Formatting

CADETPythonSimulator/__init__.py

@@ -1,3 +1,3 @@
 # Version information
 name = "CADET-Python-Simulator"
-__version__ = "0.0.1"
+__version__ = "0.0.1"

CADETPythonSimulator/coupling_interface.py

@@ -3,7 +3,7 @@
 from CADETPythonSimulator.unit_operation import UnitOperationBase
 
 
-class coupling_interface(abc.ABC):
+class CouplingInterface(abc.ABC):
     @abc.abstractmethod
     def get_coupled_state(self,
                           origin_list: list[(dict, float)],
@@ -13,7 +13,7 @@ def get_coupled_state(self,
 
 
 
-class average_coupling(coupling_interface):
+class AverageCoupling(CouplingInterface):
 
     def get_coupled_state(self,
                           origin_list: list[(dict, float)],

CADETPythonSimulator/exception.py

@@ -1,8 +1,10 @@
 class CADETPythonSimError(Exception):
-    """Typical Exception for Error Handling"""
+    """Typical Exception for Error Handling."""
+
     pass
 
 
 class NotInitializedError(CADETPythonSimError):
     """Exception raised when a unit operation is not yet initialized."""
+
     pass

CADETPythonSimulator/rejection.py

@@ -9,7 +9,8 @@ class RejectionBase(Structure):
 
     @abstractmethod
     def get_rejection(self, mw: float) -> float:
-        """Get rejection for a species with specific molecular weight.
+        """
+        Get rejection for a species with specific molecular weight.
 
         Parameters
         ----------
@@ -34,12 +35,14 @@ class StepCutOff(RejectionBase):
     cutoff_weight : float
         Cutoff size. All molecules smaller than the size will pass through the filter.
         All molecules larger or equal than the cutoff will be retained.
+
     """
 
     cutoff_weight = UnsignedFloat()
 
     def get_rejection(self, mw: float) -> float:
-        """Get rejection for a species with specific molecular weight.
+        """
+        Get rejection for a species with specific molecular weight.
 
         Parameters
         ----------

CADETPythonSimulator/residual.py

@@ -24,10 +24,12 @@ def calculate_residual_volume_cstr(
         Volume entering the Unit
     Q_out : float
         Volume leaving the Unit
+
     Returns
     -------
     float
-        Residual of the Flow equation of the CSTR with dimensions like the inpu
+        Residual of the Flow equation of the CSTR with dimensions like the input
+
     """
     if V < 0:
         raise CADETPythonSimError("V can't be less then zero")
@@ -63,6 +65,7 @@ def calculate_residual_concentration_cstr(
         Volume leaving the Unit
     c_in : np.ndarray
         Initial concentration
+
     """
     if V < 0:
         raise CADETPythonSimError("V can't be less then zero")
@@ -91,12 +94,15 @@ def calculate_residual_cake_vol_def(
     ----------
     V_dot_f : float
         Flowrate of incoming feed
-    rejection : float
+    rejection : np.ndarray
         Rejection of the filter
-    gamma : float
-        Portion of suspended material
+    molar_volume : np.ndarray
+        Volume of suspended material
+    c_in : np.array
+        Incoming Concentration
     V_dot_C : float
         Change of Cake Volume
+
     """
     return -V_dot_C + np.sum(rejection * molar_volume * c_in * V_dot_f)
 
@@ -111,8 +117,10 @@ def calculate_residual_press_easy_def(
         alpha: float
         ) -> float:
     """
-    Calculate the residual equations fo a dead end filtration equation for the pressure
-    in the easy model.
+    Calculate the residual equations.
+
+    Calculates the residual equation for a dead end filtration equation
+    for the pressure in the easy model.
 
     Parameters
     ----------
@@ -130,6 +138,7 @@ def calculate_residual_press_easy_def(
         resistance of the medium
     alpha : float
         Specific cake resistance
+
     """
     hyd_resistance = (Rm + alpha*V_C/A) * mu
 
@@ -138,9 +147,7 @@ def calculate_residual_press_easy_def(
 
 
 def calculate_residual_visc_def():
-    """
-    Calculate the residual of the Viscosity equation of the CSTR.
-    """
+    """Calculate the residual of the Viscosity equation of the CSTR."""
     warnings.warn("Viscosity of def not yet implemented")
 
     return 0

CADETPythonSimulator/solver.py

@@ -11,7 +11,10 @@
 
 
 class Solver(Structure):
+    """Solver Class to solve a System."""
+
     def __init__(self, system: SystemBase, sections: list[dict]):
+        """Construct the Solver Class."""
         self.initialize_solver()
 
         self._system = system
@@ -32,6 +35,7 @@ def initialize_solver(self, solver: str = 'ida') -> NoReturn:
         ----------
         solver : str, optional
             Solver to use for integration. The default is `ida`.
+
         """
         if solver not in ['ida']:
             raise ValueError(f"{solver} is not a supported solver.")
@@ -46,7 +50,7 @@ def _compute_residual(
             r: np.ndarray
             ) -> NoReturn:
         """
-        Compute residual of the system
+        Compute residual of the system.
 
