diff --git a/.gitignore b/.gitignore index 110b0a6..b6f5604 100644 --- a/.gitignore +++ b/.gitignore @@ -9,3 +9,5 @@ wheels/ # Virtual environments .venv .env +tmp +pytest.log diff --git a/pyproject.toml b/pyproject.toml index c7b43f8..df4d6e3 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -19,6 +19,16 @@ simulate = [ requires = ["uv_build>=0.9.15,<0.10.0"] build-backend = "uv_build" +[tool.poe.tasks.precommit] +sequence = [ + {cmd = "uv sync --all-groups --all-extras"}, + {cmd = "uvx ruff format"}, + {cmd = "uvx ruff check"}, + {cmd = "uvx ty check"}, + {cmd = "pytest --basetemp=tmp"}, +] + + [tool.pytest.ini_options] testpaths = ["tests"] log_cli_level = "ERROR" @@ -27,5 +37,6 @@ log_file = "./pytest.log" [dependency-groups] dev = [ + "poethepoet>=0.40.0", "pytest>=9.0.2", ] diff --git a/src/pyxems/csx.py b/src/pyxems/csx.py new file mode 100644 index 0000000..bc4900f --- /dev/null +++ b/src/pyxems/csx.py @@ -0,0 +1,189 @@ +from dataclasses import dataclass, field +from typing import Literal, get_args, Protocol + +Axes = Literal["X", "Y", "Z"] + + +@dataclass(frozen=True) +class Line: + axe: Axes + position: list[float] = field(default_factory=list) + + def to_xml(self) -> str: + xml = f'<{self.axe.upper()}Lines Qty="{len(self.position)}">' + xml += ",".join([f"{value}" for value in self.position]) + xml += f"" + return xml + + +@dataclass() +class Physical: + value: tuple[float, float, float] + + def __init__(self, value: float | int | tuple[float, float, float]): + if isinstance(value, float) or isinstance(value, int): + self.value = (value, 1.0, 1.0) + else: + self.value = value + + def __str__(self, short=True) -> str: + if short: + return f"{self.value[0]:g}" + else: + return ",".join([f"{v:e}" for v in self.value]) + + +@dataclass() +class Material: + name: str + epsilon_r: Physical + mu_r: Physical + kappa: Physical = field(default_factory=lambda: Physical((0, 0, 0))) + sigma: Physical = field(default_factory=lambda: Physical((0, 0, 0))) + density: float = 0.0 + + def to_xml(self, short=True) -> str: + if short: + return f'<{self.name} Epsilon="{self.epsilon_r}" Mue="{self.mu_r}" Kappa="{self.kappa}" Sigma="{self.sigma}" />' + else: + return f'<{self.name} Epsilon="{self.epsilon_r.__str__(short=False)}" Mue="{self.mu_r.__str__(short=False)}" Kappa="{self.kappa.__str__(short=False)}" Sigma="{self.sigma.__str__(short=False)}" Density="{self.density:e}" />' + + +@dataclass(frozen=True) +class Color: + r: int + g: int + b: int + a: int = 255 + + def to_xml(self) -> str: + return f'R="{self.r}" G="{self.g}" B="{self.b}" a="{self.a}"' + + +class Primitive(Protocol): + def to_xml(self) -> str: ... + + +point = tuple[float, float, float] + + +@dataclass(frozen=True) +class Box(Primitive): + start: point + stop: point + priority: int = 0 + + def to_xml(self) -> str: + xml = f'\n' + xml += f' \n' + xml += f' \n' + xml += "" + return xml + + +@dataclass(frozen=True) +class Property: + name: str + id: int + kind: Literal["Metal", "Material"] = "Material" + fillcolor: Color = field(default_factory=lambda: Color(255, 255, 255, 255)) + edgecolor: Color = field(default_factory=lambda: Color(0, 0, 0, 255)) + material: Material = field( + default_factory=lambda: Material("Property", Physical(1.0), Physical(1.0)) + ) + weight: Material = field( + default_factory=lambda: Material( + "Weight", + Physical(1.0), + Physical(1.0), + Physical((1.0, 1.0, 1.0)), + Physical((1.0, 1.0, 1.0)), + 1.0, + ) + ) + _primitive: list[Primitive] = field(default_factory=list) + + def to_xml(self) -> str: + iso = ' Isotropy="1"' if self.kind == "Material" else "" + xml = f'<{self.kind} ID="{self.id}" Name="{self.name}"{iso}>\n' + xml += f" \n" + xml += f" \n" + xml += " \n" + for primitive in self._primitive: + for line in