Add type annotations

Fix Annotations

Fix annotations and Remove unused annotations

CADETProcess/processModel/componentSystem.py

@@ -1,16 +1,15 @@
 from collections import defaultdict
 from functools import wraps
+from typing import List, Dict as TypingDict
 
 from addict import Dict
 
 from CADETProcess import CADETProcessError
 from CADETProcess.dataStructure import Structure
 from CADETProcess.dataStructure import String, Integer, UnsignedFloat
 
-
 __all__ = ['ComponentSystem', 'Component', 'Species']
 
-
 class Species(Structure):
     """Species class.
 
@@ -28,10 +27,10 @@ class Species(Structure):
         Density of the species.
 
     """
-    name = String()
-    charge = Integer(default=0)
-    molecular_weight = UnsignedFloat()
-    density = UnsignedFloat()
+    name: String = String()
+    charge: Integer = Integer(default=0)
+    molecular_weight: UnsignedFloat = UnsignedFloat()
+    density: UnsignedFloat = UnsignedFloat()
 
 
 class Component(Structure):
@@ -62,16 +61,16 @@ class Component(Structure):
     ComponentSystem
 
     """
-    name = String()
+    name: String = String()
 
     def __init__(
-            self,
-            name=None,
-            species=None,
-            charge=None,
-            molecular_weight=None,
-            density=None
-            ):
+        self,
+        name: str | None = None,
+        species: str | List[str | None] = None,
+        charge: int | List[int | None] = None,
+        molecular_weight: float| List[float | None] = None,
+        density: List[float | None] = None
+    ) -> None:
         """
         Parameters
         ----------
@@ -86,8 +85,8 @@ def __init__(
         density : list
             Density of component (including species).
         """
-        self.name = name
-        self._species = []
+        self.name: str | None = name
+        self._species: List[Species] = []
 
         if species is None:
             self.add_species(name, charge, molecular_weight, density)
@@ -106,12 +105,17 @@ def __init__(
             raise CADETProcessError("Could not determine number of species")
 
     @property
-    def species(self):
+    def species(self) -> List[Species]:
         """list: The subspecies of the component."""
         return self._species
 
     @wraps(Species.__init__)
-    def add_species(self, species, *args, **kwargs):
+    def add_species(
+        self,
+        species: str| Species ,
+        *args,
+        **kwargs
+    ) -> Species:
         """
         Add a subspecies to the component.
 
@@ -130,33 +134,34 @@ def add_species(self, species, *args, **kwargs):
         if not isinstance(species, Species):
             species = Species(species, *args, **kwargs)
         self._species.append(species)
+        return species
 
     @property
-    def n_species(self):
+    def n_species(self) -> int:
         """int: The number of subspecies in the component."""
         return len(self.species)
 
     @property
-    def label(self):
+    def label(self) -> List[str]:
         """list of str: The names of the subspecies."""
         return [spec.name for spec in self.species]
 
     @property
-    def charge(self):
+    def charge(self) -> List[int | None]:
         """list of int or None: The charges of the subspecies."""
         return [spec.charge for spec in self.species]
 
     @property
-    def molecular_weight(self):
+    def molecular_weight(self) -> List[float | None]:
         """list of float or None: The molecular weights of the subspecies."""
         return [spec.molecular_weight for spec in self.species]
 
     @property
-    def density(self):
+    def density(self) -> List[float | None]:
         """list of float or None: The density of the subspecies."""
         return [spec.density for spec in self.species]
 
-    def __str__(self):
+    def __str__(self) -> str:
         """String representation of the component."""
         return self.name
 
@@ -201,41 +206,41 @@ class ComponentSystem(Structure):
     Component
 
     """
-    name = String()
+    name: String = String()
 
     def __init__(
-            self,
-            components=None,
-            name=None, 
-            charges=None,
-            molecular_weights=None,
-            densities=None
-        ):
+        self,
+        components: int | List[str | Component | None] = None,
+        name: str | None = None,
+        charges: List[int | None] = None,
+        molecular_weights: List[float | None] = None,
+        densities: List[float | None] = None
+    ) -> None:
         """Initialize the ComponentSystem object.
 