         Parameters
         ----------
@@ -58,6 +62,7 @@ def _compute_residual(
             State derivative to evaluate
         r : np.ndarray
             Array to save the calculated residual
+
         """
         self._system.y = y
         self._system.y_dot = y_dot
@@ -95,6 +100,7 @@ def write_solution(self, y: np.ndarray, y_dot: np.ndarray) -> NoReturn:
             The current complete state of the system as a NumPy array.
         y_dot : np.ndarray
             The current complete derivative of the system's state as a NumPy array.
+
         """
         for unit, unit_slice in self.unit_slices.items():
             current_state = unit.y_split
@@ -116,7 +122,7 @@ def write_solution(self, y: np.ndarray, y_dot: np.ndarray) -> NoReturn:
 
     def solve(self) -> NoReturn:
         """Simulate the system."""
-        self.initialize_system() #TODO: Has to point to system.initialize() 
+        self.initialize_system() #TODO: Has to point to system.initialize()
         self.initialize_solution_recorder()
         self.write_solution()
 
@@ -145,6 +151,7 @@ def solve_section(
         section : Dict
             The time points at which the solution is sought.
         #TODO: Consider creating a section class instead of using Addict
+
         """
         self._update_unit_operation_parameters(
             section.start,
@@ -174,7 +181,6 @@ def _update_unit_operation_parameters(
             section_states: dict[UnitOperationBase, dict]
             ) -> np.ndarray:
         """
-
         Update time dependent unit operation parameters.
 
         Parameters

CADETPythonSimulator/state.py

@@ -27,6 +27,7 @@ class State(Structure):
         The name of the state
     s : np.ndarray
         The state array, initialized as zeros based on the computed shape.
+
     """
 
     name = String()
@@ -69,7 +70,7 @@ def n_dimensions(self) -> int:
 
     @property
     def dimension_shape(self) -> tuple[int, ...]:
-        """tuple of int: Return the shape derived from dimensions."""
+        """Tuple of int: Return the shape derived from dimensions."""
         return tuple(self.dimensions.values())
 
     @property
@@ -84,7 +85,7 @@ def n_entries(self) -> int:
 
     @property
     def shape(self) -> tuple[int, ...]:
-        """tuple of int: Return the complete shape of the state array."""
+        """Tuple of int: Return the complete shape of the state array."""
         shape = self.dimension_shape + (self.n_entries,)
         if isinstance(shape, int):
             shape = (shape, )
@@ -115,6 +116,7 @@ def s_split(self) -> dict[str, np.ndarray]:
         Dict[str, np.ndarray]
             A dictionary where each key is an entry name and the value is the
             corresponding segment of the state array.
+
         """
         s_split = {}
         start_index = 0
@@ -180,7 +182,8 @@ def set_inlet_port_state(
         Raises
         ------
         Exception
-            If port index exceeds number of inlet ports.
+            If port index exceeds number of inlet ports.#
+
         """
         if port_index > (self.n_inlet_ports - 1):
             raise Exception("Port index exceeds number of inlet ports.")
@@ -229,6 +232,7 @@ def get_outlet_port_state(
         ------
         Exception
             If port index exceeds number of outlet ports.
+
         """
         if port_index > (self.n_outlet_ports - 1):
             raise ValueError("Port index exceeds number of outlet ports.")
@@ -265,7 +269,7 @@ def __getitem__(self, entry) -> np.ndarray:
 
         Parameters
         ----------
-        state_name : str
+        entry : str
             Name of the state entry.
 
         Returns
@@ -277,6 +281,7 @@ def __getitem__(self, entry) -> np.ndarray:
         ------
         KeyError
             If entry not in State
+
         """
         try:
             return self.s_split[entry]
@@ -300,6 +305,7 @@ def __setitem__(self, entry, value: np.ndarray) -> None:
             If entry is not in State.
         ValueError
             If the shape of the value does not match the expected shape for the entry.
+
         """
         if entry not in self.entries:
             raise KeyError('Not a valid state.')
@@ -347,6 +353,8 @@ def state_factory(
 
     Parameters
     ----------
+    instance : Any
+        instance to initialize
     name : str
         Name of the state
     dimensions : int or tuple
@@ -355,6 +363,11 @@ def state_factory(
     entries : dict
         The state entries at each cell. Individual elements can be either
         integers or strings (indicating other instance parameters).
+    n_inlet_ports: int | str
+        Noumber of inlet Ports
+    n_outlet_ports: int | str
+        Number of outlet Ports
+
     """
     dimensions = {
         dim: getattr(instance, dim) for dim in dimensions