primitive.to_xml().splitlines(): + xml += f" {line}\n" + xml += " \n" + if self.kind == "Material": + xml += f" {self.material.to_xml(False)}\n" + xml += f" {self.weight.to_xml(False)}\n" + xml += f"\n" + return xml + + +@dataclass(frozen=True) +class ContinousStructure: + coordinates_system: int = 0 + lines: dict[Axes, Line] = field(default_factory=dict) + background_material: Material = field( + default_factory=lambda: Material( + "BackgroundMaterial", Physical(1.0), Physical(1.0) + ) + ) + properties: list[Property] = field(default_factory=list) + + def __post_init__(self): + for axe in get_args(Axes): + self.lines[axe] = Line(axe.upper()) + + def add_line(self, axe: Axes, position: float): + self.lines[axe].position.append(position) + + def add_property( + self, + kind: Literal["Metal", "Material"], + name: str, + fillcolor: Color = Color(255, 255, 255, 255), + edgecolor: Color = Color(0, 0, 0, 255), + eps: float = 1.0, + mu: float = 1.0, + kappa: float = 0.0, + sigma: float = 0.0, + ): + id = len(self.properties) + prop = Property( + name, + id, + kind, + fillcolor, + edgecolor, + material=Material( + "Property", + Physical(eps), + Physical(mu), + Physical((kappa, 0, 0)), + Physical((sigma, 0, 0)), + ), + ) + self.properties.append(prop) + + def add_box( + self, start: point, stop: point, priority: int = 0, property_id: int = 0 + ): + box = Box(start, stop, priority) + self.properties[property_id]._primitive.append(box) + + def to_xml(self) -> str: + xml = f'\n' + xml += ' \n' + for line in self.lines.values(): + xml += f" {line.to_xml()}\n" + xml += " \n" + xml += f" {self.background_material.to_xml()}\n" + xml += " \n" + xml += " \n" + for property in self.properties: + for line in property.to_xml().splitlines(): + xml += f" {line}\n" + xml += " \n" + xml += "\n" + return xml diff --git a/src/pyxems/fdtd.py b/src/pyxems/fdtd.py new file mode 100644 index 0000000..e235e17 --- /dev/null +++ b/src/pyxems/fdtd.py @@ -0,0 +1,35 @@ +from dataclasses import dataclass, field +from typing import Literal + +Boundary = Literal["MUR", "PEC", "PMC", "PML"] + + +@dataclass(frozen=True) +class BoundaryCond: + xmin: Boundary = "MUR" + xmax: Boundary = "MUR" + ymin: Boundary = "MUR" + ymax: Boundary = "MUR" + zmin: Boundary = "MUR" + zmax: Boundary = "MUR" + + def to_xml(self) -> str: + elem = " str: + xml = f'\n' + xml += f" {self.boundary_cond.to_xml()}\n" + xml += f" \n" + xml += "\n" + return xml diff --git a/src/pyxems/main.py b/src/pyxems/main.py index 56eacec..2795d5c 100644 --- a/src/pyxems/main.py +++ b/src/pyxems/main.py @@ -1,93 +1,8 @@ from pathlib import Path -from typing import Literal, get_args from dataclasses import dataclass, field -Boundary = Literal["MUR", "PEC", "PMC", "PML"] - - -@dataclass(frozen=True) -class Material: - name: str - epsilon_r: float - mu_r: float - kappa: float = 0.0 - sigma: float = 0.0 - - def to_xml(self) -> str: - return f'<{self.name} Epsilon="{self.epsilon_r:g}" Mue="{self.mu_r:g}" Kappa="{self.kappa:g}" Sigma="{self.sigma:g}" />' - - -@dataclass(frozen=True) -class BoundaryCond: - xmin: Boundary = "MUR" - xmax: Boundary = "MUR" - ymin: Boundary = "MUR" - ymax: Boundary = "MUR" - zmin: Boundary = "MUR" - zmax: Boundary = "MUR" - - def to_xml(self) -> str: - elem = " str: - xml = f'\n' - xml += f" {self.boundary_cond.to_xml()}\n" - xml += f" \n" - xml += "\n" - return xml - - -Axes = Literal["X", "Y", "Z"] - - -@dataclass(frozen=True) -class Line: - axe: Axes - position: list[float] = field(default_factory=list) - - def to_xml(self) -> str: - xml = f'<{self.axe.upper()}Lines Qty="{len(self.position)}">' - xml += ",".join([f"{value}" for value in self.position]) - xml += f"" - return xml - - -@dataclass(frozen=True) -class ContinousStructure: - coordinates_system: int = 0 - lines: