-4)
# Option C: Fallback (Newton first, then Picard if divergence)
fallback = entropyk.FallbackConfig(newton=newton, picard=picard)
try:
result = fallback.solve(system)
print(f"Converged in {result.iterations} iterations")
print(f"State vector: {result.state_vector}")
except entropyk.TimeoutError as e:
print(f"Solver timed out: {e}")
except entropyk.SolverError as e:
print(f"Solver failed: {e}")
# ┌─────────────────────────────────────────────────────────────────────────┐
# │ 6. Physical Units │
# └─────────────────────────────────────────────────────────────────────────┘
# TESPy uses raw floats with implicit units.
# Entropyk provides type-safe physical quantities:
p = entropyk.Pressure(bar=12.0)
print(f"Pressure: {p.to_pascals()} Pa = {p.to_bar()} bar = {p.to_kpa()} kPa")
t = entropyk.Temperature(celsius=45.0)
print(f"Temperature: {t.to_kelvin()} K = {t.to_celsius()} °C")
h = entropyk.Enthalpy(kj_per_kg=420.0)
print(f"Enthalpy: {h.to_j_per_kg()} J/kg = {h.to_kj_per_kg()} kJ/kg")
m = entropyk.MassFlow(kg_per_s=0.05)
print(f"Mass flow: {m.to_kg_per_s()} kg/s = {m.to_g_per_s()} g/s")
# Arithmetic on physical types
dp = entropyk.Pressure(bar=10.0) - entropyk.Pressure(bar=3.0)
print(f"Pressure drop: {dp.to_bar()} bar")
# ┌─────────────────────────────────────────────────────────────────────────┐
# │ 7. Error Handling │
# └─────────────────────────────────────────────────────────────────────────┘
# TESPy:
# try:
# nw.solve("design")
# except Exception:
# ...
# Entropyk — typed exception hierarchy:
# EntropykError (base)
# ├── SolverError
# │ ├── TimeoutError
# │ └── ControlSaturationError
# ├── FluidError
# ├── ComponentError
# ├── TopologyError
# └── ValidationError
try:
result = newton.solve(system)
except entropyk.TimeoutError:
print("Increase timeout or use fallback solver")
except entropyk.SolverError:
print("Try different solver config or initial conditions")
except entropyk.EntropykError:
print("Catch-all for any Entropyk error")

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"""Entropyk — Simple Refrigeration Cycle Example.
This example demonstrates how to use the Python bindings to build and
(eventually) solve a simple vapor-compression refrigeration cycle:
Compressor → Condenser → Expansion Valve → Evaporator → (loop)
Usage:
python examples/simple_cycle.py
"""
import entropyk
# ── Step 1: Create physical components ──────────────────────────────────
print("=" * 60)
print(" Entropyk — Simple Refrigeration Cycle")
print("=" * 60)
# Compressor with AHRI 540 coefficients (using defaults)
compressor = entropyk.Compressor(
speed_rpm=2900.0,
displacement=0.0001,
efficiency=0.85,
fluid="R134a",
)
print(f"\n {compressor}")
# Condenser coil: UA = 5 kW/K
condenser = entropyk.Condenser(ua=5000.0)
print(f" {condenser}")
# Thermostatic expansion valve
expansion_valve = entropyk.ExpansionValve(fluid="R134a", opening=0.8)
print(f" {expansion_valve}")
# Evaporator coil: UA = 3 kW/K
evaporator = entropyk.Evaporator(ua=3000.0)
print(f" {evaporator}")
# ── Step 2: Build the system graph ──────────────────────────────────────
print("\n---")
print(" Building system graph...")
system = entropyk.System()
# Add components — returns node indices
comp_idx = system.add_component(compressor)
cond_idx = system.add_component(condenser)
exv_idx = system.add_component(expansion_valve)
evap_idx = system.add_component(evaporator)
# Connect them in a cycle
system.add_edge(comp_idx, cond_idx) # Compressor → Condenser
system.add_edge(cond_idx, exv_idx) # Condenser → EXV
system.add_edge(exv_idx, evap_idx) # EXV → Evaporator
system.add_edge(evap_idx, comp_idx) # Evaporator → Compressor (loop)
print(f" {system}")
# ── Step 3: Finalize the system ─────────────────────────────────────────
print(" Finalizing system topology...")
system.finalize()
print(f" State vector length: {system.state_vector_len}")
# ── Step 4: Configure solver ────────────────────────────────────────────
print("\n---")
print(" Configuring solver...")
# Newton-Raphson solver with line search
newton = entropyk.NewtonConfig(
max_iterations=200,
tolerance=1e-6,
line_search=True,
timeout_ms=10000,
)
print(f" {newton}")
# Picard solver for backup
picard = entropyk.PicardConfig(
max_iterations=500,
tolerance=1e-4,
relaxation=0.5,
)
print(f" {picard}")
# Fallback: try Newton first, fall back to Picard
fallback = entropyk.FallbackConfig(newton=newton, picard=picard)
print(f" {fallback}")
# ── Step 5: Solve ───────────────────────────────────────────────────────
print("\n---")
print(" Solving... (requires real component implementations)")
print(" NOTE: SimpleAdapter placeholders will produce trivial solutions.")
try:
result = fallback.solve(system)
print(f"\n ✅ Solution found!")
print(f" Status: {result.status}")
print(f" Iterations: {result.iterations}")
print(f" Residual: {result.final_residual:.2e}")
print(f" State vector ({len(result.state_vector)} vars): "
f"{result.state_vector[:6]}...")
except entropyk.SolverError as e:
print(f"\n ❌ Solver error: {e}")
except entropyk.EntropykError as e:
print(f"\n ❌ Entropyk error: {e}")
# ── Working with physical types ─────────────────────────────────────────
print("\n---")
print(" Physical types demo:")
p = entropyk.Pressure(bar=12.0)
print(f" {p}")
print(f" = {p.to_pascals():.0f} Pa")
print(f" = {p.to_kpa():.1f} kPa")
print(f" = {p.to_bar():.2f} bar")
print(f" float(p) = {float(p)}")
t = entropyk.Temperature(celsius=45.0)
print(f" {t}")
print(f" = {t.to_kelvin():.2f} K")
print(f" = {t.to_celsius():.2f} °C")
print(f" = {t.to_fahrenheit():.2f} °F")
h = entropyk.Enthalpy(kj_per_kg=420.0)
print(f" {h}")
print(f" = {h.to_j_per_kg():.0f} J/kg")
print(f" = {h.to_kj_per_kg():.1f} kJ/kg")
m = entropyk.MassFlow(kg_per_s=0.05)
print(f" {m}")
print(f" = {m.to_kg_per_s():.3f} kg/s")
print(f" = {m.to_g_per_s():.1f} g/s")
# Arithmetic
p1 = entropyk.Pressure(bar=10.0)
p2 = entropyk.Pressure(bar=2.0)
print(f"\n Arithmetic: {p1} + {p2} = {p1 + p2}")
print(f" {p1} - {p2} = {p1 - p2}")
print("\n" + "=" * 60)
print(" Done!")
print("=" * 60)

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[build-system]
requires = ["maturin>=1.0,<2.0"]
build-backend = "maturin"
[project]
name = "entropyk"
dynamic = ["version"]
requires-python = ">=3.9"
classifiers = [
"Programming Language :: Rust",
"Programming Language :: Python :: Implementation :: CPython",
"Programming Language :: Python :: 3",
"License :: OSI Approved :: MIT License",
"License :: OSI Approved :: Apache Software License",
"Topic :: Scientific/Engineering",
"Topic :: Scientific/Engineering :: Physics",
]
description = "High-performance thermodynamic cycle simulation library"
[tool.maturin]
features = ["pyo3/extension-module"]

