Exceptions report more information

molsysmt/_private/digestion/argument.py

@@ -2,7 +2,7 @@
 from ..exceptions import WrongGetArgumentError
 
 
-def digest_argument(argument, element):
+def digest_argument(argument, element, caller=""):
     """ Helper function to check the names of keyword
         arguments passed to get function.
 
@@ -14,6 +14,10 @@ def digest_argument(argument, element):
         element: str
             The name of an element.
 
+        caller: str, optional
+            Name of the function or method that is being digested.
+            For debugging purposes.
+
         Returns
         -------
         str
@@ -27,4 +31,4 @@ def digest_argument(argument, element):
     if output_argument in attributes:
         return output_argument
     else:
-        raise WrongGetArgumentError(argument)
+        raise WrongGetArgumentError(argument, caller)

molsysmt/_private/digestion/box.py

@@ -3,12 +3,12 @@
 from ..exceptions import IncorrectShapeError
 
 
-def digest_box(box):
+def digest_box(box, caller=""):
     # TODO: Function doesn't do anything.
     return box
 
 
-def digest_box_values(box_values):
+def digest_box_values(box_values, caller=""):
     """ Checks if box_values has the correct shape.
 
         The array should have shape (n, 3) where n is any integer.
@@ -23,6 +23,10 @@ def digest_box_values(box_values):
         box_values : np.ndarray, list or tuple
             A quantity with the box lengths.
 
+        caller: str, optional
+            Name of the function or method that is being digested.
+            For debugging purposes.
+
         Raises
         ------
         IncorrectShapeError
@@ -37,17 +41,24 @@ def digest_box_values(box_values):
         if shape[0] == 3:
             box_values = np.expand_dims(box_values, axis=0)
         else:
-            raise IncorrectShapeError(expected_shape="(1, 3)", actual_shape=str(shape))
+            raise IncorrectShapeError(expected_shape="(1, 3)",
+                                      actual_shape=str(shape),
+                                      caller=caller)
     elif len(shape) == 2:
         if shape[1] != 3:
-            raise IncorrectShapeError(expected_shape="(n, 3)", actual_shape=str(shape))
+            raise IncorrectShapeError(expected_shape="(n, 3)",
+                                      actual_shape=str(shape),
+                                      caller=caller
+                                      )
     else:
-        raise IncorrectShapeError(expected_shape="(n, 3)", actual_shape=str(shape))
+        raise IncorrectShapeError(expected_shape="(n, 3)",
+                                  actual_shape=str(shape),
+                                  caller=caller)
 
     return box_values
 
 
-def digest_box_lengths_or_angles(box_parameters):
+def digest_box_lengths_or_angles(box_parameters, caller=""):
     """ Checks if box_parameters have the correct shape. Can be used
         to check box_lengths and box_angles.
 
@@ -56,6 +67,10 @@ def digest_box_lengths_or_angles(box_parameters):
         box_parameters : puw.Quantity
             A quantity with the box lengths or box values.
 
+        caller: str, optional
+            Name of the function or method that is being digested.
+            For debugging purposes.
+
         Returns
         -------
         puw.Quantity
@@ -68,15 +83,15 @@ def digest_box_lengths_or_angles(box_parameters):
     """
     unit = puw.get_unit(box_parameters)
     box_parameters = puw.get_value(box_parameters)
-    box_parameters = digest_box_values(box_parameters)
+    box_parameters = digest_box_values(box_parameters, caller)
     return box_parameters * unit
 
 
-def digest_box_lengths(box_lengths):
+def digest_box_lengths(box_lengths, caller=""):
     """ Checks if box_lengths have the correct shape. """
-    return digest_box_lengths_or_angles(box_lengths)
+    return digest_box_lengths_or_angles(box_lengths, caller)
 