-        Parameters
-        ----------
-        components : int, list, None
-            The number of components or the list of components to be added.
-            If None, no components are added.
-        name : str, None
-            The name of the ComponentSystem.
-        charges : list, None
-            The charges of each component.
-        molecular_weights : list, None
-            The molecular weights of each component.
-        densities : list, None
-            The densities of each component.
-
-        Raises
-        ------
-        CADETProcessError
-            If the `components` argument is neither an int nor a list.
+            Parameters
+            ----------
+            components : int, list, None
+                The number of components or the list of components to be added.
+                If None, no components are added.
+            name : str, None
+                The name of the ComponentSystem.
+            charges : list, None
+                The charges of each component.
+            molecular_weights : list, None
+                The molecular weights of each component.
+            densities : list, None
+                The densities of each component.
+
+            Raises
+            ------
+            CADETProcessError
+                If the `components` argument is neither an int nor a list.
 
         """
-        self.name = name
 
-        self._components = []
+        self.name: str | None = name
+        self._components: List[Component] = []
 
         if components is None:
             return
@@ -264,35 +269,40 @@ def __init__(
             )
 
     @property
-    def components(self):
+    def components(self) -> List[Component]:
         """list: List of components in the system."""
         return self._components
 
     @property
-    def components_dict(self):
+    def components_dict(self) -> TypingDict[str, Component]:
         """dict: Components indexed by name."""
         return {
             name: comp
             for name, comp in zip(self.names, self.components)
         }
 
     @property
-    def n_components(self):
+    def n_components(self) -> int:
         """int: Number of components."""
         return len(self.components)
 
     @property
-    def n_comp(self):
+    def n_comp(self) -> int:
         """int: Number of species."""
         return self.n_species
 
     @property
-    def n_species(self):
+    def n_species(self) -> int:
         """int: Number of species."""
         return sum([comp.n_species for comp in self.components])
 
     @wraps(Component.__init__)
-    def add_component(self, component, *args, **kwargs):
+    def add_component(
+        self,
+        component: str | Component,
+        *args: list,
+        **kwargs: dict
+    ) -> None:
         """
         Add a component to the system.
 
@@ -317,7 +327,7 @@ def add_component(self, component, *args, **kwargs):
 
         self._components.append(component)
 
-    def remove_component(self, component):
+    def remove_component(self, component: str | Component) -> None:
         """Remove a component from the system.
 
         Parameters
@@ -343,7 +353,7 @@ def remove_component(self, component):
         self._components.remove(component)
 
     @property
-    def indices(self):
+    def indices(self) -> TypingDict[str, List[int]]:
         """dict: List of species indices for each component name."""
         indices = defaultdict(list)
 
@@ -356,7 +366,7 @@ def indices(self):
         return Dict(indices)
 
     @property
-    def species_indices(self):
+    def species_indices(self) -> TypingDict[str, int]:
         """dict: Indices for each species."""
         indices = Dict()
 
@@ -369,7 +379,7 @@ def species_indices(self):
         return indices
 
     @property
-    def names(self):
+    def names(self) -> List[str]:
         """list: List of component names."""
         names = [
             comp.name if comp.name is not None else str(i)
@@ -379,7 +389,7 @@ def names(self):
         return names
 
     @property
-    def species(self):
+    def species(self) -> List[str]:
         """list: List of species names."""
         species = []
         index = 0
@@ -395,7 +405,7 @@ def species(self):
         return species
 
     @property
-    def charges(self):
+    def charges(self) -> List[int | None]:
         """list: List of species charges."""
         charges = []
         for comp in self.components:
@@ -404,7 +414,7 @@ def charges(self):
         return charges
 
     @property
-    def molecular_weights(self):
+    def molecular_weights(self) -> List[float | None]:
         """list: List of species molecular weights."""
         molecular_weights = []
         for comp in self.components:
@@ -413,19 +423,20 @@ def molecular_weights(self):
         return molecular_weights
 
     @property
-    def densities(self):
+    def densities(self) -> List[float | None]:
         """list: List of species densities."""
         densities = []
         for comp in self.components:
             densities += comp.density
 
         return densities
 
-    def __repr__(self):
+    def __repr__(self) -> str:
         return f'{self.__class__.__name__}({self.names})'
 
     def __iter__(self):
         yield from self.components
 
-    def __getitem__(self, item):
+    def __getitem__(self, item: int) -> Component:
         return self._components[item]
+