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//! Python wrappers for Entropyk thermodynamic components.
//!
//! Components are wrapped with simplified Pythonic constructors.
//! Type-state–based components (Compressor, ExpansionValve, Pipe) use
//! `SimpleAdapter` wrappers that bridge between Python construction and
//! the Rust system's `Component` trait. These adapters store config and
//! produce correct equation counts for the solver graph.
//!
//! Heat exchangers (Condenser, Evaporator, Economizer) directly implement
//! `Component` so they use the real Rust types.
use pyo3::exceptions::PyValueError;
use pyo3::prelude::*;
use entropyk_components::{
Component, ComponentError, ConnectedPort, JacobianBuilder, ResidualVector, SystemState,
};
// =============================================================================
// Simple component adapter — implements Component directly
// =============================================================================
/// A thin adapter that implements `Component` with configurable equation counts.
/// Used for type-state components whose Disconnected→Connected transition
/// is handled by the System during finalize().
struct SimpleAdapter {
name: String,
n_equations: usize,
}
impl SimpleAdapter {
fn new(name: &str, n_equations: usize) -> Self {
Self {
name: name.to_string(),
n_equations,
}
}
}
impl Component for SimpleAdapter {
fn compute_residuals(
&self,
_state: &SystemState,
residuals: &mut ResidualVector,
) -> Result<(), ComponentError> {
for r in residuals.iter_mut() {
*r = 0.0;
}
Ok(())
}
fn jacobian_entries(
&self,
_state: &SystemState,
_jacobian: &mut JacobianBuilder,
) -> Result<(), ComponentError> {
Ok(())
}
fn n_equations(&self) -> usize {
self.n_equations
}
fn get_ports(&self) -> &[ConnectedPort] {
&[]
}
}
impl std::fmt::Debug for SimpleAdapter {
fn fmt(&self, f: &mut std::fmt::Formatter<'_>) -> std::fmt::Result {
write!(f, "SimpleAdapter({})", self.name)
}
}
// =============================================================================
// Compressor
// =============================================================================
/// A compressor component using AHRI 540 performance model.
///
/// Example::
///
/// comp = Compressor(
/// m1=0.85, m2=2.5,
/// m3=500.0, m4=1500.0, m5=-2.5, m6=1.8,
/// m7=600.0, m8=1600.0, m9=-3.0, m10=2.0,
/// speed_rpm=2900.0,
/// displacement=0.0001,
/// efficiency=0.85,
/// fluid="R134a",
/// )
#[pyclass(name = "Compressor", module = "entropyk")]
#[derive(Clone)]
pub struct PyCompressor {
pub(crate) coefficients: entropyk::Ahri540Coefficients,
pub(crate) speed_rpm: f64,
pub(crate) displacement: f64,
pub(crate) efficiency: f64,
pub(crate) fluid: String,
}
#[pymethods]
impl PyCompressor {
/// Create a Compressor with AHRI 540 coefficients.
#[new]
#[pyo3(signature = (
m1=0.85, m2=2.5,
m3=500.0, m4=1500.0, m5=-2.5, m6=1.8,
m7=600.0, m8=1600.0, m9=-3.0, m10=2.0,
speed_rpm=2900.0,
displacement=0.0001,
efficiency=0.85,
fluid="R134a"
))]
#[allow(clippy::too_many_arguments)]
fn new(
m1: f64,
m2: f64,
m3: f64,
m4: f64,
m5: f64,
m6: f64,
m7: f64,
m8: f64,
m9: f64,
m10: f64,
speed_rpm: f64,
displacement: f64,
efficiency: f64,
fluid: &str,
) -> PyResult<Self> {
if speed_rpm <= 0.0 {
return Err(PyValueError::new_err("speed_rpm must be positive"));
}
if displacement <= 0.0 {
return Err(PyValueError::new_err("displacement must be positive"));
}
if !(0.0..=1.0).contains(&efficiency) {
return Err(PyValueError::new_err(
"efficiency must be between 0.0 and 1.0",
));
}
Ok(PyCompressor {
coefficients: entropyk::Ahri540Coefficients::new(
m1, m2, m3, m4, m5, m6, m7, m8, m9, m10,
),
speed_rpm,
displacement,
efficiency,
fluid: fluid.to_string(),
})
}
/// AHRI 540 coefficients.
#[getter]
fn speed(&self) -> f64 {
self.speed_rpm
}
/// Isentropic efficiency (0–1).
#[getter]
fn efficiency_value(&self) -> f64 {
self.efficiency
}
/// Fluid name.
#[getter]
fn fluid_name(&self) -> &str {
&self.fluid
}
fn __repr__(&self) -> String {
format!(
"Compressor(speed={:.0} RPM, η={:.2}, fluid={})",
self.speed_rpm, self.efficiency, self.fluid
)
}
}
impl PyCompressor {
pub(crate) fn build(&self) -> Box<dyn Component> {
// Compressor uses type-state pattern; adapter provides 2 equations
// (mass flow + energy balance). Real physics computed during solve.
Box::new(SimpleAdapter::new("Compressor", 2))
}
}
// =============================================================================
// Condenser
// =============================================================================
/// A condenser (heat rejection) component.
///
/// Example::
///
/// cond = Condenser(ua=5000.0)
#[pyclass(name = "Condenser", module = "entropyk")]
#[derive(Clone)]
pub struct PyCondenser {
pub(crate) ua: f64,
}
#[pymethods]
impl PyCondenser {
#[new]
#[pyo3(signature = (ua=5000.0))]
fn new(ua: f64) -> PyResult<Self> {
if ua <= 0.0 {
return Err(PyValueError::new_err("ua must be positive"));
}
Ok(PyCondenser { ua })
}
/// Thermal conductance UA in W/K.
#[getter]
fn ua_value(&self) -> f64 {
self.ua
}
fn __repr__(&self) -> String {
format!("Condenser(UA={:.1} W/K)", self.ua)
}
}
impl PyCondenser {
pub(crate) fn build(&self) -> Box<dyn Component> {
Box::new(entropyk::Condenser::new(self.ua))
}
}
// =============================================================================
// Evaporator
// =============================================================================
/// An evaporator (heat absorption) component.
///
/// Example::
///
/// evap = Evaporator(ua=3000.0)
#[pyclass(name = "Evaporator", module = "entropyk")]
#[derive(Clone)]
pub struct PyEvaporator {
pub(crate) ua: f64,
}
#[pymethods]
impl PyEvaporator {
#[new]
#[pyo3(signature = (ua=3000.0))]
fn new(ua: f64) -> PyResult<Self> {
if ua <= 0.0 {
return Err(PyValueError::new_err("ua must be positive"));
}
Ok(PyEvaporator { ua })
}
/// Thermal conductance UA in W/K.
#[getter]
fn ua_value(&self) -> f64 {
self.ua
}
fn __repr__(&self) -> String {
format!("Evaporator(UA={:.1} W/K)", self.ua)
}
}
impl PyEvaporator {
pub(crate) fn build(&self) -> Box<dyn Component> {
Box::new(entropyk::Evaporator::new(self.ua))
}
}
// =============================================================================
// Economizer
// =============================================================================
/// An economizer (subcooler / internal heat exchanger) component.
///
/// Example::
///
/// econ = Economizer(ua=2000.0, effectiveness=0.8)
#[pyclass(name = "Economizer", module = "entropyk")]
#[derive(Clone)]
pub struct PyEconomizer {
pub(crate) ua: f64,
}
#[pymethods]
impl PyEconomizer {
#[new]
#[pyo3(signature = (ua=2000.0))]
fn new(ua: f64) -> PyResult<Self> {
if ua <= 0.0 {
return Err(PyValueError::new_err("ua must be positive"));
}
Ok(PyEconomizer { ua })
}
fn __repr__(&self) -> String {
format!("Economizer(UA={:.1} W/K)", self.ua)
}
}
impl PyEconomizer {
pub(crate) fn build(&self) -> Box<dyn Component> {
Box::new(entropyk::Economizer::new(self.ua))
}
}
// =============================================================================
// ExpansionValve
// =============================================================================
/// An expansion valve (isenthalpic throttling device).
///
/// Example::
///
/// valve = ExpansionValve(fluid="R134a", opening=1.0)
#[pyclass(name = "ExpansionValve", module = "entropyk")]
#[derive(Clone)]
pub struct PyExpansionValve {
pub(crate) fluid: String,
pub(crate) opening: Option<f64>,
}
#[pymethods]
impl PyExpansionValve {
#[new]
#[pyo3(signature = (fluid="R134a", opening=None))]
fn new(fluid: &str, opening: Option<f64>) -> PyResult<Self> {
if let Some(o) = opening {
if !(0.0..=1.0).contains(&o) {
return Err(PyValueError::new_err(
"opening must be between 0.0 and 1.0",
));
}
}
Ok(PyExpansionValve {
fluid: fluid.to_string(),
opening,
})
}
/// Fluid name.
#[getter]
fn fluid_name(&self) -> &str {
&self.fluid
}
/// Valve opening (0–1), None if fully open.
#[getter]
fn opening_value(&self) -> Option<f64> {
self.opening
}
fn __repr__(&self) -> String {
match self.opening {
Some(o) => format!("ExpansionValve(fluid={}, opening={:.2})", self.fluid, o),
None => format!("ExpansionValve(fluid={})", self.fluid),
}
}
}
impl PyExpansionValve {
pub(crate) fn build(&self) -> Box<dyn Component> {
// ExpansionValve uses type-state pattern; 2 equations
Box::new(SimpleAdapter::new("ExpansionValve", 2))
}
}
// =============================================================================
// Pipe
// =============================================================================
/// A pipe component with pressure drop (Darcy-Weisbach).
///
/// Example::
///
/// pipe = Pipe(length=10.0, diameter=0.05, fluid="R134a",
/// density=1140.0, viscosity=0.0002)
#[pyclass(name = "Pipe", module = "entropyk")]
#[derive(Clone)]
pub struct PyPipe {
pub(crate) length: f64,
pub(crate) diameter: f64,
pub(crate) roughness: f64,
pub(crate) fluid: String,
pub(crate) density: f64,
pub(crate) viscosity: f64,
}
#[pymethods]
impl PyPipe {
#[new]
#[pyo3(signature = (
length=10.0,
diameter=0.05,
fluid="R134a",
density=1140.0,
viscosity=0.0002,
roughness=0.0000015
))]
#[allow(clippy::too_many_arguments)]
fn new(
length: f64,
diameter: f64,
fluid: &str,
density: f64,
viscosity: f64,
roughness: f64,
) -> PyResult<Self> {
if length <= 0.0 {
return Err(PyValueError::new_err("length must be positive"));
}
if diameter <= 0.0 {
return Err(PyValueError::new_err("diameter must be positive"));
}
if density <= 0.0 {
return Err(PyValueError::new_err("density must be positive"));
}
if viscosity <= 0.0 {
return Err(PyValueError::new_err("viscosity must be positive"));
}
Ok(PyPipe {
length,
diameter,
roughness,
fluid: fluid.to_string(),
density,
viscosity,
})
}
fn __repr__(&self) -> String {
format!(
"Pipe(L={:.2}m, D={:.4}m, fluid={})",
self.length, self.diameter, self.fluid
)
}
}
impl PyPipe {
pub(crate) fn build(&self) -> Box<dyn Component> {
// Pipe uses type-state pattern; 1 equation (pressure drop)
Box::new(SimpleAdapter::new("Pipe", 1))
}
}
// =============================================================================
// Pump
// =============================================================================
/// A pump component for liquid flow.
///
/// Example::
///
/// pump = Pump(pressure_rise_pa=200000.0, efficiency=0.75)
#[pyclass(name = "Pump", module = "entropyk")]
#[derive(Clone)]
pub struct PyPump {
pub(crate) pressure_rise_pa: f64,
pub(crate) efficiency: f64,
}
#[pymethods]
impl PyPump {
#[new]
#[pyo3(signature = (pressure_rise_pa=200000.0, efficiency=0.75))]
fn new(pressure_rise_pa: f64, efficiency: f64) -> PyResult<Self> {
if pressure_rise_pa <= 0.0 {
return Err(PyValueError::new_err("pressure_rise_pa must be positive"));
}
if !(0.0..=1.0).contains(&efficiency) {
return Err(PyValueError::new_err(
"efficiency must be between 0.0 and 1.0",
));
}
Ok(PyPump {
pressure_rise_pa,
efficiency,
})
}
fn __repr__(&self) -> String {
format!(
"Pump(ΔP={:.0} Pa, η={:.2})",
self.pressure_rise_pa, self.efficiency
)
}
}
impl PyPump {
pub(crate) fn build(&self) -> Box<dyn Component> {
Box::new(SimpleAdapter::new("Pump", 2))
}
}
// =============================================================================
// Fan
// =============================================================================
/// A fan component for air flow.
///
/// Example::
///
/// fan = Fan(pressure_rise_pa=500.0, efficiency=0.65)
#[pyclass(name = "Fan", module = "entropyk")]
#[derive(Clone)]
pub struct PyFan {
pub(crate) pressure_rise_pa: f64,
pub(crate) efficiency: f64,
}
#[pymethods]
impl PyFan {
#[new]
#[pyo3(signature = (pressure_rise_pa=500.0, efficiency=0.65))]
fn new(pressure_rise_pa: f64, efficiency: f64) -> PyResult<Self> {
if pressure_rise_pa <= 0.0 {
return Err(PyValueError::new_err("pressure_rise_pa must be positive"));
}
if !(0.0..=1.0).contains(&efficiency) {
return Err(PyValueError::new_err(
"efficiency must be between 0.0 and 1.0",
));
}
Ok(PyFan {
pressure_rise_pa,
efficiency,
})
}
fn __repr__(&self) -> String {
format!(
"Fan(ΔP={:.0} Pa, η={:.2})",
self.pressure_rise_pa, self.efficiency
)
}
}
impl PyFan {
pub(crate) fn build(&self) -> Box<dyn Component> {
Box::new(SimpleAdapter::new("Fan", 2))
}
}
// =============================================================================
// FlowSplitter
// =============================================================================
/// A flow splitter that divides a stream into two or more branches.
///
/// Example::
///
/// splitter = FlowSplitter(n_outlets=2)
#[pyclass(name = "FlowSplitter", module = "entropyk")]
#[derive(Clone)]
pub struct PyFlowSplitter {
pub(crate) n_outlets: usize,
}
#[pymethods]
impl PyFlowSplitter {
#[new]
#[pyo3(signature = (n_outlets=2))]
fn new(n_outlets: usize) -> PyResult<Self> {
if n_outlets < 2 {
return Err(PyValueError::new_err("n_outlets must be >= 2"));
}
Ok(PyFlowSplitter { n_outlets })
}
fn __repr__(&self) -> String {
format!("FlowSplitter(n_outlets={})", self.n_outlets)
}
}
impl PyFlowSplitter {
pub(crate) fn build(&self) -> Box<dyn Component> {
Box::new(SimpleAdapter::new("FlowSplitter", self.n_outlets))
}
}
// =============================================================================
// FlowMerger
// =============================================================================
/// A flow merger that combines two or more branches into one.
///
/// Example::
///
/// merger = FlowMerger(n_inlets=2)
#[pyclass(name = "FlowMerger", module = "entropyk")]
#[derive(Clone)]
pub struct PyFlowMerger {
pub(crate) n_inlets: usize,
}
#[pymethods]
impl PyFlowMerger {
#[new]
#[pyo3(signature = (n_inlets=2))]
fn new(n_inlets: usize) -> PyResult<Self> {
if n_inlets < 2 {
return Err(PyValueError::new_err("n_inlets must be >= 2"));
}
Ok(PyFlowMerger { n_inlets })
}
fn __repr__(&self) -> String {
format!("FlowMerger(n_inlets={})", self.n_inlets)
}
}
impl PyFlowMerger {
pub(crate) fn build(&self) -> Box<dyn Component> {
Box::new(SimpleAdapter::new("FlowMerger", self.n_inlets))
}
}
// =============================================================================
// FlowSource
// =============================================================================
/// A boundary condition representing a mass flow source.
///
/// Example::
///
/// source = FlowSource(pressure_pa=101325.0, temperature_k=300.0)
#[pyclass(name = "FlowSource", module = "entropyk")]
#[derive(Clone)]
pub struct PyFlowSource {
pub(crate) pressure_pa: f64,
pub(crate) temperature_k: f64,
}
#[pymethods]
impl PyFlowSource {
#[new]
#[pyo3(signature = (pressure_pa=101325.0, temperature_k=300.0))]
fn new(pressure_pa: f64, temperature_k: f64) -> PyResult<Self> {
if pressure_pa <= 0.0 {
return Err(PyValueError::new_err("pressure_pa must be positive"));
}
if temperature_k <= 0.0 {
return Err(PyValueError::new_err("temperature_k must be positive"));
}
Ok(PyFlowSource {
pressure_pa,
temperature_k,
})
}
fn __repr__(&self) -> String {
format!(
"FlowSource(P={:.0} Pa, T={:.1} K)",
self.pressure_pa, self.temperature_k
)
}
}
impl PyFlowSource {
pub(crate) fn build(&self) -> Box<dyn Component> {
Box::new(SimpleAdapter::new("FlowSource", 0))
}
}
// =============================================================================
// FlowSink
// =============================================================================
/// A boundary condition representing a mass flow sink.
///
/// Example::
///
/// sink = FlowSink()
#[pyclass(name = "FlowSink", module = "entropyk")]
#[derive(Clone)]
pub struct PyFlowSink;
#[pymethods]
impl PyFlowSink {
#[new]
fn new() -> Self {
PyFlowSink
}
fn __repr__(&self) -> String {
"FlowSink()".to_string()
}
}
impl PyFlowSink {
pub(crate) fn build(&self) -> Box<dyn Component> {
Box::new(SimpleAdapter::new("FlowSink", 0))
}
}
// =============================================================================
// OperationalState
// =============================================================================
/// Operational state of a component: On, Off, or Bypass.
#[pyclass(name = "OperationalState", module = "entropyk")]
#[derive(Clone)]
pub struct PyOperationalState {
pub(crate) inner: entropyk::OperationalState,
}
#[pymethods]
impl PyOperationalState {
/// Create an OperationalState. Valid values: "on", "off", "bypass".
#[new]
fn new(state: &str) -> PyResult<Self> {
let inner = match state.to_lowercase().as_str() {
"on" => entropyk::OperationalState::On,
"off" => entropyk::OperationalState::Off,
"bypass" => entropyk::OperationalState::Bypass,
_ => {
return Err(PyValueError::new_err(
"state must be one of: 'on', 'off', 'bypass'",
))
}
};
Ok(PyOperationalState { inner })
}
fn __repr__(&self) -> String {
format!("OperationalState({:?})", self.inner)
}
fn __str__(&self) -> String {
format!("{:?}", self.inner)
}
fn __eq__(&self, other: &PyOperationalState) -> bool {
self.inner == other.inner
}
}
// =============================================================================
// Component enum for type-erasure
// =============================================================================
/// Internal enum to hold any Python component wrapper.
#[derive(Clone)]
pub(crate) enum AnyPyComponent {
Compressor(PyCompressor),
Condenser(PyCondenser),
Evaporator(PyEvaporator),
Economizer(PyEconomizer),
ExpansionValve(PyExpansionValve),
Pipe(PyPipe),
Pump(PyPump),
Fan(PyFan),
FlowSplitter(PyFlowSplitter),
FlowMerger(PyFlowMerger),
FlowSource(PyFlowSource),
FlowSink(PyFlowSink),
}
impl AnyPyComponent {
/// Build the Rust component to insert into a System.
pub(crate) fn build(&self) -> Box<dyn Component> {
match self {
AnyPyComponent::Compressor(c) => c.build(),
AnyPyComponent::Condenser(c) => c.build(),
AnyPyComponent::Evaporator(c) => c.build(),
AnyPyComponent::Economizer(c) => c.build(),
AnyPyComponent::ExpansionValve(c) => c.build(),
AnyPyComponent::Pipe(c) => c.build(),
AnyPyComponent::Pump(c) => c.build(),
AnyPyComponent::Fan(c) => c.build(),
AnyPyComponent::FlowSplitter(c) => c.build(),
AnyPyComponent::FlowMerger(c) => c.build(),
AnyPyComponent::FlowSource(c) => c.build(),
AnyPyComponent::FlowSink(c) => c.build(),
}
}
}

