Inital commit of python bindings

CMakeLists.txt

+cmake_minimum_required(VERSION 3.15...3.22)
+
+project(eisgeneratorpy VERSION "1.0")
+
+if(SKBUILD)
+  # Scikit-Build does not add your site-packages to the search path
+  # automatically, so we need to add it _or_ the pybind11 specific directory
+  # here.
+  execute_process(
+    COMMAND "${PYTHON_EXECUTABLE}" -c
+            "import pybind11; print(pybind11.get_cmake_dir())"
+    OUTPUT_VARIABLE _tmp_dir
+    OUTPUT_STRIP_TRAILING_WHITESPACE COMMAND_ECHO STDOUT)
+  list(APPEND CMAKE_PREFIX_PATH "${_tmp_dir}")
+endif()
+
+# Now we can find pybind11
+find_package(pybind11 CONFIG REQUIRED)
+
+pybind11_add_module(_core MODULE src/main.cpp)
+
+target_compile_definitions(_core PRIVATE VERSION_INFO=${PROJECT_VERSION})
+target_link_libraries(_core PUBLIC -leisgenerator)
+
+install(TARGETS _core DESTINATION .)

example/example.py

+#!/bin/python
+
+import eisgeneratorpy as eis
+
+def printData(data):
+	print('Omega, Re, Im')
+	for i in data:
+		print(f'{i.omega},{i.im.real},{i.im.imag}')
+
+model = eis.Model("C{1e-6}R{1e3}")
+
+eis.Log.level = eis.Log.level.DEBUG
+print(f'set log level: {eis.Log.level}')
+
+with eis.ostream_redirect(stdout=True, stderr=True):
+	data = model.execute(1e6)
+print(data.im)
+
+ranges = list([])
+neededParameters = model.getFlatParametersCount()
+for i in range(neededParameters):
+	ranges.append(eis.Range(1, 1000, 1000, True))
+
+omegaRange = eis.Range(1, 1000, 25, True)
+
+print('Ranges:')
+for eisRange in ranges:
+	print(f'{eisRange.start} {eisRange.end} {eisRange.count}')
+
+neededIterations = model.getRequiredStepsForSweeps(list(ranges))
+print(f'will need {neededIterations} iterations')
+for i in range(neededIterations):
+	#print(f'Spectra {i}:')
+	sweep = model.executeParamByIndex(ranges, omegaRange, i)
+	#printData(sweep)

noxfile.py

+import nox
+
+nox.options.sessions = ["lint", "tests"]
+
+
+@nox.session
+def lint(session: nox.Session) -> None:
+    """
+    Run the linter.
+    """
+    session.install("pre-commit")
+    session.run("pre-commit", "run", "--all-files", *session.posargs)
+
+
+@nox.session
+def tests(session: nox.Session) -> None:
+    """
+    Run the unit and regular tests.
+    """
+    session.install(".[test]")
+    session.run("pytest", *session.posargs)

setup.py

+import sys
+
+try:
+    from skbuild import setup
+except ImportError:
+    print(
+        "Please update pip, you need pip 10 or greater,\n"
+        " or you need to install the PEP 518 requirements in pyproject.toml yourself",
+        file=sys.stderr,
+    )
+    raise
+
+from setuptools import find_packages
+
+setup(
+    name="eisgeneratorpy",
+    version="0.0.1",
+    description="a minimal example package (with pybind11)",
+    author="Henry Schreiner",
+    license="MIT",
+    packages=find_packages(where="src"),
+    package_dir={"": "src"},
+    cmake_install_dir="src/eisgeneratorpy",
+    include_package_data=True,
+    python_requires=">=3.6",
+)

src/eisgeneratorpy/__init__.py

+from ._core import __doc__, __version__, Model, DataPoint, Range, Log, ostream_redirect

src/main.cpp

+#include <pybind11/pybind11.h>
+#include <pybind11/complex.h>
+#include <pybind11/stl.h>
+#include <pybind11/stl_bind.h>
+#include <pybind11/iostream.h>
+
+#include <eisgenerator/model.h>
+#include <eisgenerator/eistype.h>
+#include <eisgenerator/log.h>
+#include <vector>
+
+namespace py = pybind11;
+
+using namespace eis;
+
+PYBIND11_MODULE(_core, m)
+{
+	py::class_<Model>(m, "Model")
+		.def(py::init<const std::string&>())
+		.def("execute", &Model::execute)
+		.def("executeSweep", &Model::executeSweep)
+		.def("executeParamByIndex", &Model::executeParamByIndex)
+		.def_static("getRequiredStepsForSweeps", &Model::getRequiredStepsForSweeps)
+		.def("getFlatParametersCount", &Model::getFlatParametersCount);
+	py::class_<DataPoint>(m, "DataPoint")
+		.def_readwrite("omega", &DataPoint::omega)
+		.def_readwrite("im", &DataPoint::im);
+	py::class_<Range>(m, "Range")
+		.def(py::init<fvalue, fvalue, size_t, bool>(),  py::arg("logI") = false)
+		.def_readwrite("start", &Range::start)
+		.def_readwrite("end", &Range::end)
+		.def_readwrite("count", &Range::count)
+		.def_readwrite("log", &Range::log);
+	py::class_<Log>(m, "Log")
+		.def_readwrite_static("level", &Log::level);
+	py::enum_<Log::Level>(m, "Level")
+		.value("DEBUG", Log::DEBUG)
+		.value("INFO", Log::INFO)
+		.value("WARN", Log::WARN)
+		.value("ERROR", Log::ERROR);
+	m.def("testVector", &testVector);
+	py::add_ostream_redirect(m, "ostream_redirect");
+	m.attr("__version__") = "1.0";
+}