added information to fdf file, more to come

we should add more of these here and there.
fdf content will still only be shown when 'track' is
True

Signed-off-by: Nick Papior <[email protected]>

pyproject.toml

@@ -280,6 +280,7 @@ known_first_party = ["sisl_toolbox", "sisl"]
 line_length = 88
 overwrite_in_place = true
 extend_skip = ["src/sisl/__init__.py"]
+multi_line_output = "VERTICAL_HANGING_INDENT"
 
 [tool.black]
 line-length = 88

src/sisl/io/_exceptions.py

@@ -12,6 +12,7 @@
     "SileError",
     "SileWarning",
     "SileInfo",
+    "MissingInputSileException",
     "MissingInputSileError",
     "MissingInputSileInfo",
     "MissingInputSileWarning",
@@ -61,10 +62,7 @@ class MissingInputSileException(SislException):
     """
 
     def __init__(
-        self,
-        executable: str,
-        inputs: InputsType,
-        method: Callable,
+        self, executable: str, inputs: InputsType, method: Callable, msg: str = ""
     ):
         # Formulate the error message
         try:
@@ -80,7 +78,7 @@ def parse(v):
         str_except = "\n".join(map(parse, inputs))
 
         super().__init__(
-            f"Data from method '{name}' failed due to missing output values.\n\n"
+            f"{msg}\nData from method '{name}' failed due to missing output values.\n\n"
             f"This is because of missing options in the input file for executable {executable}.\n"
             f"Please read up on the following flags in the manual of '{executable}' to figure out "
             f"how to retrieve the expected quantities:\n{str_except}"