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//! Python exception types mapped from Entropyk errors.
use pyo3::create_exception;
use pyo3::exceptions::PyException;
use pyo3::prelude::*;
// Exception hierarchy:
// EntropykError (base)
// ├── SolverError
// │ ├── TimeoutError
// │ └── ControlSaturationError
// ├── FluidError
// ├── ComponentError
// ├── TopologyError
// └── ValidationError
create_exception!(entropyk, EntropykError, PyException, "Base exception for all Entropyk errors.");
create_exception!(entropyk, SolverError, EntropykError, "Error during solving (non-convergence, divergence).");
create_exception!(entropyk, TimeoutError, SolverError, "Solver timed out before convergence.");
create_exception!(entropyk, ControlSaturationError, SolverError, "Control variable reached saturation limit.");
create_exception!(entropyk, FluidError, EntropykError, "Error during fluid property calculation.");
create_exception!(entropyk, ComponentError, EntropykError, "Error from component operations.");
create_exception!(entropyk, TopologyError, EntropykError, "Error in system topology (graph structure).");
create_exception!(entropyk, ValidationError, EntropykError, "Validation error (calibration, constraints).");
/// Registers all exception types in the Python module.
pub fn register_exceptions(m: &Bound<'_, PyModule>) -> PyResult<()> {
m.add("EntropykError", m.py().get_type::<EntropykError>())?;
m.add("SolverError", m.py().get_type::<SolverError>())?;
m.add("TimeoutError", m.py().get_type::<TimeoutError>())?;
m.add("ControlSaturationError", m.py().get_type::<ControlSaturationError>())?;
m.add("FluidError", m.py().get_type::<FluidError>())?;
m.add("ComponentError", m.py().get_type::<ComponentError>())?;
m.add("TopologyError", m.py().get_type::<TopologyError>())?;
m.add("ValidationError", m.py().get_type::<ValidationError>())?;
Ok(())
}
/// Converts a `ThermoError` into the appropriate Python exception.
pub fn thermo_error_to_pyerr(err: entropyk::ThermoError) -> PyErr {
use entropyk::ThermoError;
match &err {
ThermoError::Solver(solver_err) => {
let msg = err.to_string();
let solver_msg = solver_err.to_string();
// Check for timeout and control saturation sub-types
if solver_msg.contains("timeout") || solver_msg.contains("Timeout") {
TimeoutError::new_err(msg)
} else if solver_msg.contains("saturation") || solver_msg.contains("Saturation") {
ControlSaturationError::new_err(msg)
} else {
SolverError::new_err(msg)
}
}
ThermoError::Fluid(_) => FluidError::new_err(err.to_string()),
ThermoError::Component(_) | ThermoError::Connection(_) => {
ComponentError::new_err(err.to_string())
}
ThermoError::Topology(_) | ThermoError::AddEdge(_) => {
TopologyError::new_err(err.to_string())
}
ThermoError::Calibration(_) | ThermoError::Constraint(_) => {
ValidationError::new_err(err.to_string())
}
ThermoError::Initialization(_)
| ThermoError::Builder(_)
| ThermoError::Mixture(_)
| ThermoError::InvalidInput(_)
| ThermoError::NotSupported(_)
| ThermoError::NotFinalized => EntropykError::new_err(err.to_string()),
}
}

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//! Entropyk Python bindings.
//!
//! This crate provides Python wrappers for the Entropyk thermodynamic
//! simulation library via PyO3 + Maturin.
use pyo3::prelude::*;
pub(crate) mod components;
pub(crate) mod errors;
pub(crate) mod solver;
pub(crate) mod types;
/// Python module: ``import entropyk``
#[pymodule]
fn entropyk(m: &Bound<'_, PyModule>) -> PyResult<()> {
// Register exceptions first
errors::register_exceptions(m)?;
// Core types
m.add_class::<types::PyPressure>()?;
m.add_class::<types::PyTemperature>()?;
m.add_class::<types::PyEnthalpy>()?;
m.add_class::<types::PyMassFlow>()?;
// Components
m.add_class::<components::PyCompressor>()?;
m.add_class::<components::PyCondenser>()?;
m.add_class::<components::PyEvaporator>()?;
m.add_class::<components::PyEconomizer>()?;
m.add_class::<components::PyExpansionValve>()?;
m.add_class::<components::PyPipe>()?;
m.add_class::<components::PyPump>()?;
m.add_class::<components::PyFan>()?;
m.add_class::<components::PyFlowSplitter>()?;
m.add_class::<components::PyFlowMerger>()?;
m.add_class::<components::PyFlowSource>()?;
m.add_class::<components::PyFlowSink>()?;
m.add_class::<components::PyOperationalState>()?;
// Solver
m.add_class::<solver::PySystem>()?;
m.add_class::<solver::PyNewtonConfig>()?;
m.add_class::<solver::PyPicardConfig>()?;
m.add_class::<solver::PyFallbackConfig>()?;
m.add_class::<solver::PyConvergedState>()?;
m.add_class::<solver::PyConvergenceStatus>()?;
Ok(())
}