 
-def digest_box_angles(box_angles):
+def digest_box_angles(box_angles, caller=""):
     """ Checks if box_angles have the correct shape. """
-    return digest_box_lengths_or_angles(box_angles)
+    return digest_box_lengths_or_angles(box_angles, caller)

molsysmt/_private/digestion/comparison.py

@@ -3,7 +3,7 @@
 from ..exceptions import *
 
 
-def digest_comparison(comparison):
+def digest_comparison(comparison, caller=""):
     # TODO: function doesn't do anything
     return comparison
 

molsysmt/_private/digestion/coordinates.py

@@ -1,7 +1,7 @@
 from ..exceptions import *
 
 
-def digest_coordinates(coordinates):
+def digest_coordinates(coordinates, caller=""):
     # TODO: function doesn't do anything
     return coordinates
 

molsysmt/_private/digestion/digest.py

@@ -47,8 +47,6 @@ def digest(func):
     @functools.wraps(func)
     def wrapper(*args, **kwargs):
 
-        # if not check_args:
-        #     return func(*args, **kwargs)
         if not config.argument_checking:
             return func(*args, **kwargs)
 
@@ -74,7 +72,8 @@ def wrapper(*args, **kwargs):
             if ii >= len(args):
                 break
             try:
-                digested_value = digestion_functions[argument_name](args[ii])
+                digested_value = digestion_functions[argument_name](args[ii],
+                                                                    caller=func.__name__)
             except KeyError:
                 digested_value = args[ii]
             all_args[argument_name] = digested_value
@@ -89,13 +88,16 @@ def wrapper(*args, **kwargs):
         # it will appear in kwargs even if is not
         for argument_name, value in kwargs.items():
             try:
-                digested_value = digestion_functions[argument_name](value)
+                digested_value = digestion_functions[argument_name](value,
+                                                                    caller=func.__name__)
                 all_args[argument_name] = digested_value
             except KeyError:
                 if argument_name in args_names:
                     all_args[argument_name] = value
                 else:
-                    digested_argument_name = digest_argument(argument_name, element_name)
+                    digested_argument_name = digest_argument(argument_name,
+                                                             element_name,
+                                                             caller=func.__name__)
                     all_args[digested_argument_name] = value
 
         return func(**all_args)

molsysmt/_private/digestion/element.py

@@ -25,7 +25,7 @@
 }
 
 
-def digest_element(element):
+def digest_element(element, caller=""):
     """ Helper function to check an element type. Raises a BadCallError
         if the element type is not supported by MolSysMT.
 
@@ -34,6 +34,10 @@ def digest_element(element):
         element : str
             The name of the element.
 
+        caller: str, optional
+            Name of the function or method that is being digested.
+            For debugging purposes.
+
         Raises
         ------
         BadCallError
@@ -44,7 +48,7 @@ def digest_element(element):
         if element_name_lower in elements_from_plural:
             return elements_from_plural[element_name_lower]
         if element_name_lower not in elements:
-            raise WrongElementError("wrong element name")
+            raise WrongElementError(element, caller)
         return element_name_lower
 
-    raise WrongElementError("element is not a string")
+    raise WrongElementError(element, caller)

molsysmt/_private/digestion/engine.py

@@ -16,14 +16,18 @@
 engines_from_lowercase = {ii.lower(): ii for ii in engines}
 
 
-def digest_engine(engine):
+def digest_engine(engine, caller=""):
     """ Check the name of the engine.
 
         Parameters
         ---------
         engine : str
             The name of the engine
 
+        caller: str, optional
+            Name of the function or method that is being digested.
+            For debugging purposes.
+
         Raises
         ------
         BadCallError
@@ -33,6 +37,5 @@ def digest_engine(engine):
         try:
             return engines_from_lowercase[engine.lower()]
         except KeyError:
-            # TODO: create a wrong engine error
-            raise WrongEngineError
-    raise WrongEngineError
+            raise WrongEngineError(engine, caller)
+    raise WrongEngineError(engine, caller)

molsysmt/_private/digestion/form.py

@@ -2,7 +2,7 @@
 from ..exceptions import WrongFormError
 
 
-def digest_form(form):
+def digest_form(form, caller=""):
     """ Checks that the name of the form is correct and
         returns its name capitalized. For example, if
         form is mdanalysis.universe it returns mdanalysis.Universe.
@@ -12,6 +12,10 @@ def digest_form(form):
         form: str or list[str]
             The name or names of the forms
 
