Dev Update (#582)

* Fix adaptive refinement (#571)


---------

Co-authored-by: Dario Coscia <93731561+dario-coscia@users.noreply.github.com>

* Remove collector

* Fixes

* Fixes

* rm unnecessary comment

* fix advection (#581)

* Fix tutorial .html link (#580)

* fix problem data collection for v0.1 (#584)

* Message Passing Module (#516)

* add deep tensor network block

* add interaction network block

* add radial field network block

* add schnet block

* add equivariant network block

* fix + tests + doc files

* fix egnn + equivariance/invariance tests

Co-authored-by: Dario Coscia <dariocos99@gmail.com>

---------

Co-authored-by: giovanni <giovanni.canali98@yahoo.it>
Co-authored-by: AleDinve <giuseppealessio.d@student.unisi.it>

* add type checker (#527)

---------

Co-authored-by: Filippo Olivo <filippo@filippoolivo.com>
Co-authored-by: Giovanni Canali <115086358+GiovanniCanali@users.noreply.github.com>
Co-authored-by: giovanni <giovanni.canali98@yahoo.it>
Co-authored-by: AleDinve <giuseppealessio.d@student.unisi.it>

pina/type_checker.py

@@ -0,0 +1,93 @@
+"""Module for enforcing type hints in Python functions."""
+
+import inspect
+import typing
+import logging
+
+
+def enforce_types(func):
+    """
+    Function decorator to enforce type hints at runtime.
+
+    This decorator checks the types of the arguments and of the return value of
+    the decorated function against the type hints specified in the function
+    signature. If the types do not match, a TypeError is raised.
+    Type checking is only performed when the logging level is set to `DEBUG`.
+
+    :param Callable func: The function to be decorated.
+    :return: The decorated function with enforced type hints.
+    :rtype: Callable
+
+    :Example:
+
+    >>> @enforce_types
+        def dummy_function(a: int, b: float) -> float:
+        ... return a+b
+
+        # This always works.
+        dummy_function(1, 2.0)
+
+        # This raises a TypeError for the second argument, if logging is set to
+        # `DEBUG`.
+        dummy_function(1, "Hello, world!")
+
+
+    >>> @enforce_types
+        def dummy_function2(a: int, right: bool) -> float:
+        ... if right:
+        ...     return float(a)
+        ... else:
+        ...     return "Hello, world!"
+
+        # This always works.
+        dummy_function2(1, right=True)
+
+        # This raises a TypeError for the return value if logging is set to
+        # `DEBUG`.
+        dummy_function2(1, right=False)
+    """
+
+    def wrapper(*args, **kwargs):
+        """
+        Wrapper function to enforce type hints.
+
+        :param tuple args: Positional arguments passed to the function.
+        :param dict kwargs: Keyword arguments passed to the function.
+        :raises TypeError: If the argument or return type does not match the
+            specified type hints.
+        :return: The result of the decorated function.
+        :rtype: Any
+        """
+        level = logging.getLevelName(logging.getLogger().getEffectiveLevel())
+
+        # Enforce type hints only in debug mode
+        if level != "DEBUG":
+            return func(*args, **kwargs)
+
+        # Get the type hints for the function arguments
+        hints = typing.get_type_hints(func)
+        sig = inspect.signature(func)
+        bound = sig.bind(*args, **kwargs)
+        bound.apply_defaults()
+
+        for arg_name, arg_value in bound.arguments.items():
+            expected_type = hints.get(arg_name)
+            if expected_type and not isinstance(arg_value, expected_type):
+                raise TypeError(
+                    f"Argument '{arg_name}' must be {expected_type.__name__}, "
+                    f"but got {type(arg_value).__name__}!"
+                )
+
+        # Get the type hints for the return values
+        return_type = hints.get("return")
+        result = func(*args, **kwargs)
+
+        if return_type and not isinstance(result, return_type):
+            raise TypeError(
+                f"Return value must be {return_type.__name__}, "
+                f"but got {type(result).__name__}!"
+            )
+
+        return result
+
+    return wrapper