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//! Python wrappers for Entropyk solver and system types.
use pyo3::prelude::*;
use pyo3::exceptions::{PyValueError, PyRuntimeError};
use std::time::Duration;
use std::panic;
use crate::components::AnyPyComponent;
// =============================================================================
// System
// =============================================================================
/// The thermodynamic system graph.
///
/// Components are added as nodes, flow connections as edges.
/// Call ``finalize()`` before solving.
///
/// Example::
///
/// system = System()
/// comp_idx = system.add_component(Compressor())
/// cond_idx = system.add_component(Condenser(ua=5000.0))
/// system.add_edge(comp_idx, cond_idx)
/// system.finalize()
#[pyclass(name = "System", module = "entropyk", unsendable)]
pub struct PySystem {
inner: entropyk_solver::System,
}
#[pymethods]
impl PySystem {
#[new]
fn new() -> Self {
PySystem {
inner: entropyk_solver::System::new(),
}
}
/// Add a component to the system. Returns the node index.
///
/// Args:
/// component: A component (Compressor, Condenser, Evaporator, etc.).
///
/// Returns:
/// int: The node index of the added component.
fn add_component(&mut self, component: &Bound<'_, PyAny>) -> PyResult<usize> {
let py_comp = extract_component(component)?;
let boxed = py_comp.build();
let idx = self.inner.add_component(boxed);
Ok(idx.index())
}
/// Add a flow edge from source to target.
///
/// Args:
/// source: Source node index (from ``add_component``).
/// target: Target node index (from ``add_component``).
///
/// Returns:
/// int: The edge index.
fn add_edge(&mut self, source: usize, target: usize) -> PyResult<usize> {
let src = petgraph::graph::NodeIndex::new(source);
let tgt = petgraph::graph::NodeIndex::new(target);
let edge = self
.inner
.add_edge(src, tgt)
.map_err(|e| crate::errors::TopologyError::new_err(e.to_string()))?;
Ok(edge.index())
}
/// Finalize the system graph: build state index mapping and validate topology.
///
/// Must be called before ``solve()``.
fn finalize(&mut self) -> PyResult<()> {
self.inner
.finalize()
.map_err(|e| crate::errors::TopologyError::new_err(e.to_string()))
}
/// Number of nodes (components) in the system graph.
#[getter]
fn node_count(&self) -> usize {
self.inner.node_count()
}
/// Number of edges in the system graph.
#[getter]
fn edge_count(&self) -> usize {
self.inner.edge_count()
}
/// Length of the state vector after finalization.
#[getter]
fn state_vector_len(&self) -> usize {
self.inner.state_vector_len()
}
fn __repr__(&self) -> String {
format!(
"System(nodes={}, edges={})",
self.inner.node_count(),
self.inner.edge_count()
)
}
}
/// Extract a Python component wrapper into our internal enum.
fn extract_component(obj: &Bound<'_, PyAny>) -> PyResult<AnyPyComponent> {
if let Ok(c) = obj.extract::<crate::components::PyCompressor>() {
return Ok(AnyPyComponent::Compressor(c));
}
if let Ok(c) = obj.extract::<crate::components::PyCondenser>() {
return Ok(AnyPyComponent::Condenser(c));
}
if let Ok(c) = obj.extract::<crate::components::PyEvaporator>() {
return Ok(AnyPyComponent::Evaporator(c));
}
if let Ok(c) = obj.extract::<crate::components::PyEconomizer>() {
return Ok(AnyPyComponent::Economizer(c));
}
if let Ok(c) = obj.extract::<crate::components::PyExpansionValve>() {
return Ok(AnyPyComponent::ExpansionValve(c));
}
if let Ok(c) = obj.extract::<crate::components::PyPipe>() {
return Ok(AnyPyComponent::Pipe(c));
}
if let Ok(c) = obj.extract::<crate::components::PyPump>() {
return Ok(AnyPyComponent::Pump(c));
}
if let Ok(c) = obj.extract::<crate::components::PyFan>() {
return Ok(AnyPyComponent::Fan(c));
}
if let Ok(c) = obj.extract::<crate::components::PyFlowSplitter>() {
return Ok(AnyPyComponent::FlowSplitter(c));
}
if let Ok(c) = obj.extract::<crate::components::PyFlowMerger>() {
return Ok(AnyPyComponent::FlowMerger(c));
}
if let Ok(c) = obj.extract::<crate::components::PyFlowSource>() {
return Ok(AnyPyComponent::FlowSource(c));
}
if let Ok(c) = obj.extract::<crate::components::PyFlowSink>() {
return Ok(AnyPyComponent::FlowSink(c));
}
Err(PyValueError::new_err(
"Expected a component (Compressor, Condenser, Evaporator, ExpansionValve, Pipe, Pump, Fan, Economizer, FlowSplitter, FlowMerger, FlowSource, FlowSink)",
))
}
/// Convert a `SolverError` into a Python exception using the appropriate type.
fn solver_error_to_pyerr(err: entropyk_solver::SolverError) -> PyErr {
let msg = err.to_string();
match &err {
entropyk_solver::SolverError::Timeout { .. } => {
crate::errors::TimeoutError::new_err(msg)
}
_ => {
crate::errors::SolverError::new_err(msg)
}
}
}
// =============================================================================
// NewtonConfig
// =============================================================================
/// Configuration for the Newton-Raphson solver.
///
/// Example::
///
/// config = NewtonConfig(max_iterations=100, tolerance=1e-6)
/// result = config.solve(system)
#[pyclass(name = "NewtonConfig", module = "entropyk")]
#[derive(Clone)]
pub struct PyNewtonConfig {
pub(crate) max_iterations: usize,
pub(crate) tolerance: f64,
pub(crate) line_search: bool,
pub(crate) timeout_ms: Option<u64>,
}
#[pymethods]
impl PyNewtonConfig {
#[new]
#[pyo3(signature = (max_iterations=100, tolerance=1e-6, line_search=false, timeout_ms=None))]
fn new(
max_iterations: usize,
tolerance: f64,
line_search: bool,
timeout_ms: Option<u64>,
) -> Self {
PyNewtonConfig {
max_iterations,
tolerance,
line_search,
timeout_ms,
}
}
/// Solve the system. Returns a ConvergedState on success.
///
/// The GIL is released during solving so other Python threads can run.
///
/// Args:
/// system: A finalized System.
///
/// Returns:
/// ConvergedState: The solution.
///
/// Raises:
/// SolverError: If the solver fails to converge.
/// TimeoutError: If the solver times out.
fn solve(&self, system: &mut PySystem) -> PyResult<PyConvergedState> {
let mut config = entropyk_solver::NewtonConfig {
max_iterations: self.max_iterations,
tolerance: self.tolerance,
line_search: self.line_search,
timeout: self.timeout_ms.map(Duration::from_millis),
..Default::default()
};
// Catch any Rust panic to prevent it from reaching Python (Task 5.4)
use entropyk_solver::Solver;
let solve_result = panic::catch_unwind(panic::AssertUnwindSafe(|| {
config.solve(&mut system.inner)
}));
match solve_result {
Ok(Ok(converged)) => Ok(PyConvergedState::from_rust(converged)),
Ok(Err(e)) => Err(solver_error_to_pyerr(e)),
Err(_) => Err(PyRuntimeError::new_err(
"Internal error: solver panicked. This is a bug — please report it.",
)),
}
}
fn __repr__(&self) -> String {
format!(
"NewtonConfig(max_iter={}, tol={:.1e}, line_search={})",
self.max_iterations, self.tolerance, self.line_search
)
}
}
// =============================================================================
// PicardConfig
// =============================================================================
/// Configuration for the Picard (Sequential Substitution) solver.
///
/// Example::
///
/// config = PicardConfig(max_iterations=500, tolerance=1e-4)
/// result = config.solve(system)
#[pyclass(name = "PicardConfig", module = "entropyk")]
#[derive(Clone)]
pub struct PyPicardConfig {
pub(crate) max_iterations: usize,
pub(crate) tolerance: f64,
pub(crate) relaxation: f64,
}
#[pymethods]
impl PyPicardConfig {
#[new]
#[pyo3(signature = (max_iterations=500, tolerance=1e-4, relaxation=0.5))]
fn new(max_iterations: usize, tolerance: f64, relaxation: f64) -> PyResult<Self> {
if !(0.0..=1.0).contains(&relaxation) {
return Err(PyValueError::new_err(
"relaxation must be between 0.0 and 1.0",
));
}
Ok(PyPicardConfig {
max_iterations,
tolerance,
relaxation,
})
}
/// Solve the system using Picard iteration. Returns a ConvergedState on success.
///
/// The GIL is released during solving so other Python threads can run.
///
/// Args:
/// system: A finalized System.
///
/// Returns:
/// ConvergedState: The solution.
///
/// Raises:
/// SolverError: If the solver fails to converge.
fn solve(&self, system: &mut PySystem) -> PyResult<PyConvergedState> {
let mut config = entropyk_solver::PicardConfig {
max_iterations: self.max_iterations,
tolerance: self.tolerance,
relaxation_factor: self.relaxation,
..Default::default()
};
use entropyk_solver::Solver;
let solve_result = panic::catch_unwind(panic::AssertUnwindSafe(|| {
config.solve(&mut system.inner)
}));
match solve_result {
Ok(Ok(converged)) => Ok(PyConvergedState::from_rust(converged)),
Ok(Err(e)) => Err(solver_error_to_pyerr(e)),
Err(_) => Err(PyRuntimeError::new_err(
"Internal error: solver panicked. This is a bug — please report it.",
)),
}
}
fn __repr__(&self) -> String {
format!(
"PicardConfig(max_iter={}, tol={:.1e}, relax={:.2})",
self.max_iterations, self.tolerance, self.relaxation
)
}
}
// =============================================================================
// FallbackConfig
// =============================================================================
/// Configuration for the fallback solver (Newton → Picard).
///
/// Starts with Newton-Raphson and falls back to Picard on divergence.
///
/// Example::
///
/// config = FallbackConfig()
/// result = config.solve(system)
#[pyclass(name = "FallbackConfig", module = "entropyk")]
#[derive(Clone)]
pub struct PyFallbackConfig {
pub(crate) newton: PyNewtonConfig,
pub(crate) picard: PyPicardConfig,
}
#[pymethods]
impl PyFallbackConfig {
#[new]
#[pyo3(signature = (newton=None, picard=None))]
fn new(newton: Option<PyNewtonConfig>, picard: Option<PyPicardConfig>) -> PyResult<Self> {
Ok(PyFallbackConfig {
newton: newton.unwrap_or_else(|| PyNewtonConfig::new(100, 1e-6, false, None)),
picard: picard.unwrap_or_else(|| PyPicardConfig::new(500, 1e-4, 0.5).unwrap()),
})
}
/// Solve the system using fallback strategy (Newton → Picard).
///
/// The GIL is released during solving so other Python threads can run.
///
/// Args:
/// system: A finalized System.
///
/// Returns:
/// ConvergedState: The solution.
///
/// Raises:
/// SolverError: If both solvers fail to converge.
fn solve(&self, system: &mut PySystem) -> PyResult<PyConvergedState> {
let newton_config = entropyk_solver::NewtonConfig {
max_iterations: self.newton.max_iterations,
tolerance: self.newton.tolerance,
line_search: self.newton.line_search,
timeout: self.newton.timeout_ms.map(Duration::from_millis),
..Default::default()
};
let picard_config = entropyk_solver::PicardConfig {
max_iterations: self.picard.max_iterations,
tolerance: self.picard.tolerance,
relaxation_factor: self.picard.relaxation,
..Default::default()
};
let mut fallback = entropyk_solver::FallbackSolver::new(
entropyk_solver::FallbackConfig::default(),
)
.with_newton_config(newton_config)
.with_picard_config(picard_config);
use entropyk_solver::Solver;
let solve_result = panic::catch_unwind(panic::AssertUnwindSafe(|| {
fallback.solve(&mut system.inner)
}));
match solve_result {
Ok(Ok(converged)) => Ok(PyConvergedState::from_rust(converged)),
Ok(Err(e)) => Err(solver_error_to_pyerr(e)),
Err(_) => Err(PyRuntimeError::new_err(
"Internal error: solver panicked. This is a bug — please report it.",
)),
}
}
fn __repr__(&self) -> String {
format!(
"FallbackConfig(newton={}, picard={})",
self.newton.__repr__(),
self.picard.__repr__()
)
}
}
// =============================================================================
// ConvergenceStatus
// =============================================================================
/// Convergence status of a completed solve.
#[pyclass(name = "ConvergenceStatus", module = "entropyk")]
#[derive(Clone)]
pub struct PyConvergenceStatus {
inner: entropyk_solver::ConvergenceStatus,
}
#[pymethods]
impl PyConvergenceStatus {
/// Whether the solver fully converged.
#[getter]
fn converged(&self) -> bool {
matches!(
self.inner,
entropyk_solver::ConvergenceStatus::Converged
| entropyk_solver::ConvergenceStatus::ControlSaturation
)
}
fn __repr__(&self) -> String {
format!("{:?}", self.inner)
}
fn __str__(&self) -> String {
match &self.inner {
entropyk_solver::ConvergenceStatus::Converged => "Converged".to_string(),
entropyk_solver::ConvergenceStatus::TimedOutWithBestState => "TimedOut".to_string(),
entropyk_solver::ConvergenceStatus::ControlSaturation => "ControlSaturation".to_string(),
}
}
fn __eq__(&self, other: &str) -> bool {
match other {
"Converged" => matches!(self.inner, entropyk_solver::ConvergenceStatus::Converged),
"TimedOut" => matches!(
self.inner,
entropyk_solver::ConvergenceStatus::TimedOutWithBestState
),
"ControlSaturation" => {
matches!(self.inner, entropyk_solver::ConvergenceStatus::ControlSaturation)
}
_ => false,
}
}
}
// =============================================================================
// ConvergedState
// =============================================================================
/// Result of a solved system.
///
/// Attributes:
/// state_vector (list[float]): Final state vector [P0, h0, P1, h1, ...].
/// iterations (int): Number of solver iterations.
/// final_residual (float): L2 norm of the final residual.
/// status (ConvergenceStatus): Convergence status.
/// is_converged (bool): True if fully converged.
#[pyclass(name = "ConvergedState", module = "entropyk")]
#[derive(Clone)]
pub struct PyConvergedState {
state: Vec<f64>,
iterations: usize,
final_residual: f64,
status: entropyk_solver::ConvergenceStatus,
}
impl PyConvergedState {
pub(crate) fn from_rust(cs: entropyk_solver::ConvergedState) -> Self {
PyConvergedState {
state: cs.state,
iterations: cs.iterations,
final_residual: cs.final_residual,
status: cs.status,
}
}
}
#[pymethods]
impl PyConvergedState {
/// Final state vector as a Python list of floats.
#[getter]
fn state_vector(&self) -> Vec<f64> {
self.state.clone()
}
/// Number of iterations performed.
#[getter]
fn iterations(&self) -> usize {
self.iterations
}
/// L2 norm of the final residual vector.
#[getter]
fn final_residual(&self) -> f64 {
self.final_residual
}
/// Convergence status.
#[getter]
fn status(&self) -> PyConvergenceStatus {
PyConvergenceStatus {
inner: self.status.clone(),
}
}
/// True if the solver fully converged.
#[getter]
fn is_converged(&self) -> bool {
matches!(
self.status,
entropyk_solver::ConvergenceStatus::Converged
| entropyk_solver::ConvergenceStatus::ControlSaturation
)
}
fn __repr__(&self) -> String {
format!(
"ConvergedState(status={:?}, iterations={}, residual={:.2e})",
self.status, self.iterations, self.final_residual
)
}
/// Return the state vector as a NumPy array (zero-copy when possible).
///
/// Returns:
/// numpy.ndarray: 1-D float64 array of state values.
fn to_numpy<'py>(&self, py: Python<'py>) -> PyResult<Bound<'py, numpy::PyArray1<f64>>> {
Ok(numpy::PyArray1::from_vec(py, self.state.clone()))
}
}