dict[Axes, Line] = field(default_factory=dict) - background_material: Material = field( - default_factory=lambda: Material("BackgroundMaterial", 1.0, 1.0) - ) - # TODO: add parameters settings for the structure - - def __post_init__(self): - for axe in get_args(Axes): - self.lines[axe] = Line(axe.upper()) - - def add_line(self, axe: Axes, position: float): - self.lines[axe].position.append(position) - - def to_xml(self) -> str: - xml = f'\n' - xml += ' \n' - for line in self.lines.values(): - xml += f" {line.to_xml()}\n" - xml += " \n" - xml += f" {self.background_material.to_xml()}\n" - xml += "\n" - return xml +from pyxems.fdtd import FDTDConfig +from pyxems.csx import ContinousStructure @dataclass(frozen=True) diff --git a/src/pyxems/run.py b/src/pyxems/run.py index 702a750..ec63a17 100644 --- a/src/pyxems/run.py +++ b/src/pyxems/run.py @@ -17,14 +17,29 @@ app = cyclopts.App(__name__) +def find_openems_executable() -> Optional[Path]: + if which("openEMS") is not None: + return Path(which("openEMS")) # type: ignore + load_dotenv() + if "OPENEMS_PATH" in os.environ: + openems_path = Path(os.environ["OPENEMS_PATH"]) / "openEMS" + if openems_path.is_file(): + return openems_path + return None + + +def check_config() -> bool: + openems_executable = find_openems_executable() + return openems_executable is not None + + @app.command() def simulate(config_path: Path, run_dir: Optional[Path]) -> CompletedProcess: - if which("openEMS") is None: - load_dotenv() - if "OPENEMS_PATH" in os.environ: - openems_path = Path(os.environ["OPENEMS_PATH"]) / "openEMS" - else: - openems_path = "openEMS" + openems_path = find_openems_executable() + if openems_path is None: + raise FileNotFoundError( + "OpenEMS executable not found. Please ensure it is installed and in your PATH, or set the OPENEMS_PATH environment variable." + ) config_path = config_path.resolve() if run_dir is None: run_dir = config_path.parent diff --git a/tests/test_main.py b/tests/test_main.py index 71b32a7..1a9ed1e 100644 --- a/tests/test_main.py +++ b/tests/test_main.py @@ -1,5 +1,6 @@ from pathlib import Path from pyxems.main import PyXEMSConfig, write_openEMS_xml +from pyxems.csx import Color import logging @@ -157,5 +158,40 @@ def test_generate_simp_patch(tmp_path: Path): 100, ): oems_config.csx.add_line("Z", k) + oems_config.csx.add_property( + "Metal", "patch", Color(41, 35, 190), Color(41, 35, 190, 255) + ) + oems_config.csx.add_box( + start=(-16, -20, 1.524), + stop=(16, 20, 1.524), + priority=10, + property_id=0, + ) + oems_config.csx.add_property( + "Material", + "substrate", + Color(132, 225, 108, 123), + Color(132, 225, 108, 123), + eps=3.38, + kappa=4.606928e-4, + ) + oems_config.csx.add_box( + start=(-30, -30, 0), + stop=(30, 30, 1.524), + priority=0, + property_id=1, + ) + oems_config.csx.add_property( + "Metal", + "gnd", + Color(214, 174, 82), + Color(214, 174, 82), + ) + oems_config.csx.add_box( + start=(-30, -30, 0), + stop=(30, 30, 0), + priority=10, + property_id=2, + ) write_openEMS_xml(tmp_path / "openEMS_config.xml", oems_config) assert (tmp_path / "openEMS_config.xml").read_text() == ref.read_text() diff --git a/tests/test_run.py b/tests/test_run.py index 812c34b..1d901ce 100644 --- a/tests/test_run.py +++ b/tests/test_run.py @@ -1,7 +1,9 @@ from pathlib import Path -from pyxems.run import simulate +from pyxems.run import simulate, check_config +import pytest +@pytest.mark.skipif(not check_config(), reason="OpenEMS exe not found.") def test_simulate(tmp_path: Path): config_path = Path(__file__).parent / "data" / "simp_patch.xml" result = simulate(config_path, tmp_path) diff --git a/uv.lock b/uv.lock index 25548e4..f398fa9 100644 --- a/uv.lock +++ b/uv.lock @@ -92,6 +92,15 @@ wheels = [ { url = 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