Linting

ifes_apt_tc_data_modeling/rng/rng_reader.py

@@ -52,19 +52,19 @@ def evaluate_rng_range_line(
         raise ValueError(f"Line {line} has inconsistent line prefix!")
     if is_range_significant(np.float64(tmp[1]), np.float64(tmp[2])) is False:
         # raise ValueError(f"Line {line} insignificant range!")
-        return None
+        return info
     info["range"] = np.asarray([tmp[1], tmp[2]], np.float64)
 
     # line encodes multiplicity of element via array of multiplicity counts
     element_multiplicity = np.asarray(tmp[3:len(tmp)], np.uint32)
     if np.sum(element_multiplicity) < 0:
         # raise ValueError(f"Line {line} no element counts!")
-        return None
+        return info
     if np.sum(element_multiplicity) > 0:
         for jdx in np.arange(0, len(element_multiplicity)):
             if element_multiplicity[jdx] < 0:
                 # raise ValueError(f"Line {line} no negative element counts!")
-                return None
+                raise ValueError(f"element_multiplicity[jdx] {element_multiplicity[jdx]} needs to be positive!")
             if element_multiplicity[jdx] > 0:
                 symbol = column_id_to_label[jdx + 1]
                 if symbol in get_chemical_symbols():

ifes_apt_tc_data_modeling/rrng/rrng_reader.py

@@ -47,13 +47,13 @@ def evaluate_rrng_range_line(i: int, line: str) -> dict:
     tmp = re.split(r"[\s=]+", line)
     if len(tmp) < 6:
         # raise ValueError(f"Line {line} does not contain all required fields {len(tmp)}!")
-        return None
+        return info
     if tmp[0] != f"Range{i}":
         # raise ValueError(f"Line {line} has inconsistent line prefix {tmp[0]}!")
-        return None
+        return info
     if is_range_significant(np.float64(tmp[1]), np.float64(tmp[2])) is False:
         # raise ValueError(f"Line {line} insignificant range!")
-        return None
+        return info
     info["range"] = np.asarray([tmp[1], tmp[2]], np.float64)
 
     if tmp[3].lower().startswith("vol:"):
@@ -83,13 +83,13 @@ def evaluate_rrng_range_line(i: int, line: str) -> dict:
             symbol = element_multiplicity[0]
             if (symbol not in chemical_symbols) or (symbol == "X"):
                 # raise ValueError(f"WARNING::Line {line} contains an invalid chemical symbol {symbol}!")
-                return None
+                return info
             # if np.uint32(element_multiplicity[1]) <= 0:
                 # raise ValueError(f"Line {line} zero or negative multiplicity !")
             if np.uint32(element_multiplicity[1]) >= 256:
                 # raise ValueError(f"Line {line} unsupported high multiplicity "
                 #                  f"{np.uint32(element_multiplicity)}!")
-                return None
+                return info
             info["atoms"] = np.append(info["atoms"],
                                       [symbol] * int(element_multiplicity[1]))
     return info

ifes_apt_tc_data_modeling/utils/utils.py

@@ -225,9 +225,9 @@ def symbol_lst_to_matrix_of_nuclide_vector(method: str = "resolve_all",
     if not isinstance(symbol_lst, list) and all(isinstance(lst, list) for lst in symbol_lst):
         raise TypeError("Argument symbol_lst must be a list of lists!")
     if not all(len(np.shape(lst)) == 1 for lst in symbol_lst):
-        "One list in argument symbol_lst is not a 1d list or an empty list!"
+        raise ValueError("One list in argument symbol_lst is not a 1d list or an empty list!")
     if not all(np.shape(lst)[0] >= 1 for lst in symbol_lst):
-        "One list in argument symbol_lst is not a 1d list or an empty list!"
+        raise ValueError("One list in argument symbol_lst is not a 1d list or an empty list!")
     matrix = np.zeros([len(symbol_lst), MAX_NUMBER_OF_ATOMS_PER_ION])
     charge = []
     if (method == "resolve_ion") and ("charge_lst" in kwargs):