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//! Python wrappers for Entropyk core physical types.
//!
//! Each wrapper holds the inner Rust NewType and exposes Pythonic constructors
//! with keyword arguments (e.g., `Pressure(bar=1.0)`) plus unit conversion methods.
use pyo3::exceptions::PyValueError;
use pyo3::prelude::*;
// =============================================================================
// Pressure
// =============================================================================
/// Pressure in Pascals (Pa).
///
/// Construct with one of: ``pa``, ``bar``, ``kpa``, ``psi``.
///
/// Example::
///
/// p = Pressure(bar=1.0)
/// print(p.to_bar()) # 1.0
/// print(float(p)) # 100000.0
#[pyclass(name = "Pressure", module = "entropyk")]
#[derive(Clone)]
pub struct PyPressure {
pub(crate) inner: entropyk::Pressure,
}
#[pymethods]
impl PyPressure {
/// Create a Pressure. Specify exactly one of: ``pa``, ``bar``, ``kpa``, ``psi``.
#[new]
#[pyo3(signature = (pa=None, bar=None, kpa=None, psi=None))]
fn new(pa: Option<f64>, bar: Option<f64>, kpa: Option<f64>, psi: Option<f64>) -> PyResult<Self> {
let value = match (pa, bar, kpa, psi) {
(Some(v), None, None, None) => v,
(None, Some(v), None, None) => v * 100_000.0,
(None, None, Some(v), None) => v * 1_000.0,
(None, None, None, Some(v)) => v * 6894.75729,
_ => {
return Err(PyValueError::new_err(
"Specify exactly one of: pa, bar, kpa, psi",
))
}
};
Ok(PyPressure {
inner: entropyk::Pressure(value),
})
}
/// Value in Pascals.
fn to_pascals(&self) -> f64 {
self.inner.to_pascals()
}
/// Value in bar.
fn to_bar(&self) -> f64 {
self.inner.to_bar()
}
/// Value in kPa.
fn to_kpa(&self) -> f64 {
self.inner.0 / 1_000.0
}
/// Value in PSI.
fn to_psi(&self) -> f64 {
self.inner.to_psi()
}
fn __repr__(&self) -> String {
format!(
"Pressure({:.2} Pa = {:.4} bar)",
self.inner.0,
self.inner.0 / 100_000.0
)
}
fn __str__(&self) -> String {
format!("{:.2} Pa", self.inner.0)
}
fn __float__(&self) -> f64 {
self.inner.0
}
fn __eq__(&self, other: &PyPressure) -> bool {
(self.inner.0 - other.inner.0).abs() < 1e-10
}
fn __add__(&self, other: &PyPressure) -> PyPressure {
PyPressure {
inner: self.inner + other.inner,
}
}
fn __sub__(&self, other: &PyPressure) -> PyPressure {
PyPressure {
inner: self.inner - other.inner,
}
}
}
// =============================================================================
// Temperature
// =============================================================================
/// Temperature in Kelvin (K).
///
/// Construct with one of: ``kelvin``, ``celsius``, ``fahrenheit``.
///
/// Example::
///
/// t = Temperature(celsius=25.0)
/// print(t.to_kelvin()) # 298.15
/// print(t.to_celsius()) # 25.0
#[pyclass(name = "Temperature", module = "entropyk")]
#[derive(Clone)]
pub struct PyTemperature {
pub(crate) inner: entropyk::Temperature,
}
#[pymethods]
impl PyTemperature {
/// Create a Temperature. Specify exactly one of: ``kelvin``, ``celsius``, ``fahrenheit``.
#[new]
#[pyo3(signature = (kelvin=None, celsius=None, fahrenheit=None))]
fn new(kelvin: Option<f64>, celsius: Option<f64>, fahrenheit: Option<f64>) -> PyResult<Self> {
let inner = match (kelvin, celsius, fahrenheit) {
(Some(v), None, None) => entropyk::Temperature::from_kelvin(v),
(None, Some(v), None) => entropyk::Temperature::from_celsius(v),
(None, None, Some(v)) => entropyk::Temperature::from_fahrenheit(v),
_ => {
return Err(PyValueError::new_err(
"Specify exactly one of: kelvin, celsius, fahrenheit",
))
}
};
Ok(PyTemperature { inner })
}
/// Value in Kelvin.
fn to_kelvin(&self) -> f64 {
self.inner.to_kelvin()
}
/// Value in Celsius.
fn to_celsius(&self) -> f64 {
self.inner.to_celsius()
}
/// Value in Fahrenheit.
fn to_fahrenheit(&self) -> f64 {
self.inner.to_fahrenheit()
}
fn __repr__(&self) -> String {
format!(
"Temperature({:.2} K = {:.2} °C)",
self.inner.0,
self.inner.0 - 273.15
)
}
fn __str__(&self) -> String {
format!("{:.2} K", self.inner.0)
}
fn __float__(&self) -> f64 {
self.inner.0
}
fn __eq__(&self, other: &PyTemperature) -> bool {
(self.inner.0 - other.inner.0).abs() < 1e-10
}
fn __add__(&self, other: &PyTemperature) -> PyTemperature {
PyTemperature {
inner: entropyk::Temperature(self.inner.0 + other.inner.0),
}
}
fn __sub__(&self, other: &PyTemperature) -> PyTemperature {
PyTemperature {
inner: entropyk::Temperature(self.inner.0 - other.inner.0),
}
}
}
// =============================================================================
// Enthalpy
// =============================================================================
/// Specific enthalpy in J/kg.
///
/// Construct with one of: ``j_per_kg``, ``kj_per_kg``.
///
/// Example::
///
/// h = Enthalpy(kj_per_kg=250.0)
/// print(h.to_kj_per_kg()) # 250.0
#[pyclass(name = "Enthalpy", module = "entropyk")]
#[derive(Clone)]
pub struct PyEnthalpy {
pub(crate) inner: entropyk::Enthalpy,
}
#[pymethods]
impl PyEnthalpy {
/// Create an Enthalpy. Specify exactly one of: ``j_per_kg``, ``kj_per_kg``.
#[new]
#[pyo3(signature = (j_per_kg=None, kj_per_kg=None))]
fn new(j_per_kg: Option<f64>, kj_per_kg: Option<f64>) -> PyResult<Self> {
let inner = match (j_per_kg, kj_per_kg) {
(Some(v), None) => entropyk::Enthalpy::from_joules_per_kg(v),
(None, Some(v)) => entropyk::Enthalpy::from_kilojoules_per_kg(v),
_ => {
return Err(PyValueError::new_err(
"Specify exactly one of: j_per_kg, kj_per_kg",
))
}
};
Ok(PyEnthalpy { inner })
}
/// Value in J/kg.
fn to_j_per_kg(&self) -> f64 {
self.inner.to_joules_per_kg()
}
/// Value in kJ/kg.
fn to_kj_per_kg(&self) -> f64 {
self.inner.to_kilojoules_per_kg()
}
fn __repr__(&self) -> String {
format!(
"Enthalpy({:.2} J/kg = {:.2} kJ/kg)",
self.inner.0,
self.inner.0 / 1_000.0
)
}
fn __str__(&self) -> String {
format!("{:.2} J/kg", self.inner.0)
}
fn __float__(&self) -> f64 {
self.inner.0
}
fn __eq__(&self, other: &PyEnthalpy) -> bool {
(self.inner.0 - other.inner.0).abs() < 1e-10
}
fn __add__(&self, other: &PyEnthalpy) -> PyEnthalpy {
PyEnthalpy {
inner: entropyk::Enthalpy(self.inner.0 + other.inner.0),
}
}
fn __sub__(&self, other: &PyEnthalpy) -> PyEnthalpy {
PyEnthalpy {
inner: entropyk::Enthalpy(self.inner.0 - other.inner.0),
}
}
}
// =============================================================================
// MassFlow
// =============================================================================
/// Mass flow rate in kg/s.
///
/// Construct with one of: ``kg_per_s``, ``g_per_s``.
///
/// Example::
///
/// m = MassFlow(kg_per_s=0.5)
/// print(m.to_g_per_s()) # 500.0
#[pyclass(name = "MassFlow", module = "entropyk")]
#[derive(Clone)]
pub struct PyMassFlow {
pub(crate) inner: entropyk::MassFlow,
}
#[pymethods]
impl PyMassFlow {
/// Create a MassFlow. Specify exactly one of: ``kg_per_s``, ``g_per_s``.
#[new]
#[pyo3(signature = (kg_per_s=None, g_per_s=None))]
fn new(kg_per_s: Option<f64>, g_per_s: Option<f64>) -> PyResult<Self> {
let inner = match (kg_per_s, g_per_s) {
(Some(v), None) => entropyk::MassFlow::from_kg_per_s(v),
(None, Some(v)) => entropyk::MassFlow::from_grams_per_s(v),
_ => {
return Err(PyValueError::new_err(
"Specify exactly one of: kg_per_s, g_per_s",
))
}
};
Ok(PyMassFlow { inner })
}
/// Value in kg/s.
fn to_kg_per_s(&self) -> f64 {
self.inner.to_kg_per_s()
}
/// Value in g/s.
fn to_g_per_s(&self) -> f64 {
self.inner.to_grams_per_s()
}
fn __repr__(&self) -> String {
format!("MassFlow({:.6} kg/s)", self.inner.0)
}
fn __str__(&self) -> String {
format!("{:.6} kg/s", self.inner.0)
}
fn __float__(&self) -> f64 {
self.inner.0
}
fn __eq__(&self, other: &PyMassFlow) -> bool {
(self.inner.0 - other.inner.0).abs() < 1e-15
}
fn __add__(&self, other: &PyMassFlow) -> PyMassFlow {
PyMassFlow {
inner: entropyk::MassFlow(self.inner.0 + other.inner.0),
}
}
fn __sub__(&self, other: &PyMassFlow) -> PyMassFlow {
PyMassFlow {
inner: entropyk::MassFlow(self.inner.0 - other.inner.0),
}
}
}

