Finnaly manage to support torch script exection

Note: for varous reasons torchScript compilation va torch.jit was not possible,
on the python side the system insits on file resident code for traceing, with no recourse
on the c++ the object is subltly different from the code used internally in the compile
performed after traceing, breaking pytorchs usual bindings.
By shipping own code based on the traceing path in an c++ torch extension the c++ path to
torch::jit compilation would be possible, but this is a lot of effort.

instead the usual cpython and pytoch -> libtorch is used instead this negatively affects performance
when compeared to the usual case of torch::jit::compile used when using eisgenerator directly from c++

CMakeLists.txt

@@ -3,9 +3,6 @@ cmake_minimum_required(VERSION 3.22)
 project(eisgenerator 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 "${PYTHON_EXECUTABLE}" -c
 		"import pybind11; print(pybind11.get_cmake_dir())"
@@ -14,12 +11,12 @@ if(SKBUILD)
 	list(APPEND CMAKE_PREFIX_PATH "${_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/exampleTorch.py

+#!/bin/python
+
+import eisgenerator as eis
+import torch
+
+eis.Log.level = eis.Log.level.ERROR
+print(f'set log level: {eis.Log.level}')
+
+model = eis.Model("cr")
+print(f"model: {model}")
+
+script = model.getTorchScript()
+print(f'TorchScript:\n{script}')
+
+eis.compileModel(model)
+
+modelFn = eis.getModelFunction(model)
+
+parameters = torch.empty((2))
+parameters[0] = 1e-6
+parameters[1] = 100
+omegas = torch.logspace(0, 5, 10)
+
+print(modelFn(parameters, omegas))

src/eisgenerator/__init__.py

 from ._core import __doc__, __version__, Model, DataPoint, Range, Log, ParseError, FileError, eisDistance, EisSpectra, eisNyquistDistance, ostream_redirect
+from .execute import compileModel, getModelFunction

src/eisgenerator/execute.py

+from ._core import Model, Log
+
+models = dict()
+
+def compileModel(model: Model) -> bool:
+	try:
+		import torch
+	except  ModuleNotFoundError:
+		Log.print("Could not import torch, torch must be availble to compile a torch model.", Log.level.ERROR)
+		return False
+
+	script = model.getTorchScript()
+	if len(script) == 0:
+		Log.print("eisgenerator reports that this model can not be executed as a torch script.", Log.level.ERROR)
+		return False
+
+	try:
+		exec(script)
+		fn_name = model.getCompiledFunctionName()
+		models[fn_name] = locals()[fn_name]
+	except SyntaxError as err:
+		Log.print(f'could not compile model: {err}', Log.level.ERROR)
+		return False
+
+	return True
+
+
+def getModelFunction(model: Model):
+	fn_name = model.getCompiledFunctionName()
+
+	if fn_name not in models:
+		Log.print("You must first compile a model before getting its function", Log.level.ERROR)
+		return None
+
+	return models[fn_name]
+
+

src/main.cpp

@@ -29,6 +29,11 @@ std::string reprDataPoint(const DataPoint& dp)
 	return ss.str();
 }
 
+void logPrint(const std::string& str, Log::Level level)
+{
+	Log(level)<<str;
+}
+
 PYBIND11_MODULE(_core, m)
 {
 	py::class_<Model>(m, "Model")
@@ -94,13 +99,14 @@ PYBIND11_MODULE(_core, m)
 		.def("getFvalueLabels", &EisSpectra::getFvalueLabels)
 		.def("saveToDisk", &EisSpectra::saveToDisk)
 		.def("__repr__", &reprEisSpectra);
-	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);
+	py::class_<Log>(m, "Log")
+		.def_readwrite_static("level", &Log::level)
+		.def_static("print", &logPrint, py::arg("string"), py::arg("level"));
 	py::register_exception<parse_errror>(m, "ParseError");
 	py::register_exception<file_error>(m, "FileError");
 	py::add_ostream_redirect(m, "ostream_redirect");