+        caller: str, optional
+            Name of the function or method that is being digested.
+            For debugging purposes.
+
         Returns
         -------
          str or list[str]
@@ -30,11 +34,11 @@ def digest_form(form):
             try:
                 return _dict_forms_lowercase[form.lower()]
             except KeyError:
-                raise WrongFormError(form)
+                raise WrongFormError(form, caller)
 
 
-def digest_to_form(to_form):
+def digest_to_form(to_form, caller=""):
 
     if to_form is None:
         return None
-    return digest_form(to_form)
+    return digest_form(to_form, caller)

molsysmt/_private/digestion/indices.py

@@ -3,14 +3,18 @@
 from ..lists_and_tuples import is_list_or_tuple
 
 
-def digest_indices(indices):
+def digest_indices(indices, caller=""):
     """ Checks if indices are of the expected type and value.
 
         Parameters
         ----------
         indices : str or int or list or tuple or range.
             The indices
 
+        caller: str, optional
+            Name of the function or method that is being digested.
+            For debugging purposes.
+
         Returns
         -------
         str or np.ndarray
@@ -28,35 +32,35 @@ def digest_indices(indices):
         if indices.lower() == 'all':
             return 'all'
         else:
-            raise WrongIndicesError
+            raise WrongIndicesError(type(indices), caller)
     elif isinstance(indices, (int, np.int64, np.int32)):
         indices = np.array([indices], dtype='int64')
     elif isinstance(indices, (np.ndarray, list, tuple, range)):
         indices = np.array(indices, dtype='int64')
     else:
-        raise WrongIndicesError
+        raise WrongIndicesError(type(indices), caller)
 
     return indices
 
 
-def digest_atom_indices(atom_indices):
+def digest_atom_indices(atom_indices, caller=""):
     """ Checks if atom indices are of the expected type and value. """
-    return digest_indices(atom_indices)
+    return digest_indices(atom_indices, caller)
 
 
-def digest_group_indices(group_indices):
+def digest_group_indices(group_indices, caller=""):
     """ Checks if group indices are of the expected type and value. """
-    return digest_indices(group_indices)
+    return digest_indices(group_indices, caller)
 
 
-def digest_structure_indices(structure_indices):
+def digest_structure_indices(structure_indices, caller=""):
     """ Checks if structure indices are of the expected type and value. """
-    return digest_indices(structure_indices)
+    return digest_indices(structure_indices, caller)
 
 
-def digest_multiple_structure_indices(structure_indices):
+def digest_multiple_structure_indices(structure_indices, caller=""):
     """ Checks multiple structure indices. """
     if is_list_or_tuple(structure_indices):
-        return [digest_structure_indices(ii) for ii in structure_indices]
+        return [digest_structure_indices(ii, caller) for ii in structure_indices]
     else:
-        return digest_structure_indices(structure_indices)
+        return digest_structure_indices(structure_indices, caller)

molsysmt/_private/digestion/item.py

@@ -1,7 +1,7 @@
 from ..exceptions import WrongFormError
 
 
-def digest_item(item, form):
+def digest_item(item, form, caller=""):
     """ Check if an item has the expected form.
 
         Examples
@@ -18,6 +18,10 @@ def digest_item(item, form):
         form : str
             Name of the form
 
+        caller: str, optional
+            Name of the function or method that is being digested.
+            For debugging purposes.
+
         Raises
         ------
         WrongFormError
@@ -29,4 +33,4 @@ def digest_item(item, form):
     try:
         dict_is_form[form](item)
     except KeyError:
-        raise WrongFormError(form)
+        raise WrongFormError(form, caller)