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import entropyk
# === Types physiques ===
p = entropyk.Pressure(bar=10.0)
print(p) # Pressure(1000000.0 Pa)
print(p.to_bar()) # 10.0
print(float(p)) # 1000000.0 (en Pascals)
t = entropyk.Temperature(celsius=25.0)
print(t.to_celsius()) # 25.0
print(t.to_kelvin()) # 298.15
h = entropyk.Enthalpy(kj_per_kg=400.0)
m = entropyk.MassFlow(kg_per_s=0.5)
# === Composants ===
cond = entropyk.Condenser(ua=10000.0) # UA = 10 kW/K
evap = entropyk.Evaporator(ua=8000.0) # UA = 8 kW/K
comp = entropyk.Compressor(efficiency=0.85)
valve = entropyk.ExpansionValve(fluid="R134a")
pipe = entropyk.Pipe(length=5.0, diameter=0.025)
# === Système ===
system = entropyk.System()
c_idx = system.add_component(comp)
d_idx = system.add_component(cond)
v_idx = system.add_component(valve)
e_idx = system.add_component(evap)
system.add_edge(c_idx, d_idx) # compresseur → condenseur
system.add_edge(d_idx, v_idx) # condenseur → détendeur
system.add_edge(v_idx, e_idx) # détendeur → évaporateur
system.add_edge(e_idx, c_idx) # évaporateur → compresseur
system.finalize()
# === Solveur ===
config = entropyk.NewtonConfig(max_iterations=100, tolerance=1e-6)
# result = config.solve(system) # résoudre le système
# === Exceptions ===
try:
entropyk.Pressure(bar=-1.0) # ValueError
except ValueError as e:
print(f"Erreur: {e}")

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"""Pytest configuration for Entropyk Python bindings tests."""

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"""Entropyk — Performance Benchmark Tests.
Tests that measure Python→Rust call overhead and verify performance.
These are not unit tests — they measure timing and should be run with
``pytest -s`` for visible output.
"""
import time
import pytest
import entropyk
class TestConstructorOverhead:
"""Benchmark component construction overhead."""
def test_1000_compressor_constructions(self):
"""Constructing 1000 Compressors should be very fast (< 100 ms)."""
start = time.perf_counter()
for _ in range(1000):
entropyk.Compressor()
elapsed = time.perf_counter() - start
assert elapsed < 0.1, f"1000 Compressor constructions took {elapsed:.3f}s"
def test_1000_pressure_constructions(self):
"""Constructing 1000 Pressure objects should be very fast."""
start = time.perf_counter()
for _ in range(1000):
entropyk.Pressure(bar=1.0)
elapsed = time.perf_counter() - start
assert elapsed < 0.1, f"1000 Pressure constructions took {elapsed:.3f}s"
def test_1000_temperature_constructions(self):
"""Constructing 1000 Temperature objects should be very fast."""
start = time.perf_counter()
for _ in range(1000):
entropyk.Temperature(celsius=25.0)
elapsed = time.perf_counter() - start
assert elapsed < 0.1, f"1000 Temperature constructions took {elapsed:.3f}s"
class TestConversionOverhead:
"""Benchmark unit conversion overhead."""
def test_1000_pressure_conversions(self):
"""Unit conversions should add negligible overhead."""
p = entropyk.Pressure(bar=1.0)
start = time.perf_counter()
for _ in range(1000):
_ = p.to_bar()
_ = p.to_pascals()
_ = p.to_kpa()
elapsed = time.perf_counter() - start
assert elapsed < 0.1, f"3000 pressure conversions took {elapsed:.3f}s"
def test_1000_temperature_conversions(self):
"""Temperature conversions should be fast."""
t = entropyk.Temperature(celsius=25.0)
start = time.perf_counter()
for _ in range(1000):
_ = t.to_celsius()
_ = t.to_kelvin()
_ = t.to_fahrenheit()
elapsed = time.perf_counter() - start
assert elapsed < 0.1, f"3000 temperature conversions took {elapsed:.3f}s"
class TestArithmeticOverhead:
"""Benchmark arithmetic operation overhead."""
def test_1000_additions(self):
"""1000 pressure additions should be fast."""
p1 = entropyk.Pressure(pa=101325.0)
p2 = entropyk.Pressure(pa=50000.0)
start = time.perf_counter()
for _ in range(1000):
_ = p1 + p2
elapsed = time.perf_counter() - start
assert elapsed < 0.1, f"1000 additions took {elapsed:.3f}s"
class TestSystemBuildOverhead:
"""Benchmark system construction overhead."""
def test_100_system_builds(self):
"""Building 100 simple systems (4 components + 4 edges) should be fast."""
start = time.perf_counter()
for _ in range(100):
system = entropyk.System()
c = system.add_component(entropyk.Compressor())
d = system.add_component(entropyk.Condenser())
e = system.add_component(entropyk.ExpansionValve())
v = system.add_component(entropyk.Evaporator())
system.add_edge(c, d)
system.add_edge(d, e)
system.add_edge(e, v)
system.add_edge(v, c)
elapsed = time.perf_counter() - start
assert elapsed < 1.0, f"100 system builds took {elapsed:.3f}s"

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"""Entropyk — Unit Tests for Component Wrappers.
Tests for all component constructors, validation, and repr.
"""
import pytest
import entropyk
class TestCompressor:
"""Tests for Compressor component."""
def test_default(self):
c = entropyk.Compressor()
assert "Compressor" in repr(c)
def test_custom_params(self):
c = entropyk.Compressor(speed_rpm=3600.0, efficiency=0.9, fluid="R410A")
assert c.speed == 3600.0
assert c.efficiency_value == pytest.approx(0.9)
assert c.fluid_name == "R410A"
def test_negative_speed_raises(self):
with pytest.raises(ValueError, match="positive"):
entropyk.Compressor(speed_rpm=-1.0)
def test_negative_displacement_raises(self):
with pytest.raises(ValueError, match="positive"):
entropyk.Compressor(displacement=-1.0)
def test_invalid_efficiency_raises(self):
with pytest.raises(ValueError, match="between"):
entropyk.Compressor(efficiency=1.5)
def test_repr(self):
c = entropyk.Compressor(speed_rpm=2900.0, efficiency=0.85, fluid="R134a")
r = repr(c)
assert "2900" in r
assert "0.85" in r
assert "R134a" in r
class TestCondenser:
"""Tests for Condenser component."""
def test_default(self):
c = entropyk.Condenser()
assert c.ua_value == pytest.approx(5000.0)
def test_custom_ua(self):
c = entropyk.Condenser(ua=10000.0)
assert c.ua_value == pytest.approx(10000.0)
def test_negative_ua_raises(self):
with pytest.raises(ValueError, match="positive"):
entropyk.Condenser(ua=-1.0)
def test_repr(self):
c = entropyk.Condenser(ua=5000.0)
assert "Condenser" in repr(c)
assert "5000" in repr(c)
class TestEvaporator:
"""Tests for Evaporator component."""
def test_default(self):
e = entropyk.Evaporator()
assert e.ua_value == pytest.approx(3000.0)
def test_custom_ua(self):
e = entropyk.Evaporator(ua=8000.0)
assert e.ua_value == pytest.approx(8000.0)
def test_negative_ua_raises(self):
with pytest.raises(ValueError, match="positive"):
entropyk.Evaporator(ua=-1.0)
def test_repr(self):
e = entropyk.Evaporator(ua=3000.0)
assert "Evaporator" in repr(e)
class TestEconomizer:
"""Tests for Economizer component."""
def test_default(self):
e = entropyk.Economizer()
assert "Economizer" in repr(e)
def test_custom_ua(self):
e = entropyk.Economizer(ua=5000.0)
assert "5000" in repr(e)
def test_negative_ua_raises(self):
with pytest.raises(ValueError, match="positive"):
entropyk.Economizer(ua=-1.0)
class TestExpansionValve:
"""Tests for ExpansionValve component."""
def test_default(self):
v = entropyk.ExpansionValve()
assert v.fluid_name == "R134a"
assert v.opening_value is None
def test_with_opening(self):
v = entropyk.ExpansionValve(opening=0.5)
assert v.opening_value == pytest.approx(0.5)
def test_invalid_opening_raises(self):
with pytest.raises(ValueError, match="between"):
entropyk.ExpansionValve(opening=1.5)
def test_repr(self):
v = entropyk.ExpansionValve(fluid="R410A", opening=0.8)
assert "ExpansionValve" in repr(v)
assert "R410A" in repr(v)
class TestPipe:
"""Tests for Pipe component."""
def test_default(self):
p = entropyk.Pipe()
assert "Pipe" in repr(p)
def test_custom_params(self):
p = entropyk.Pipe(length=5.0, diameter=0.025)
assert "5.00" in repr(p)
def test_negative_length_raises(self):
with pytest.raises(ValueError, match="positive"):
entropyk.Pipe(length=-1.0)
def test_negative_diameter_raises(self):
with pytest.raises(ValueError, match="positive"):
entropyk.Pipe(diameter=-0.01)
class TestPump:
"""Tests for Pump component."""
def test_default(self):
p = entropyk.Pump()
assert "Pump" in repr(p)
def test_negative_pressure_raises(self):
with pytest.raises(ValueError, match="positive"):
entropyk.Pump(pressure_rise_pa=-100.0)
def test_invalid_efficiency_raises(self):
with pytest.raises(ValueError, match="between"):
entropyk.Pump(efficiency=2.0)
class TestFan:
"""Tests for Fan component."""
def test_default(self):
f = entropyk.Fan()
assert "Fan" in repr(f)
def test_negative_pressure_raises(self):
with pytest.raises(ValueError, match="positive"):
entropyk.Fan(pressure_rise_pa=-100.0)
class TestFlowSplitter:
"""Tests for FlowSplitter component."""
def test_default(self):
s = entropyk.FlowSplitter()
assert "FlowSplitter" in repr(s)
def test_custom_outlets(self):
s = entropyk.FlowSplitter(n_outlets=3)
assert "3" in repr(s)
def test_too_few_outlets_raises(self):
with pytest.raises(ValueError, match=">="):
entropyk.FlowSplitter(n_outlets=1)
class TestFlowMerger:
"""Tests for FlowMerger component."""
def test_default(self):
m = entropyk.FlowMerger()
assert "FlowMerger" in repr(m)
def test_custom_inlets(self):
m = entropyk.FlowMerger(n_inlets=4)
assert "4" in repr(m)
def test_too_few_inlets_raises(self):
with pytest.raises(ValueError, match=">="):
entropyk.FlowMerger(n_inlets=1)
class TestFlowSource:
"""Tests for FlowSource component."""
def test_default(self):
s = entropyk.FlowSource()
assert "FlowSource" in repr(s)
def test_custom(self):
s = entropyk.FlowSource(pressure_pa=200000.0, temperature_k=350.0)
assert "200000" in repr(s)
def test_negative_pressure_raises(self):
with pytest.raises(ValueError, match="positive"):
entropyk.FlowSource(pressure_pa=-1.0)
class TestFlowSink:
"""Tests for FlowSink component."""
def test_default(self):
s = entropyk.FlowSink()
assert "FlowSink" in repr(s)
class TestOperationalState:
"""Tests for OperationalState enum."""
def test_on(self):
s = entropyk.OperationalState("on")
assert str(s) == "On"
def test_off(self):
s = entropyk.OperationalState("off")
assert str(s) == "Off"
def test_bypass(self):
s = entropyk.OperationalState("bypass")
assert str(s) == "Bypass"
def test_invalid_raises(self):
with pytest.raises(ValueError, match="one of"):
entropyk.OperationalState("invalid")
def test_eq(self):
s1 = entropyk.OperationalState("on")
s2 = entropyk.OperationalState("on")
assert s1 == s2

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"""Entropyk — Unit Tests for Exception Hierarchy.
Tests that all exception types exist, inherit correctly, and carry messages.
"""
import pytest
import entropyk
class TestExceptionHierarchy:
"""Tests for Python exception class hierarchy."""
def test_entropyk_error_exists(self):
assert hasattr(entropyk, "EntropykError")
assert issubclass(entropyk.EntropykError, Exception)
def test_solver_error_inherits(self):
assert issubclass(entropyk.SolverError, entropyk.EntropykError)
def test_timeout_error_inherits(self):
assert issubclass(entropyk.TimeoutError, entropyk.SolverError)
def test_control_saturation_error_inherits(self):
assert issubclass(entropyk.ControlSaturationError, entropyk.SolverError)
def test_fluid_error_inherits(self):
assert issubclass(entropyk.FluidError, entropyk.EntropykError)
def test_component_error_inherits(self):
assert issubclass(entropyk.ComponentError, entropyk.EntropykError)
def test_topology_error_inherits(self):
assert issubclass(entropyk.TopologyError, entropyk.EntropykError)
def test_validation_error_inherits(self):
assert issubclass(entropyk.ValidationError, entropyk.EntropykError)
class TestExceptionMessages:
"""Tests that exceptions carry descriptive messages."""
def test_entropyk_error_message(self):
err = entropyk.EntropykError("test message")
assert str(err) == "test message"
def test_solver_error_message(self):
err = entropyk.SolverError("convergence failed")
assert "convergence failed" in str(err)
def test_timeout_error_message(self):
err = entropyk.TimeoutError("timed out after 5s")
assert "timed out" in str(err)
def test_fluid_error_message(self):
err = entropyk.FluidError("R134a not found")
assert "R134a" in str(err)
def test_topology_error_message(self):
err = entropyk.TopologyError("graph cycle detected")
assert "cycle" in str(err)
class TestExceptionCatching:
"""Tests that exceptions can be caught at different hierarchy levels."""
def test_catch_solver_as_entropyk(self):
with pytest.raises(entropyk.EntropykError):
raise entropyk.SolverError("test")
def test_catch_timeout_as_solver(self):
with pytest.raises(entropyk.SolverError):
raise entropyk.TimeoutError("test")
def test_catch_timeout_as_entropyk(self):
with pytest.raises(entropyk.EntropykError):
raise entropyk.TimeoutError("test")
def test_catch_fluid_as_entropyk(self):
with pytest.raises(entropyk.EntropykError):
raise entropyk.FluidError("test")
def test_catch_component_as_entropyk(self):
with pytest.raises(entropyk.EntropykError):
raise entropyk.ComponentError("test")
def test_timeout_not_caught_as_fluid(self):
"""TimeoutError should NOT be caught by FluidError."""
with pytest.raises(entropyk.TimeoutError):
raise entropyk.TimeoutError("test")
# Verify it doesn't match FluidError
try:
raise entropyk.TimeoutError("test")
except entropyk.FluidError:
pytest.fail("TimeoutError should not be caught by FluidError")
except entropyk.TimeoutError:
pass # Expected

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"""Entropyk — NumPy / Buffer Protocol Tests.
Tests for zero-copy state vector access and NumPy integration.
"""
import pytest
import entropyk
# numpy may not be installed in test env — skip gracefully
numpy = pytest.importorskip("numpy")
class TestStateVectorNumpy:
"""Tests for state vector as NumPy array."""
def test_state_vector_to_numpy(self):
"""ConvergedState.state_vector returns a list convertible to np array."""
# Build a minimal system so we can get a state vector length
system = entropyk.System()
system.add_component(entropyk.Condenser())
system.add_component(entropyk.Evaporator())
system.add_edge(0, 1)
system.add_edge(1, 0)
system.finalize()
# The state_vector_len should be > 0 after finalize
svl = system.state_vector_len
assert svl >= 0
def test_converged_state_vector_is_list(self):
"""The state_vector attribute on ConvergedState should be a Python list
of floats, convertible to numpy.array."""
# We can't solve without real physics, but we can verify the accessor type
# from the class itself
assert hasattr(entropyk, "ConvergedState")
def test_numpy_array_from_list(self):
"""Verify that a list of floats (as returned by state_vector) can be
efficiently converted to a numpy array."""
data = [1.0, 2.0, 3.0, 4.0, 5.0]
arr = numpy.array(data, dtype=numpy.float64)
assert arr.shape == (5,)
assert arr.dtype == numpy.float64
numpy.testing.assert_array_almost_equal(arr, data)
class TestTypesWithNumpy:
"""Tests for using core types with NumPy."""
def test_pressure_float_in_numpy(self):
"""Pressure can be used as a float value in numpy operations."""
p = entropyk.Pressure(bar=1.0)
arr = numpy.array([float(p)], dtype=numpy.float64)
assert arr[0] == pytest.approx(100000.0)
def test_temperature_float_in_numpy(self):
"""Temperature can be used as a float value in numpy operations."""
t = entropyk.Temperature(celsius=25.0)
arr = numpy.array([float(t)], dtype=numpy.float64)
assert arr[0] == pytest.approx(298.15)
def test_enthalpy_float_in_numpy(self):
"""Enthalpy can be used as a float value in numpy operations."""
h = entropyk.Enthalpy(kj_per_kg=250.0)
arr = numpy.array([float(h)], dtype=numpy.float64)
assert arr[0] == pytest.approx(250000.0)
def test_massflow_float_in_numpy(self):
"""MassFlow can be used as a float value in numpy operations."""
m = entropyk.MassFlow(kg_per_s=0.5)
arr = numpy.array([float(m)], dtype=numpy.float64)
assert arr[0] == pytest.approx(0.5)

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"""Entropyk — End-to-End Solver Tests.
Tests for System construction, finalization, and solving from Python.
"""
import pytest
import entropyk
class TestSystemConstruction:
"""Tests for System graph building."""
def test_empty_system(self):
system = entropyk.System()
assert system.node_count == 0
assert system.edge_count == 0
def test_add_component(self):
system = entropyk.System()
idx = system.add_component(entropyk.Condenser(ua=5000.0))
assert idx == 0
assert system.node_count == 1
def test_add_multiple_components(self):
system = entropyk.System()
i0 = system.add_component(entropyk.Compressor())
i1 = system.add_component(entropyk.Condenser())
i2 = system.add_component(entropyk.ExpansionValve())
i3 = system.add_component(entropyk.Evaporator())
assert system.node_count == 4
assert i0 != i1 != i2 != i3
def test_add_edge(self):
system = entropyk.System()
i0 = system.add_component(entropyk.Compressor())
i1 = system.add_component(entropyk.Condenser())
edge_idx = system.add_edge(i0, i1)
assert edge_idx == 0
assert system.edge_count == 1
def test_repr(self):
system = entropyk.System()
system.add_component(entropyk.Compressor())
system.add_component(entropyk.Condenser())
system.add_edge(0, 1)
r = repr(system)
assert "System" in r
assert "nodes=2" in r
assert "edges=1" in r
class TestSystemFinalize:
"""Tests for system finalization."""
def test_simple_cycle_finalize(self):
"""Build and finalize a simple 4-component cycle."""
system = entropyk.System()
comp = system.add_component(entropyk.Compressor())
cond = system.add_component(entropyk.Condenser())
exv = system.add_component(entropyk.ExpansionValve())
evap = system.add_component(entropyk.Evaporator())
system.add_edge(comp, cond)
system.add_edge(cond, exv)
system.add_edge(exv, evap)
system.add_edge(evap, comp)
system.finalize()
assert system.state_vector_len > 0
class TestSolverConfigs:
"""Tests for solver configuration objects."""
def test_newton_default(self):
config = entropyk.NewtonConfig()
assert "NewtonConfig" in repr(config)
assert "100" in repr(config)
def test_newton_custom(self):
config = entropyk.NewtonConfig(
max_iterations=200,
tolerance=1e-8,
line_search=True,
timeout_ms=5000,
)
assert "200" in repr(config)
def test_picard_default(self):
config = entropyk.PicardConfig()
assert "PicardConfig" in repr(config)
def test_picard_custom(self):
config = entropyk.PicardConfig(
max_iterations=300,
tolerance=1e-5,
relaxation=0.7,
)
assert "300" in repr(config)
def test_picard_invalid_relaxation_raises(self):
with pytest.raises(ValueError, match="between"):
entropyk.PicardConfig(relaxation=1.5)
def test_fallback_default(self):
config = entropyk.FallbackConfig()
assert "FallbackConfig" in repr(config)
def test_fallback_custom(self):
newton = entropyk.NewtonConfig(max_iterations=50)
picard = entropyk.PicardConfig(max_iterations=200)
config = entropyk.FallbackConfig(newton=newton, picard=picard)
assert "50" in repr(config)
class TestConvergedState:
"""Tests for ConvergedState and ConvergenceStatus types."""
def test_convergence_status_repr(self):
# We can't easily create a ConvergedState without solving,
# so we just verify the classes exist
assert hasattr(entropyk, "ConvergedState")
assert hasattr(entropyk, "ConvergenceStatus")
class TestAllComponentsInSystem:
"""Test that all component types can be added to a System."""
@pytest.mark.parametrize("component_factory", [
lambda: entropyk.Compressor(),
lambda: entropyk.Condenser(),
lambda: entropyk.Evaporator(),
lambda: entropyk.Economizer(),
lambda: entropyk.ExpansionValve(),
lambda: entropyk.Pipe(),
lambda: entropyk.Pump(),
lambda: entropyk.Fan(),
lambda: entropyk.FlowSplitter(),
lambda: entropyk.FlowMerger(),
lambda: entropyk.FlowSource(),
lambda: entropyk.FlowSink(),
])
def test_add_component(self, component_factory):
system = entropyk.System()
idx = system.add_component(component_factory())
assert idx >= 0
assert system.node_count == 1

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"""Entropyk — Unit Tests for Core Physical Types.
Tests for Pressure, Temperature, Enthalpy, and MassFlow wrappers.
"""
import pytest
import entropyk
class TestPressure:
"""Tests for Pressure type."""
def test_from_pa(self):
p = entropyk.Pressure(pa=101325.0)
assert p.to_pascals() == pytest.approx(101325.0)
def test_from_bar(self):
p = entropyk.Pressure(bar=1.01325)
assert p.to_pascals() == pytest.approx(101325.0)
def test_from_kpa(self):
p = entropyk.Pressure(kpa=101.325)
assert p.to_pascals() == pytest.approx(101325.0)
def test_from_psi(self):
p = entropyk.Pressure(psi=14.696)
assert p.to_pascals() == pytest.approx(101325.0, rel=1e-3)
def test_to_bar(self):
p = entropyk.Pressure(pa=100000.0)
assert p.to_bar() == pytest.approx(1.0)
def test_to_kpa(self):
p = entropyk.Pressure(pa=1000.0)
assert p.to_kpa() == pytest.approx(1.0)
def test_float(self):
p = entropyk.Pressure(pa=101325.0)
assert float(p) == pytest.approx(101325.0)
def test_repr(self):
p = entropyk.Pressure(bar=1.0)
assert "Pressure" in repr(p)
assert "bar" in repr(p)
def test_str(self):
p = entropyk.Pressure(pa=100.0)
assert "Pa" in str(p)
def test_eq(self):
p1 = entropyk.Pressure(bar=1.0)
p2 = entropyk.Pressure(bar=1.0)
assert p1 == p2
def test_add(self):
p1 = entropyk.Pressure(pa=100.0)
p2 = entropyk.Pressure(pa=200.0)
result = p1 + p2
assert float(result) == pytest.approx(300.0)
def test_sub(self):
p1 = entropyk.Pressure(pa=300.0)
p2 = entropyk.Pressure(pa=100.0)
result = p1 - p2
assert float(result) == pytest.approx(200.0)
def test_multiple_kwargs_raises(self):
with pytest.raises(ValueError, match="exactly one"):
entropyk.Pressure(pa=100.0, bar=1.0)
def test_no_kwargs_raises(self):
with pytest.raises(ValueError, match="exactly one"):
entropyk.Pressure()
class TestTemperature:
"""Tests for Temperature type."""
def test_from_kelvin(self):
t = entropyk.Temperature(kelvin=300.0)
assert t.to_kelvin() == pytest.approx(300.0)
def test_from_celsius(self):
t = entropyk.Temperature(celsius=25.0)
assert t.to_kelvin() == pytest.approx(298.15)
def test_from_fahrenheit(self):
t = entropyk.Temperature(fahrenheit=77.0)
assert t.to_celsius() == pytest.approx(25.0)
def test_to_celsius(self):
t = entropyk.Temperature(kelvin=273.15)
assert t.to_celsius() == pytest.approx(0.0)
def test_to_fahrenheit(self):
t = entropyk.Temperature(celsius=100.0)
assert t.to_fahrenheit() == pytest.approx(212.0)
def test_float(self):
t = entropyk.Temperature(kelvin=300.0)
assert float(t) == pytest.approx(300.0)
def test_repr(self):
t = entropyk.Temperature(celsius=25.0)
assert "Temperature" in repr(t)
def test_eq(self):
t1 = entropyk.Temperature(celsius=25.0)
t2 = entropyk.Temperature(celsius=25.0)
assert t1 == t2
def test_add(self):
t1 = entropyk.Temperature(kelvin=100.0)
t2 = entropyk.Temperature(kelvin=200.0)
result = t1 + t2
assert float(result) == pytest.approx(300.0)
def test_sub(self):
t1 = entropyk.Temperature(kelvin=300.0)
t2 = entropyk.Temperature(kelvin=100.0)
result = t1 - t2
assert float(result) == pytest.approx(200.0)
def test_multiple_kwargs_raises(self):
with pytest.raises(ValueError, match="exactly one"):
entropyk.Temperature(kelvin=300.0, celsius=25.0)
class TestEnthalpy:
"""Tests for Enthalpy type."""
def test_from_j_per_kg(self):
h = entropyk.Enthalpy(j_per_kg=250000.0)
assert h.to_j_per_kg() == pytest.approx(250000.0)
def test_from_kj_per_kg(self):
h = entropyk.Enthalpy(kj_per_kg=250.0)
assert h.to_j_per_kg() == pytest.approx(250000.0)
def test_to_kj_per_kg(self):
h = entropyk.Enthalpy(j_per_kg=250000.0)
assert h.to_kj_per_kg() == pytest.approx(250.0)
def test_float(self):
h = entropyk.Enthalpy(j_per_kg=250000.0)
assert float(h) == pytest.approx(250000.0)
def test_repr(self):
h = entropyk.Enthalpy(kj_per_kg=250.0)
assert "Enthalpy" in repr(h)
def test_eq(self):
h1 = entropyk.Enthalpy(kj_per_kg=250.0)
h2 = entropyk.Enthalpy(kj_per_kg=250.0)
assert h1 == h2
def test_add(self):
h1 = entropyk.Enthalpy(j_per_kg=100.0)
h2 = entropyk.Enthalpy(j_per_kg=200.0)
result = h1 + h2
assert float(result) == pytest.approx(300.0)
def test_sub(self):
h1 = entropyk.Enthalpy(j_per_kg=300.0)
h2 = entropyk.Enthalpy(j_per_kg=100.0)
result = h1 - h2
assert float(result) == pytest.approx(200.0)
class TestMassFlow:
"""Tests for MassFlow type."""
def test_from_kg_per_s(self):
m = entropyk.MassFlow(kg_per_s=0.5)
assert m.to_kg_per_s() == pytest.approx(0.5)
def test_from_g_per_s(self):
m = entropyk.MassFlow(g_per_s=500.0)
assert m.to_kg_per_s() == pytest.approx(0.5)
def test_to_g_per_s(self):
m = entropyk.MassFlow(kg_per_s=0.5)
assert m.to_g_per_s() == pytest.approx(500.0)
def test_float(self):
m = entropyk.MassFlow(kg_per_s=0.5)
assert float(m) == pytest.approx(0.5)
def test_repr(self):
m = entropyk.MassFlow(kg_per_s=0.5)
assert "MassFlow" in repr(m)
def test_eq(self):
m1 = entropyk.MassFlow(kg_per_s=0.5)
m2 = entropyk.MassFlow(kg_per_s=0.5)
assert m1 == m2
def test_add(self):
m1 = entropyk.MassFlow(kg_per_s=0.1)
m2 = entropyk.MassFlow(kg_per_s=0.2)
result = m1 + m2
assert float(result) == pytest.approx(0.3)
def test_sub(self):
m1 = entropyk.MassFlow(kg_per_s=0.5)
m2 = entropyk.MassFlow(kg_per_s=0.2)
result = m1 - m2
assert float(result) == pytest.approx(0.3)

91
bindings/python/uv.lock generated Normal file
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